Gaussian 16 GINC-GANDULLAS ALCAMI Optimization Chlorfluazuron CONF4 gas EM64L-G16RevC.01 24-Aug-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 43 43 135 135 826 (5D, 7F) 6-311+G(d,p) 123 123 C1[X(C20H9Cl3F5N3O3)] C1[X(C20H9Cl3F5N3O3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 531.5833159999999 0 1 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9323,.6415,2.7945;-1.4749,1.8179,-2.3958;-5.5389,2.6528,.3488;-7.6978,-2.2221,.3217;-7.2575,-2.2322,-1.7795;-6.1884,-3.5522,-.4569;7.2273,1.584,-1.2124;6.3936,-2.5748,.7352;-2.8512,1.5884,.1784;3.0513,.0041,2.491;4.7166,.0625,-1.2892;2.5484,.3452,.2818;4.7125,-.1464,.9784;-3.395,-.5995,-.2204;1.1833,.624,.3267;-1.5391,1.2237,.215;.4,.5046,1.472;.5985,1.0348,-.8708;-.9496,.8,1.3944;-.7509,1.3221,-.9199;-3.7709,.6313,-.0034;-5.6714,-1.2662,-.3503;-5.1152,1.0198,.0535;6.7596,-.4812,-.2333;-6.0718,.0503,-.125;3.3622,.0712,1.3278;-4.3172,-1.5374,-.3906;5.2986,-.1677,-.2529;-6.7026,-2.3261,-.5658;7.6755,.4154,-.7683;7.2571,-1.6889,.2347;9.0273,.1444,-.8227;8.599,-2.0068,.1894;9.4777,-1.0755,-.3418;.8214,.1854,2.4103;1.1926,1.1283,-1.7707;2.9947,.3752,-.6299;-7.1185,.3204,-.0797;-3.944,-2.5389,-.5621;5.2891,-.3279,1.7864;9.7086,.8755,-1.2345;8.9427,-2.9629,.558;10.5335,-1.3044,-.3823; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/alcami/opt-b3lyp-pople.com-6461759/Gau-2052348.inp" -scrdir="/temporal/alcami/opt-b3lyp-pople.com-6461759/" 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 Chlorfluazuron CONF4 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 19 19 19 19 19 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 1 1 1 1 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 2 3 4 5 6 7 8 9 9 10 11 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 21 22 22 22 23 24 24 24 25 27 30 31 32 32 33 33 34 19 20 23 29 29 29 30 31 16 21 26 28 15 26 37 26 28 40 21 27 17 18 19 20 19 35 20 36 23 25 27 29 25 28 30 31 38 39 32 33 34 41 34 42 43 1.7179 1.7171 1.7127 1.3375 1.3378 1.334 1.328 1.3346 1.3623 1.3398 1.2059 1.2106 1.394 1.3534 1.0155 1.4116 1.3639 1.009 1.3051 1.3263 1.3927 1.3945 1.385 1.3852 1.3837 1.077 1.3805 1.0823 1.4005 1.3943 1.3817 1.4944 1.3737 1.4944 1.3889 1.3874 1.0819 1.0823 1.3797 1.3798 1.3864 1.0809 1.3862 1.0808 1.0811 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 16 15 15 26 26 26 28 21 12 12 17 9 9 19 15 15 19 15 15 20 1 1 16 2 2 16 9 9 14 25 25 27 3 3 21 28 28 30 22 22 23 10 10 12 14 14 22 11 11 13 4 4 4 5 5 6 7 7 24 8 8 24 30 30 34 31 31 34 32 32 33 9 12 12 12 13 13 13 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 27 27 27 28 28 28 29 29 29 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 21 26 37 37 28 40 40 27 17 18 18 19 20 20 19 35 35 20 36 36 16 17 17 16 18 18 14 23 23 27 29 29 21 25 25 30 31 31 23 38 38 12 13 13 22 39 39 13 24 24 5 6 22 6 22 22 24 32 32 24 33 33 34 41 41 34 42 42 33 43 43 118.272 127.1912 116.963 115.8208 129.5605 112.094 118.3311 119.212 124.0658 116.2265 119.7056 120.9767 120.4649 118.5063 118.9591 121.4504 119.5901 120.1142 120.6119 119.2734 118.6073 119.5097 121.883 119.0021 120.182 120.8149 119.9037 117.084 123.0122 118.1356 119.6542 122.1989 120.593 121.5421 117.8632 120.2776 122.5238 117.0888 119.1703 121.3513 119.4763 126.9963 118.4752 114.5276 122.6056 115.7796 121.6147 124.2794 121.412 114.3004 106.7325 107.7001 111.2604 107.3633 111.5501 111.9721 118.3111 119.3653 122.3056 118.183 119.2514 122.5629 118.5197 119.9795 121.5007 118.3076 120.1256 121.5662 121.2083 119.3784 119.4133 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 21 21 16 16 26 26 37 37 15 15 37 37 28 28 40 40 26 26 40 40 27 27 21 21 12 12 18 18 12 12 17 17 9 9 20 20 9 9 19 19 15 15 35 35 15 15 36 36 9 9 14 14 27 27 29 29 25 25 29 29 25 25 25 27 27 27 3 3 21 21 30 30 31 31 28 28 31 31 28 28 30 30 7 7 24 24 8 8 24 24 30 30 41 41 31 31 42 42 9 9 9 9 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 16 16 21 21 15 15 15 15 26 26 26 26 26 26 26 26 28 28 28 28 21 21 27 27 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 19 19 19 19 20 20 20 20 23 23 23 23 25 25 25 25 27 27 27 27 29 29 29 29 29 29 25 25 25 25 28 28 28 28 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 34 34 34 34 34 34 34 34 19 20 14 23 17 18 17 18 10 13 10 13 10 12 10 12 11 24 11 24 9 23 22 39 19 35 19 35 20 36 20 36 1 17 1 17 2 18 2 18 1 16 1 16 2 16 2 16 3 25 3 25 23 38 23 38 14 39 14 39 4 5 6 4 5 6 22 38 22 38 11 13 11 13 7 32 7 32 8 33 8 33 34 41 34 41 34 42 34 42 33 43 33 43 32 43 32 43 -85.8546 96.8081 -4.1323 175.7911 -8.0935 172.4337 173.8144 -5.6584 0.8437 -178.8053 178.9545 -0.6944 177.6779 -2.641 -0.8968 178.7843 3.1481 -177.8841 -178.3523 0.6155 179.5948 -0.3238 0.1244 -179.7253 -179.5197 0.2555 -0.0642 179.711 179.5155 -0.2313 0.0183 -179.7285 4.0344 -175.9189 -178.5773 1.4695 -3.7347 175.9014 178.8631 -1.5008 179.3515 -0.6957 -0.428 179.5248 -179.5867 0.7815 0.1635 -179.4684 -0.1777 -179.7212 179.7431 0.1996 -0.3024 -179.7707 -179.105 1.4267 0.1874 -179.9715 178.9578 -1.2012 -44.8967 74.1685 -165.4786 136.3511 -104.5837 15.7692 -179.4168 0.0617 0.1221 179.6006 57.3021 -121.6986 -118.7762 62.2232 4.3155 -177.2383 -179.3983 -0.9521 -2.8352 176.5577 -179.0313 0.3616 179.3495 -0.7008 0.9191 -179.1312 179.62 -0.1216 0.2333 -179.5082 -0.279 179.6903 179.7721 -0.2586 -0.2782 179.7525 179.4594 -0.5098 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 860 A 826 A 1347 860 3873.9287337083 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= 826 RedAO= T EigKep= 1.15D-06 NBF= 826 NBsUse= 822 1.00D-06 EigRej= 8.46D-07 NBFU= 822 Berny optimization. local minimum Step number 21 out of a maximum of 224 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00018 0.00261 0.00385 0.01395 0.01606 0.01676 0.01809 0.01965 0.02059 0.02113 0.02142 0.02183 0.02195 0.02238 0.02246 0.02252 0.02259 0.02271 0.02277 0.02284 0.02286 0.02295 0.02299 0.02302 0.02306 0.02310 0.02318 0.02323 0.02324 0.02341 0.02366 0.02390 0.02422 0.02462 0.02685 0.03293 0.04021 0.05324 0.10718 0.10848 0.15799 0.15881 0.15979 0.16000 0.16001 0.16003 0.16012 0.16051 0.16162 0.20125 0.21896 0.22682 0.22972 0.23252 0.23408 0.23444 0.23516 0.23672 0.24185 0.24434 0.24682 0.24862 0.24966 0.24983 0.24999 0.25000 0.25000 0.25001 0.25003 0.25008 0.25065 0.25121 0.25280 0.25555 0.27195 0.29175 0.31246 0.33304 0.33487 0.33856 0.34268 0.35703 0.35717 0.35757 0.35877 0.35888 0.35894 0.36009 0.38633 0.40164 0.42625 0.43030 0.43418 0.44166 0.44839 0.45220 0.45480 0.45807 0.46327 0.47219 0.47546 0.47637 0.47881 0.48445 0.48505 0.48917 0.49075 0.49986 0.50254 0.52186 0.52780 0.54515 0.56932 0.57723 0.57767 0.57871 0.58846 0.60404 0.62101 0.65571 0.75550 1.01467 1.03215 -3.65219477e-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 R45 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 3.30118 3.30074 3.28960 2.56053 2.56485 2.54924 2.53455 2.55981 2.61016 2.56119 2.29445 2.30749 2.65648 2.57431 1.92646 2.69494 2.60045 1.91003 2.48847 2.52603 2.64354 2.64780 2.63277 2.63529 2.62623 2.03677 2.61872 2.04622 2.66383 2.64510 2.62176 2.83462 2.60776 2.83701 2.64717 2.64071 2.04567 2.04705 2.61769 2.61443 2.63139 2.04456 2.63153 2.04433 2.04656 2.06391 2.22327 2.05426 2.00560 2.26364 1.94224 2.07424 2.07470 2.15740 2.03266 2.09313 2.10947 2.10530 2.06668 2.07644 2.10782 2.09892 2.09250 2.10708 2.08360 2.07651 2.08061 2.12602 2.08287 2.08871 2.11157 2.08751 2.04659 2.14908 2.07290 2.08638 2.12356 2.11170 2.11228 2.05921 2.10138 2.15868 2.02172 2.07390 2.11354 2.09573 2.22030 2.06609 1.99678 2.13657 2.03429 2.11232 2.15469 2.11474 2.01365 1.85564 1.87501 1.94935 1.86802 1.94975 1.96033 2.07737 2.06330 2.14210 2.06643 2.06166 2.15503 2.07525 2.07718 2.13076 2.06547 2.08290 2.13482 2.10666 2.08853 2.08799 -1.59929 1.60649 -0.00704 3.13411 0.00874 -3.13231 3.13828 -0.00277 -0.00736 -3.14152 -3.13719 0.01183 3.09509 -0.05323 0.04004 -3.10828 0.05104 -3.10652 3.10055 -0.05701 -3.14059 0.00147 -0.00157 -3.13827 3.13986 -0.00456 -0.00229 3.13647 -3.13985 0.00449 0.00226 -3.13658 0.08150 -3.07087 -3.12289 0.00792 -0.08084 3.07104 3.12340 -0.00790 3.12790 -0.00288 -0.01088 3.14152 -3.12833 0.00294 0.01055 -3.14137 -0.00284 3.14045 3.13829 -0.00160 -0.00189 -3.13691 -3.11588 0.03229 0.00180 3.13829 3.11518 -0.03152 -0.83827 1.23763 -2.94628 2.33175 -1.87554 0.22374 -3.13813 -0.00304 0.00177 3.13686 0.73678 -2.38924 -2.34562 0.81154 0.08710 -3.08593 -3.10920 0.00094 -0.05877 3.07119 3.13953 -0.01368 3.12140 -0.01836 0.01101 -3.12874 -3.13939 0.00473 0.01380 -3.12527 -0.01099 3.13382 3.12870 -0.00967 -0.00089 3.13749 3.13810 -0.00671 -0.00001 -0.00001 -0.00001 -0.00001 -0.00004 0.00002 -0.00002 -0.00002 0.00002 0.00001 -0.00001 -0.00003 0.00001 -0.00000 -0.00001 -0.00003 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00003 -0.00002 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00003 -0.00002 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00002 0.00003 -0.00002 -0.00000 0.00003 0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00002 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00002 -0.00000 -0.00002 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00001 0.00002 0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00002 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00000 0.00000 0.00001 0.00000 0.00001 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 0.00004 0.00005 -0.00001 -0.00001 -0.00004 -0.00003 -0.00004 -0.00003 -0.00005 0.00002 -0.00005 0.00002 0.00016 0.00010 -0.00001 -0.00007 -0.00004 -0.00008 0.00014 0.00010 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00002 0.00000 0.00001 -0.00001 -0.00002 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00001 0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00004 -0.00005 -0.00001 0.00001 0.00004 0.00005 -0.00042 -0.00041 -0.00040 -0.00046 -0.00045 -0.00044 -0.00000 0.00001 -0.00000 0.00001 -0.00016 -0.00013 -0.00018 -0.00014 -0.00002 -0.00002 -0.00000 -0.00001 0.00000 0.00003 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 -0.00002 -0.00002 -0.00003 -0.00000 -0.00006 0.00005 -0.00004 -0.00004 0.00004 0.00001 -0.00000 -0.00002 0.00001 -0.00000 -0.00001 -0.00006 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00001 -0.00003 -0.00000 0.00001 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00003 -0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00000 0.00000 -0.00000 0.00005 -0.00003 -0.00001 0.00002 0.00002 -0.00000 0.00001 0.00004 -0.00003 -0.00001 0.00001 -0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00002 -0.00002 0.00001 0.00001 -0.00001 -0.00000 0.00002 -0.00002 0.00002 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00002 0.00001 -0.00002 0.00001 -0.00002 0.00000 0.00002 0.00001 -0.00002 0.00000 -0.00001 0.00002 -0.00001 0.00001 -0.00000 -0.00000 0.00003 -0.00002 -0.00001 -0.00000 0.00002 -0.00002 0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00003 0.00003 0.00004 0.00003 0.00000 -0.00001 -0.00012 -0.00029 -0.00008 -0.00026 0.00014 0.00030 -0.00034 -0.00018 -0.00027 -0.00026 0.00024 0.00025 0.00004 -0.00003 -0.00001 0.00003 0.00001 0.00000 0.00002 0.00001 0.00000 -0.00001 -0.00001 -0.00002 -0.00003 -0.00001 -0.00002 0.00000 0.00002 0.00002 0.00001 0.00001 0.00000 -0.00002 0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00005 -0.00003 0.00002 0.00004 -0.00002 -0.00001 -0.00002 -0.00001 0.00003 -0.00001 0.00003 -0.00001 -0.00000 0.00003 0.00003 -0.00000 0.00003 0.00003 0.00000 -0.00000 -0.00001 -0.00002 0.00013 0.00012 0.00015 0.00014 0.00001 -0.00002 -0.00001 -0.00004 0.00006 0.00001 0.00008 0.00003 0.00000 -0.00000 0.00003 0.00003 -0.00005 -0.00004 -0.00000 0.00002 -0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00003 -0.00003 -0.00002 -0.00002 -0.00004 0.00001 -0.00008 0.00008 -0.00007 -0.00004 0.00007 0.00001 0.00000 -0.00002 0.00001 -0.00000 -0.00001 -0.00008 0.00002 -0.00001 -0.00001 0.00001 -0.00001 0.00002 -0.00005 -0.00001 0.00001 -0.00001 -0.00002 -0.00001 -0.00001 0.00002 -0.00002 -0.00005 -0.00001 -0.00002 0.00002 0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00002 -0.00000 -0.00002 -0.00000 0.00000 0.00001 0.00006 -0.00003 -0.00003 0.00004 0.00002 -0.00001 0.00001 0.00005 -0.00004 -0.00000 0.00003 -0.00003 0.00000 -0.00001 0.00001 -0.00000 -0.00000 -0.00002 0.00002 0.00002 -0.00003 0.00001 -0.00001 0.00000 0.00000 0.00002 0.00001 -0.00002 -0.00001 -0.00000 0.00002 -0.00002 -0.00000 0.00002 -0.00003 0.00002 0.00001 -0.00001 -0.00000 0.00001 -0.00002 -0.00001 0.00003 0.00001 -0.00003 0.00002 -0.00003 0.00000 0.00002 0.00001 -0.00004 0.00000 -0.00001 0.00003 -0.00000 0.00001 -0.00000 -0.00001 0.00004 -0.00003 -0.00001 0.00000 0.00002 -0.00002 0.00000 0.00001 -0.00001 0.00002 -0.00001 -0.00000 0.00005 0.00004 -0.00004 0.00002 -0.00000 -0.00000 -0.00004 -0.00004 -0.00017 -0.00028 -0.00013 -0.00024 0.00030 0.00040 -0.00035 -0.00025 -0.00031 -0.00034 0.00038 0.00035 0.00004 -0.00003 -0.00000 0.00002 0.00002 0.00002 0.00002 0.00002 -0.00001 -0.00002 -0.00001 -0.00002 -0.00003 -0.00001 -0.00003 -0.00001 0.00001 0.00002 0.00001 0.00002 0.00001 -0.00001 0.00002 -0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00004 -0.00003 0.00002 0.00004 -0.00002 -0.00002 -0.00006 -0.00006 0.00002 0.00000 0.00007 0.00005 -0.00042 -0.00038 -0.00037 -0.00046 -0.00042 -0.00041 -0.00000 0.00000 -0.00001 -0.00001 -0.00003 -0.00000 -0.00003 0.00000 -0.00001 -0.00004 -0.00002 -0.00005 0.00006 0.00003 0.00007 0.00004 0.00000 0.00000 0.00004 0.00003 -0.00004 -0.00002 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 -0.00002 -0.00003 -0.00004 3.30116 3.30072 3.28956 2.56054 2.56477 2.54932 2.53449 2.55977 2.61023 2.56121 2.29445 2.30747 2.65649 2.57430 1.92645 2.69485 2.60047 1.91001 2.48846 2.52604 2.64352 2.64782 2.63272 2.63528 2.62624 2.03675 2.61870 2.04621 2.66382 2.64511 2.62174 2.83457 2.60775 2.83699 2.64719 2.64073 2.04567 2.04704 2.61768 2.61443 2.63137 2.04455 2.63151 2.04433 2.04656 2.06391 2.22333 2.05422 2.00557 2.26367 1.94227 2.07423 2.07471 2.15744 2.03262 2.09312 2.10950 2.10527 2.06668 2.07643 2.10783 2.09892 2.09250 2.10706 2.08361 2.07652 2.08058 2.12603 2.08286 2.08871 2.11157 2.08753 2.04660 2.14906 2.07289 2.08638 2.12358 2.11168 2.11227 2.05923 2.10135 2.15871 2.02173 2.07390 2.11353 2.09574 2.22027 2.06608 1.99681 2.13658 2.03427 2.11233 2.15466 2.11474 2.01367 1.85566 1.87497 1.94936 1.86801 1.94978 1.96033 2.07739 2.06329 2.14209 2.06647 2.06163 2.15502 2.07525 2.07719 2.13074 2.06547 2.08290 2.13481 2.10667 2.08852 2.08799 -1.59925 1.60654 -0.00709 3.13413 0.00873 -3.13231 3.13824 -0.00281 -0.00753 3.14139 -3.13733 0.01159 3.09539 -0.05284 0.03969 -3.10853 0.05073 -3.10686 3.10094 -0.05665 -3.14055 0.00144 -0.00157 -3.13825 3.13989 -0.00454 -0.00227 3.13649 -3.13987 0.00446 0.00225 -3.13660 0.08147 -3.07088 -3.12292 0.00791 -0.08083 3.07106 3.12341 -0.00789 3.12792 -0.00290 -0.01086 3.14151 -3.12833 0.00293 0.01056 -3.14136 -0.00288 3.14042 3.13832 -0.00157 -0.00190 -3.13693 -3.11593 0.03223 0.00183 3.13829 3.11524 -0.03147 -0.83869 1.23725 -2.94665 2.33129 -1.87596 0.22333 -3.13813 -0.00304 0.00176 3.13685 0.73675 -2.38924 -2.34565 0.81154 0.08709 -3.08598 -3.10922 0.00089 -0.05871 3.07122 3.13960 -0.01365 3.12140 -0.01835 0.01104 -3.12871 -3.13943 0.00471 0.01379 -3.12526 -0.01100 3.13383 3.12870 -0.00967 -0.00089 3.13747 3.13807 -0.00675 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000038 0.000007 0.000714 0.000174 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.820873e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 2 3 4 5 6 7 8 9 9 10 11 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 21 22 22 22 23 24 24 24 25 27 30 31 32 32 33 33 34 19 20 23 29 29 29 30 31 16 21 26 28 15 26 37 26 28 40 21 27 17 18 19 20 19 35 20 36 23 25 27 29 25 28 30 31 38 39 32 33 34 41 34 42 43 1.7469 1.7467 1.7408 1.355 1.3573 1.349 1.3412 1.3546 1.3812 1.3553 1.2142 1.2211 1.4057 1.3623 1.0194 1.4261 1.3761 1.0107 1.3168 1.3367 1.3989 1.4012 1.3932 1.3945 1.3897 1.0778 1.3858 1.0828 1.4096 1.3997 1.3874 1.5 1.38 1.5013 1.4008 1.3974 1.0825 1.0833 1.3852 1.3835 1.3925 1.0819 1.3925 1.0818 1.083 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 16 15 15 26 26 26 28 21 12 12 17 9 9 19 15 15 19 15 15 20 1 1 16 2 2 16 9 9 14 25 25 27 3 3 21 28 28 30 22 22 23 10 10 12 14 14 22 11 11 13 4 4 4 5 5 6 7 7 24 8 8 24 30 30 34 31 31 34 32 32 33 9 12 12 12 13 13 13 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 27 27 27 28 28 28 29 29 29 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 21 26 37 37 28 40 40 27 17 18 18 19 20 20 19 35 35 20 36 36 16 17 17 16 18 18 14 23 23 27 29 29 21 25 25 30 31 31 23 38 38 12 13 13 22 39 39 13 24 24 5 6 22 6 22 22 24 32 32 24 33 33 34 41 41 34 42 42 33 43 43 118.2532 127.3842 117.7003 114.9123 129.6968 111.2823 118.8452 118.8718 123.6096 116.463 119.9273 120.8638 120.6249 118.4122 118.9713 120.7691 120.2593 119.8917 120.7268 119.3813 118.975 119.2102 121.812 119.3395 119.674 120.9838 119.6055 117.261 123.1335 118.7685 119.5409 121.671 120.9915 121.0246 117.9839 120.4002 123.6834 115.8363 118.8259 121.0967 120.0763 127.2137 118.378 114.407 122.4163 116.5563 121.0268 123.4545 121.1656 115.3735 106.3205 107.4299 111.6897 107.0294 111.7124 112.3188 119.0246 118.2182 122.7336 118.3979 118.1246 123.4743 118.9032 119.0134 122.0833 118.3424 119.3411 122.3163 120.7027 119.6639 119.6331 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 21 21 16 16 26 26 37 37 15 15 37 37 28 28 40 40 26 26 40 40 27 27 21 21 12 12 18 18 12 12 17 17 9 9 20 20 9 9 19 19 15 15 35 35 15 15 36 36 9 9 14 14 27 27 29 29 25 25 29 29 25 25 25 27 27 27 3 3 21 21 30 30 31 31 28 28 31 31 28 28 30 30 7 7 24 24 8 8 24 24 30 30 41 41 31 31 42 9 9 9 9 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 16 16 21 21 15 15 15 15 26 26 26 26 26 26 26 26 28 28 28 28 21 21 27 27 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 19 19 19 19 20 20 20 20 23 23 23 23 25 25 25 25 27 27 27 27 29 29 29 29 29 29 25 25 25 25 28 28 28 28 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 34 34 34 34 34 34 34 19 20 14 23 17 18 17 18 10 13 10 13 10 12 10 12 11 24 11 24 9 23 22 39 19 35 19 35 20 36 20 36 1 17 1 17 2 18 2 18 1 16 1 16 2 16 2 16 3 25 3 25 23 38 23 38 14 39 14 39 4 5 6 4 5 6 22 38 22 38 11 13 11 13 7 32 7 32 8 33 8 33 34 41 34 41 34 42 34 42 33 43 33 43 32 43 32 -91.6328 92.0453 -0.4036 179.571 0.5005 -179.4682 179.8103 -0.1584 -0.4218 180.004 -179.748 0.6778 177.3354 -3.0499 2.2942 -178.0912 2.9245 -177.9903 177.6486 -3.2662 -179.9428 0.0842 -0.09 -179.8097 179.901 -0.261 -0.1313 179.7067 -179.9004 0.257 0.1296 -179.713 4.6699 -175.9478 -178.9285 0.4538 -4.6318 175.9577 178.9577 -0.4528 179.2156 -0.1652 -0.6232 179.9959 -179.2402 0.1683 0.6045 -179.987 -0.1626 179.9344 179.811 -0.0919 -0.108 -179.7316 -178.5265 1.8499 0.1033 179.8107 178.4865 -1.8061 -48.0294 70.9108 -168.8096 133.5995 -107.4603 12.8194 -179.8017 -0.1741 0.1013 179.7288 42.2146 -136.8934 -134.3943 46.4977 4.9907 -176.8109 -178.1442 0.0541 -3.3675 175.9664 179.8821 -0.784 178.8428 -1.0517 0.6307 -179.2638 -179.8738 0.2707 0.7905 -179.0649 -0.6298 179.5547 179.2613 -0.5542 -0.0508 179.7647 179.8001 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0499300469 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9323,.6415,2.7945;-1.4749,1.8179,-2.3958;-5.5389,2.6528,.3488;-7.6978,-2.2221,.3217;-7.2575,-2.2322,-1.7795;-6.1885,-3.5522,-.4569;7.2273,1.584,-1.2124;6.3936,-2.5748,.7352;-2.8512,1.5884,.1784;3.0513,.0041,2.491;4.7166,.0625,-1.2891;2.5484,.3452,.2818;4.7125,-.1464,.9784;-3.395,-.5995,-.2204;1.1833,.624,.3267;-1.539,1.2237,.215;.4,.5046,1.472;.5985,1.0348,-.8708;-.9496,.8,1.3944;-.7509,1.3221,-.9199;-3.7709,.6313,-.0034;-5.6714,-1.2662,-.3503;-5.1152,1.0198,.0535;6.7596,-.4812,-.2333;-6.0718,.0503,-.125;3.3622,.0712,1.3278;-4.3172,-1.5375,-.3905;5.2986,-.1677,-.2529;-6.7026,-2.3261,-.5658;7.6755,.4154,-.7683;7.2571,-1.6889,.2347;9.0272,.1444,-.8227;8.599,-2.0068,.1894;9.4777,-1.0755,-.3418;.8214,.1854,2.4103;1.1926,1.1283,-1.7707;2.9947,.3752,-.6299;-7.1185,.3204,-.0797;-3.944,-2.5388,-.5621;5.2891,-.3279,1.7864;9.7086,.8755,-1.2345;8.9427,-2.9629,.558;10.5335,-1.3044,-.3823; 0.000000 5.341652 0.000000 4.799411 4.974555 0.000000 6.896066 7.901344 5.331683 0.000000 7.585367 7.086762 5.598850 2.146852 0.000000 6.802475 7.403724 6.290760 2.157184 2.152797 0.000000 10.041980 8.785357 12.905564 15.478903 14.989791 14.385140 0.000000 9.159992 9.540009 13.033046 14.101811 13.885001 12.676093 4.667307 0.000000 2.930010 2.928084 2.895831 6.166850 6.151934 6.161708 10.173934 10.154163 0.000000 5.033409 6.903477 9.241021 11.189545 11.380314 10.330141 5.800804 4.572112 6.534342 0.000000 7.824285 6.529955 10.703588 12.725189 12.201850 11.518600 2.936724 3.723673 7.858292 4.131120 0.000000 5.145747 5.052255 8.410331 10.563021 10.346427 9.595233 5.065422 4.849471 5.541803 2.291313 2.692329 0.000000 6.933468 7.316298 10.645340 12.599823 12.459490 11.510471 3.757355 2.963466 7.801215 2.251702 2.277181 2.326030 0.000000 3.573465 3.776699 3.936730 4.630356 4.473826 4.071525 10.889674 10.031537 2.289496 7.019428 8.208462 6.039001 8.208246 0.000000 3.974657 3.987927 7.021723 9.326001 9.156512 8.508676 6.310258 6.127453 4.150802 2.925436 3.925554 1.393984 3.670635 4.770510 0.000000 2.673532 2.678350 4.249555 7.058000 6.972991 6.699113 8.889051 8.810559 1.362328 5.266837 6.537871 4.181344 6.445339 2.637926 2.789896 0.000000 2.684667 4.494450 6.414539 8.621619 8.757868 7.974103 7.415017 6.778551 3.663040 2.884198 5.143191 2.461266 4.389247 4.299515 1.392722 2.420145 0.000000 4.471532 2.690329 6.463192 8.992108 8.556653 8.202116 6.660223 7.013650 3.647957 4.287275 4.251924 2.367725 4.662632 4.363775 1.394547 2.404958 2.410258 0.000000 1.717905 3.959586 5.058467 7.471418 7.684936 7.057956 8.618039 8.108340 2.390887 4.224122 6.312737 3.698744 5.755697 3.247566 2.391722 1.384980 1.383670 2.753734 0.000000 3.956739 1.717101 5.128826 7.896970 7.463798 7.317117 7.987819 8.304745 2.384996 5.275268 5.622846 3.644694 5.967348 3.342668 2.404685 1.385184 2.777395 1.380537 2.380775 0.000000 3.348007 3.521845 2.708537 4.864992 4.848789 4.853051 11.105356 10.683702 1.339751 7.291020 8.603149 6.332233 8.575416 1.305139 4.965233 2.319460 4.425995 4.472922 3.153164 3.230713 0.000000 5.244954 5.595191 3.983068 2.339186 2.343458 2.346217 13.237857 12.184136 4.047396 9.261341 10.514561 8.400052 10.528272 2.375475 7.142664 4.857491 6.581631 6.699004 5.441349 5.588783 2.707859 0.000000 4.217507 4.459619 1.712712 4.153531 4.304080 4.723967 12.420039 12.076346 2.337687 8.582892 9.969119 7.696656 9.939831 2.378309 6.316881 3.585618 5.717967 5.788025 4.381678 4.481741 1.400470 2.387072 0.000000 9.272399 8.818667 12.704841 14.572372 14.210418 13.309111 2.332885 2.335626 9.839676 4.626943 2.363115 4.322296 2.402254 10.155326 5.712240 8.483819 6.657663 6.376801 7.982606 7.754411 10.591603 12.456251 11.972732 0.000000 5.099835 5.423368 2.698477 2.829690 3.058296 3.619623 13.431282 12.767768 3.581928 9.490903 10.851003 8.634838 10.842403 2.756142 7.291764 4.694503 6.681373 6.783690 5.395161 5.528221 2.376219 1.394319 1.373651 12.842833 0.000000 5.523496 6.349362 9.319512 11.340000 11.302232 10.369659 4.866144 4.067080 6.498425 1.205931 2.946637 1.353368 1.411612 6.964758 2.460808 5.156504 2.997281 3.660708 4.373486 4.851284 7.277913 9.284964 8.625039 3.779423 9.545265 0.000000 4.536518 4.833035 4.426930 3.522014 3.325299 2.750512 11.987180 10.819567 3.499096 8.060704 9.218232 7.150717 9.238206 1.326255 5.953284 3.963440 5.467251 5.568755 4.471059 4.601691 2.269778 1.381689 2.715469 11.128105 2.381202 8.032046 0.000000 7.888480 7.376632 11.214643 13.170313 12.815979 11.977032 2.776408 2.823071 8.347971 3.550926 1.210569 2.848253 1.363891 8.704439 4.230629 6.993468 5.236789 4.890673 6.533751 6.265856 9.108074 11.025267 10.485796 1.494369 11.373211 2.511026 9.713829 0.000000 6.546303 6.917404 5.194268 1.337501 1.337816 1.334013 14.482657 13.162970 5.541692 10.483974 11.688707 9.666207 11.723511 3.747021 8.466826 6.314521 7.912807 8.043298 6.834625 6.989798 4.202062 1.494430 3.754791 13.592067 2.497868 10.518255 2.518516 12.197772 0.000000 10.249647 9.399235 13.448931 15.635957 15.199622 14.423900 1.328010 3.584084 10.634054 5.672326 3.025103 5.233997 3.485112 11.130489 6.587184 9.302067 7.613162 7.104802 8.900413 8.476422 11.473994 13.458894 12.831352 1.388945 13.767198 4.807950 12.156524 2.501060 14.638551 0.000000 9.819820 9.770600 13.512968 14.964641 14.663787 13.591662 3.578601 1.334602 10.626412 5.064170 3.441456 5.129477 3.067118 10.717375 6.499887 9.265856 7.304967 7.278561 8.653835 8.632921 11.271971 12.948597 12.666662 1.387425 13.446689 4.411635 11.592136 2.527357 13.997146 2.368369 0.000000 11.551780 10.750352 14.826882 16.930344 16.485070 15.662568 2.337569 4.093601 12.007668 6.834616 4.336610 6.575369 4.684600 12.459117 7.942179 10.671855 8.934492 8.475779 10.241212 9.849307 12.833604 14.773693 14.196602 2.425098 15.115445 6.059890 13.456924 3.784806 15.924735 1.379713 2.759043 0.000000 11.167360 11.081313 14.886844 16.298781 15.979924 14.882065 4.091497 2.341963 12.001363 6.333921 4.641284 6.492356 4.380490 12.083316 7.869736 10.640397 8.670472 8.624610 10.025277 9.986676 12.649619 14.299799 14.044927 2.426860 14.817684 5.747870 12.937738 3.804063 15.323589 2.763563 1.379831 2.415628 0.000000 11.957085 11.512985 15.487836 17.226461 16.836621 15.861110 3.590927 3.594413 12.624046 7.105478 4.986019 7.100815 5.031157 12.882078 8.492990 11.267840 9.390989 9.141796 10.735863 10.521701 13.362353 15.150231 14.747835 2.784390 15.591658 6.442084 13.802654 4.277432 16.230070 2.377473 2.374760 1.386413 1.386189 0.000000 2.817598 5.571110 7.126827 9.095903 9.416417 8.445654 7.490947 6.439950 4.520815 2.238712 5.373367 2.745657 4.159433 5.031457 2.159830 3.386674 1.077006 3.396613 2.132183 3.854154 5.207181 7.203081 6.441650 6.534103 7.345921 2.764156 6.100670 5.221351 8.472069 7.558749 7.047260 8.819824 8.380294 9.170263 0.000000 5.553660 2.825168 7.220009 9.728381 9.093783 8.838114 6.077582 6.858793 4.512472 4.783425 3.713021 2.581505 4.644648 5.141479 2.157163 3.378418 3.395918 1.082317 3.835952 2.130382 5.292095 7.407045 6.567147 5.995490 7.526037 3.927564 6.274399 4.565392 8.701596 6.598622 6.981168 7.952934 8.278084 8.691449 4.302041 0.000000 6.006087 5.017710 8.886365 11.044515 10.640915 9.989260 4.440127 4.702999 6.024907 3.143379 1.870088 1.015456 2.410292 6.476649 2.063489 4.689230 3.341745 2.496993 4.453719 3.874340 6.799408 8.824591 8.164172 3.881351 9.086376 2.014924 7.561707 2.396806 10.066737 4.683012 4.814122 6.040016 6.144389 6.649503 3.741890 2.261959 0.000000 5.938059 6.281511 2.849427 2.638350 3.069899 4.000495 14.445752 13.842726 4.459195 10.494468 11.899482 9.673680 11.887393 3.837957 8.317283 5.659766 7.679131 7.790260 6.360696 6.500411 3.362836 2.164347 2.126039 13.902036 1.081916 10.577746 3.375710 12.427881 2.722666 14.810318 14.518717 16.163770 15.891144 16.656795 8.322294 8.519712 10.128305 0.000000 5.042631 5.332961 5.506985 3.869403 3.543401 2.464861 11.925493 10.418691 4.333191 8.045056 9.071990 7.154113 9.112199 2.044265 6.089555 4.532626 5.680712 5.787970 4.893069 5.023035 3.223676 2.156013 3.796696 10.904512 3.379668 7.985291 1.082345 9.546925 2.766800 11.990974 11.261520 13.248424 12.576780 13.502999 6.242254 6.425948 7.526102 4.299429 0.000000 7.355605 8.236917 11.322374 13.205779 13.181803 12.131074 4.050200 2.715417 8.515958 2.369457 3.152626 3.198169 1.009038 8.917148 4.460292 7.176384 4.969442 5.560511 6.351905 6.821144 9.284798 11.206141 10.633398 2.502989 11.526760 2.020469 9.923836 2.045622 12.382512 3.574047 2.851863 4.583025 4.040422 4.757302 4.540120 5.617377 3.405392 12.563855 9.780269 0.000000 12.320635 11.283016 15.432110 17.748188 17.256985 16.520432 2.580568 5.174351 12.659048 7.678374 5.058069 7.338124 5.558937 13.225315 8.670658 11.345979 9.701155 9.118713 10.977837 10.473738 13.537792 15.553490 14.880340 3.397008 15.840831 6.891160 14.256791 4.636748 16.733912 2.135957 3.839822 1.080886 3.400906 2.157887 9.630255 8.536626 6.759557 16.875762 14.089094 5.486845 0.000000 11.673078 11.836729 15.533751 16.658683 16.384343 15.176643 5.172159 2.584650 12.647317 6.873762 5.515930 7.204688 5.099427 12.586209 8.551484 11.292201 9.264884 9.362131 10.616816 10.701051 13.223881 14.740290 14.619958 3.398691 15.329126 6.398447 13.370003 4.663764 15.698577 3.844236 2.137541 3.401284 1.080811 2.158298 8.904960 9.067864 6.923368 16.405772 12.942272 4.669203 4.304991 0.000000 13.010540 12.569927 16.568450 18.267898 17.869874 16.872487 4.467935 4.472335 13.705128 8.120974 6.043743 8.180651 6.088979 13.947271 9.573199 12.348829 10.459360 10.218298 11.808681 11.598464 14.439727 16.204903 15.826338 3.865476 16.662403 7.499516 14.852462 5.358400 17.267291 3.357756 3.356045 2.135762 2.135933 1.081089 10.214754 9.751818 7.727534 17.729133 14.531105 5.758468 2.481629 2.483007 0.000000 C20H9Cl3F5N3O3 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 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:2.0052,-.5693,2.7982;1.5825,-1.8969,-2.3586;5.6329,-2.6378,.4327;7.7756,2.2419,.2772;7.3478,2.1897,-1.826;6.2664,3.5436,-.5484;-7.1272,-1.6596,-1.2332;-6.3191,2.5567,.5981;2.9427,-1.5882,.2159;-2.9787,.0414,2.4473;-4.6213,-.1321,-1.3393;-2.4615,-.3617,.2518;-4.6314,.1423,.9213;3.4816,.5892,-.2429;-1.0958,-.6342,.3127;1.6292,-1.2273,.2343;-.3197,-.479,1.4586;-.5025,-1.0774,-.869;1.0313,-.7717,1.3975;.8481,-1.3612,-.9018;3.8603,-.6336,.0119;5.7564,1.2598,-.3787;5.2056,-1.0155,.0878;-6.6723,.4347,-.3116;6.1599,-.0482,-.113;-3.2825,-.0603,1.2847;4.4016,1.525,-.4347;-5.2102,.1258,-.3136;6.7853,2.3167,-.6188;-7.582,-.4803,-.8257;-7.1767,1.6536,.1184;-8.9343,-.2157,-.8958;-8.5194,1.9653,.056;-9.3917,1.0159,-.453;-.7478,-.1342,2.3848;-1.0909,-1.199,-1.7692;-2.9023,-.4196,-.6612;7.2072,-.3131,-.0538;4.026,2.5197,-.6373;-5.2133,.345,1.7203;-9.6107,-.9609,-1.2903;-8.8685,2.9304,.3948;-10.448,1.2398,-.5063; 0.2297533 0.0319898 0.0310311 -101.57369 -101.56952 -101.56662 -24.73239 -24.72713 -24.72655 -24.72450 -24.72251 -19.20008 -19.14766 -19.12226 -14.39328 -14.37683 -14.34115 -10.44238 -10.33877 -10.33476 -10.30765 -10.30604 -10.30485 -10.26402 -10.26331 -10.25764 -10.25562 -10.25299 -10.24305 -10.23424 -10.22855 -10.22636 -10.22311 -10.21720 -10.21611 -10.20428 -10.19703 -9.48880 -9.48484 -9.48200 -7.25361 -7.24953 -7.24665 -7.24357 -7.24293 -7.23959 -7.23907 -7.23677 -7.23623 -1.34128 -1.27926 -1.27501 -1.25047 -1.24598 -1.14397 -1.11528 -1.09088 -0.99213 -0.98652 -0.96904 -0.92626 -0.91754 -0.90914 -0.89939 -0.85295 -0.84538 -0.82144 -0.80022 -0.79805 -0.77491 -0.75761 -0.73818 -0.72044 -0.69766 -0.67547 -0.67221 -0.66634 -0.65840 -0.64408 -0.62032 -0.61479 -0.61228 -0.60995 -0.59769 -0.59500 -0.58807 -0.57545 -0.56525 -0.55693 -0.54329 -0.53604 -0.52495 -0.52149 -0.50994 -0.50735 -0.49810 -0.49396 -0.49067 -0.48773 -0.48198 -0.48110 -0.47728 -0.47520 -0.47327 -0.46880 -0.46419 -0.45627 -0.45121 -0.44837 -0.44798 -0.44392 -0.43442 -0.43087 -0.42779 -0.41901 -0.41479 -0.41190 -0.40934 -0.40655 -0.39872 -0.38444 -0.37936 -0.37639 -0.37064 -0.34094 -0.33650 -0.33035 -0.32638 -0.32231 -0.31170 -0.31145 -0.30631 -0.30224 -0.29952 -0.28960 -0.26866 -0.26400 -0.24818 -0.07822 -0.06320 -0.04983 -0.04701 -0.04553 -0.04005 -0.02013 -0.01659 -0.00977 -0.00878 0.00226 0.00656 0.01168 0.01329 0.02018 0.02189 0.02490 0.02947 0.03347 0.03452 0.03861 0.04167 0.04354 0.04515 0.04696 0.05096 0.05173 0.05764 0.06361 0.06442 0.06914 0.06950 0.07693 0.07891 0.08050 0.08483 0.08808 0.08860 0.09194 0.09400 0.09498 0.09630 0.09844 0.10029 0.10302 0.10477 0.10791 0.11232 0.11450 0.11710 0.11895 0.12335 0.12514 0.12794 0.13005 0.13226 0.13432 0.13722 0.13884 0.13923 0.13984 0.14247 0.14865 0.15150 0.15418 0.15667 0.15735 0.15935 0.16326 0.16373 0.16483 0.16799 0.17195 0.17214 0.17347 0.17560 0.17862 0.18074 0.18397 0.18606 0.18640 0.18781 0.19130 0.19361 0.19479 0.19789 0.20025 0.20244 0.20400 0.20446 0.20947 0.21199 0.21343 0.21530 0.21615 0.21900 0.22045 0.22313 0.23076 0.23176 0.23334 0.23485 0.23726 0.23910 0.24371 0.24573 0.24715 0.24957 0.25159 0.25413 0.25684 0.25771 0.26017 0.26457 0.26660 0.26691 0.27012 0.27321 0.27565 0.27722 0.27858 0.28427 0.28529 0.28695 0.29338 0.29390 0.29833 0.30007 0.30084 0.30329 0.30752 0.30994 0.31280 0.31717 0.32003 0.32147 0.32660 0.33005 0.33048 0.33474 0.33505 0.34230 0.34332 0.34456 0.34913 0.34952 0.35090 0.35368 0.35763 0.35950 0.36121 0.36306 0.36528 0.36752 0.37194 0.37379 0.37772 0.37993 0.38301 0.38476 0.38790 0.40019 0.40319 0.40486 0.41008 0.41331 0.42075 0.42255 0.42514 0.43023 0.43591 0.43746 0.43947 0.44506 0.45194 0.46149 0.46310 0.46725 0.47183 0.47810 0.47917 0.48248 0.48737 0.48814 0.49231 0.49465 0.49700 0.49963 0.50698 0.51165 0.51552 0.51876 0.52471 0.52761 0.53204 0.53628 0.54241 0.55124 0.55161 0.55805 0.56915 0.57533 0.57766 0.58036 0.58529 0.58700 0.59183 0.59871 0.60179 0.60419 0.60857 0.61359 0.61773 0.62458 0.62652 0.63129 0.63179 0.64101 0.64681 0.64958 0.65056 0.65667 0.66093 0.66584 0.66803 0.67416 0.68057 0.68327 0.68506 0.68783 0.69257 0.69387 0.69852 0.70324 0.71049 0.71445 0.72012 0.72653 0.72929 0.73394 0.73810 0.74042 0.74749 0.74980 0.76175 0.77266 0.77560 0.79153 0.79926 0.80624 0.81055 0.81825 0.82367 0.82671 0.83106 0.83429 0.83982 0.84530 0.84613 0.84679 0.85304 0.85687 0.86401 0.86988 0.87255 0.87529 0.87873 0.88659 0.89043 0.90119 0.90367 0.90792 0.91093 0.91267 0.91896 0.92161 0.92492 0.92726 0.93577 0.95015 0.95545 0.95885 0.96777 0.97342 0.97602 0.97980 0.98384 0.98970 0.99353 0.99916 1.00550 1.01022 1.01347 1.01954 1.02378 1.02502 1.03357 1.04145 1.05170 1.05735 1.06109 1.06481 1.07183 1.07453 1.07887 1.08598 1.08739 1.09822 1.11345 1.11659 1.12660 1.13560 1.15318 1.15866 1.16134 1.16538 1.17273 1.18039 1.19347 1.20078 1.20902 1.21376 1.21865 1.22767 1.22978 1.23653 1.24788 1.25361 1.26205 1.26723 1.27071 1.27783 1.28508 1.29273 1.29611 1.31552 1.32071 1.32248 1.34061 1.34950 1.36822 1.37064 1.37949 1.39757 1.40111 1.40386 1.41083 1.41117 1.41723 1.41930 1.42490 1.42941 1.43742 1.44133 1.45563 1.45788 1.46392 1.47123 1.47459 1.48791 1.49659 1.49954 1.50134 1.51370 1.51494 1.52014 1.52267 1.53298 1.53470 1.54639 1.55505 1.55658 1.56155 1.56759 1.57972 1.58227 1.58683 1.59931 1.60753 1.61013 1.62383 1.62748 1.63175 1.63919 1.65503 1.65848 1.66260 1.66810 1.68350 1.69056 1.70000 1.70352 1.70556 1.72263 1.73607 1.75312 1.76262 1.76390 1.77392 1.78508 1.79361 1.81234 1.81657 1.82017 1.83197 1.84631 1.85043 1.85762 1.86620 1.87011 1.87945 1.88070 1.89405 1.90367 1.90750 1.91238 1.92697 1.92856 1.93720 1.93912 1.94370 1.94668 1.95242 1.96464 1.97673 1.98099 1.98172 1.98916 2.00227 2.01287 2.01771 2.02609 2.05555 2.05809 2.06411 2.06923 2.07584 2.09964 2.11750 2.12878 2.13750 2.14128 2.15367 2.16743 2.19208 2.19690 2.20032 2.20485 2.21955 2.23266 2.25047 2.25923 2.27717 2.28046 2.28748 2.29223 2.29796 2.30539 2.31042 2.31149 2.34298 2.35373 2.35388 2.36860 2.37404 2.41219 2.41595 2.42270 2.43955 2.45275 2.47506 2.48426 2.50721 2.52229 2.53143 2.55694 2.56269 2.57435 2.58058 2.59230 2.60216 2.61193 2.63131 2.65114 2.66138 2.67376 2.68728 2.69237 2.69538 2.69928 2.70665 2.72048 2.72600 2.73227 2.73574 2.74291 2.74339 2.74767 2.75703 2.76572 2.76637 2.76741 2.77265 2.79609 2.80134 2.81329 2.81664 2.83363 2.83877 2.84470 2.86331 2.87435 2.89046 2.89603 2.90649 2.90967 2.92875 2.93151 2.93474 2.94443 2.95300 2.96028 2.98896 3.00324 3.03791 3.04759 3.05786 3.06243 3.08662 3.10927 3.11724 3.12464 3.13238 3.14037 3.16188 3.18315 3.19397 3.21184 3.21828 3.22590 3.23797 3.24840 3.28657 3.32085 3.33265 3.35334 3.35789 3.36377 3.36990 3.37265 3.37957 3.40763 3.43491 3.47536 3.49048 3.50294 3.51478 3.55142 3.58124 3.60733 3.61724 3.64735 3.68011 3.70028 3.70838 3.71330 3.73636 3.73853 3.74077 3.75186 3.75576 3.76457 3.76561 3.76890 3.77797 3.77869 3.80470 3.85649 3.87759 3.89385 3.89921 3.91814 3.92285 3.94136 3.94503 3.95979 3.96037 3.97073 3.98451 3.98736 4.00427 4.01387 4.02665 4.09537 4.10443 4.11038 4.11674 4.11885 4.13478 4.19259 4.21621 4.23625 4.26440 4.43232 4.50690 4.69924 4.72287 4.80905 4.83737 4.85160 4.86798 4.88028 4.91660 4.94305 4.95577 5.05997 5.07415 5.13703 5.18160 5.22456 5.27477 5.34597 5.46902 5.75911 5.85044 5.92798 6.29796 6.30426 6.32304 6.33543 6.35355 6.36220 6.38077 6.41794 6.45236 6.45710 6.47190 6.72192 6.74456 6.77687 6.78672 9.80354 9.82524 9.84549 23.48904 23.50927 23.51929 23.64193 23.85153 23.85514 23.87518 23.88496 23.89585 23.93483 23.94808 23.95501 24.03410 24.05491 24.05937 24.06260 24.07203 24.11064 24.15216 24.17086 25.86647 25.89422 25.94204 26.22918 26.28111 26.35164 26.68506 26.71750 26.80021 35.58358 35.65567 35.69519 49.97414 50.00462 50.03960 66.73867 66.76027 66.77383 66.78438 66.81584 215.80029 215.82486 215.84885 1-A. -7.6595 0.7443 -0.4969 7.7116 -149.4702 -216.8592 -221.9964 -14.9836 0.5555 0.6804 46.6384 -20.7506 -25.8878 -14.9836 0.5555 0.6804 -758.8809 34.4705 -20.9183 -23.1981 35.6564 16.1679 43.4373 9.1840 -0.4207 6.0003 -27491.7095 -3003.6353 -2149.2580 -1229.3542 274.3429 105.1564 -6.3049 -16.7117 23.1255 -6331.1864 -6317.8187 -859.1764 97.7008 -18.0240 76.9604 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9037,.7181,2.9685;-1.5394,1.7468,-2.339;-5.6225,2.6781,.3533;-7.7633,-2.2765,.1436;-7.2666,-2.1488,-1.9656;-6.208,-3.5569,-.6885;7.225,1.4459,-1.5774;6.5434,-2.3701,1.1221;-2.8907,1.59,.3065;3.0437,-.1958,2.541;4.7403,.2003,-1.23;2.5591,.3707,.3558;4.729,-.217,1.0201;-3.4256,-.6089,-.1554;1.1806,.6412,.407;-1.5589,1.2246,.3274;.4172,.5538,1.5759;.5726,1.0153,-.7987;-.9403,.8453,1.5167;-.7832,1.3004,-.8291;-3.8156,.63,.0616;-5.7073,-1.2576,-.4251;-5.169,1.0242,.0544;6.7973,-.4538,-.2385;-6.1232,.059,-.1948;3.3646,-.0173,1.3836;-4.3501,-1.5437,-.3966;5.3314,-.1306,-.2141;-6.7285,-2.3131,-.7304;7.6857,.3387,-.9767;7.3557,-1.5688,.3921;9.0358,.0481,-1.0854;8.6941,-1.9069,.3002;9.5338,-1.0847,-.447;.87,.2628,2.5097;1.1502,1.0826,-1.7121;3.0264,.4598,-.5459;-7.1729,.3234,-.2041;-3.988,-2.5504,-.5668;5.2764,-.533,1.8088;9.67,.7086,-1.6616;9.0525,-2.7945,.804;10.586,-1.3276,-.5298; 0.000000 5.418478 0.000000 4.950798 4.978694 0.000000 7.161124 7.815815 5.401311 0.000000 7.830979 6.936574 5.601643 2.170644 0.000000 7.083452 7.255971 6.348421 2.179627 2.175862 0.000000 10.223890 8.802580 13.050095 15.539212 14.935848 14.361883 0.000000 9.181479 9.708755 13.194132 14.340410 14.152700 12.933849 4.723779 0.000000 2.969896 2.974817 2.940871 6.222325 6.187785 6.203547 10.290712 10.264052 0.000000 5.049185 6.970780 9.388703 11.263481 11.420333 10.359469 6.094242 4.357632 6.587774 0.000000 7.876441 6.561700 10.771925 12.820317 12.256608 11.587674 2.801097 3.923119 7.907290 4.154032 0.000000 5.182983 5.094419 8.500766 10.658495 10.405782 9.663200 5.163741 4.896307 5.584798 2.308819 2.702138 0.000000 6.975900 7.377823 10.769394 12.691175 12.511574 11.562471 3.967657 2.817505 7.863504 2.270221 2.288511 2.344152 0.000000 3.719616 3.724948 3.986126 4.656777 4.516764 4.088567 10.939848 10.203690 2.309632 7.020847 8.275969 6.085841 8.248190 0.000000 4.009987 4.020040 7.101678 9.411420 9.206942 8.568244 6.412518 6.191892 4.181620 2.953913 3.942817 1.405747 3.701843 4.805832 0.000000 2.711218 2.717096 4.315841 7.126394 7.015346 6.745980 8.990780 8.899465 1.381239 5.301010 6.569205 4.205677 6.488087 2.660696 2.802016 0.000000 2.711573 4.536294 6.518087 8.773934 8.881818 8.118993 7.555519 6.803371 3.691536 2.896813 5.166026 2.471857 4.415289 4.372235 1.398899 2.431798 0.000000 4.517902 2.714371 6.516934 9.011638 8.533768 8.178789 6.711732 7.127554 3.680499 4.327404 4.268562 2.386379 4.701336 4.363150 1.401154 2.419660 2.424029 0.000000 1.746910 4.004769 5.160959 7.627761 7.817411 7.210373 8.752589 8.154821 2.413131 4.243254 6.342769 3.717424 5.789352 3.329717 2.402423 1.393200 1.389740 2.771089 0.000000 4.001957 1.746676 5.168604 7.903197 7.431145 7.282868 8.044481 8.423751 2.411431 5.314209 5.646292 3.665999 6.008872 3.328831 2.412237 1.394534 2.789702 1.385764 2.394704 0.000000 3.480364 3.491630 2.746715 4.902876 4.872403 4.880158 11.191431 10.836747 1.355325 7.340220 8.663546 6.386778 8.639822 1.316841 5.008147 2.348840 4.496186 4.488278 3.229685 3.230794 0.000000 5.466917 5.482835 4.012770 2.363965 2.366130 2.367857 13.262099 12.398097 4.071494 9.300800 10.579549 8.461389 10.587181 2.387449 7.193155 4.892558 6.692923 6.689007 5.560290 5.563551 2.716339 0.000000 4.387253 4.407319 1.740782 4.199105 4.306700 4.755773 12.508101 12.241007 2.360971 8.667149 10.026115 7.761548 10.022154 2.397996 6.370900 3.625982 5.808795 5.804581 4.477956 4.482365 1.409636 2.392936 0.000000 9.346954 8.874404 12.822281 14.679199 14.270569 13.377937 2.363122 2.363932 9.916275 4.677815 2.375339 4.358366 2.432703 10.224436 5.758759 8.541842 6.709206 6.420270 8.039898 7.803253 10.672359 12.531867 12.060809 0.000000 5.314635 5.334595 2.722290 2.873758 3.052356 3.650353 13.491146 12.964509 3.611689 9.569807 10.913657 8.705349 10.923493 2.779339 7.351659 4.739689 6.793936 6.790627 5.514517 5.518941 2.391001 1.399724 1.379965 12.930786 0.000000 5.550397 6.404578 9.438972 11.422341 11.348195 10.414192 5.080546 3.963484 6.547693 1.214170 2.961659 1.362264 1.426098 6.987478 2.481390 5.186341 3.008339 3.691098 4.392492 4.882279 7.329513 9.333233 8.699048 3.821747 9.618492 0.000000 4.735426 4.743503 4.472675 3.532477 3.366552 2.754926 12.013164 11.029876 3.527626 8.069310 9.293642 7.208885 9.284234 1.336715 6.000690 3.997319 5.569346 5.562640 4.581968 4.582401 2.284895 1.387374 2.732789 11.201699 2.398591 8.063197 0.000000 7.949607 7.432884 11.322528 13.274175 12.878295 12.046656 2.815965 2.875727 8.416395 3.581714 1.221071 2.874353 1.376098 8.770281 4.267435 7.043162 5.274707 4.929697 6.579024 6.309928 9.182769 11.098164 10.567161 1.501281 11.456241 2.536598 9.785822 0.000000 6.793262 6.782139 5.225796 1.354974 1.357260 1.348997 14.475806 13.400721 5.571122 10.520456 11.751615 9.728412 11.778455 3.760866 8.519120 6.352871 8.037372 8.024240 6.966166 6.957936 4.215914 1.500017 3.766321 13.661889 2.505930 10.564555 2.521936 12.266702 0.000000 10.376191 9.430858 13.577581 15.708789 15.190043 14.432389 1.341228 3.612193 10.727261 5.848809 2.959544 5.297066 3.610860 11.181875 6.657546 9.378067 7.706744 7.147510 8.993508 8.524678 11.551805 13.499157 12.914227 1.400821 13.833904 4.936659 12.195969 2.518842 14.658220 0.000000 9.879486 9.878001 13.655475 15.137587 14.822517 13.751146 3.603386 1.354593 10.722648 5.009645 3.549844 5.174006 3.020152 10.837815 6.558710 9.342224 7.351878 7.355757 8.713055 8.715859 11.390479 13.092313 12.794786 1.397405 13.589560 4.395413 11.732399 2.556089 14.148497 2.370910 0.000000 11.685635 10.783800 14.961657 17.003557 16.473219 15.669212 2.339800 4.114931 12.106034 7.008216 4.300570 6.642892 4.801192 12.513264 8.017634 10.752958 9.034265 8.523119 10.340657 9.901846 12.915575 14.815524 14.283797 2.445334 15.185113 6.185700 13.497757 3.809594 15.944064 1.385219 2.760396 0.000000 11.239395 11.182080 15.032983 16.462288 16.122540 15.025724 4.113937 2.348580 12.101117 6.314798 4.734366 6.544361 4.369909 12.197544 7.934568 10.720571 8.728696 8.700959 10.093435 10.068865 12.766615 14.434337 14.171730 2.449384 14.955377 5.757487 13.067873 3.837603 15.462375 2.773075 1.383497 2.420389 0.000000 12.071970 11.585042 15.636940 17.348156 16.902428 15.936559 3.607297 3.613435 12.731531 7.200025 5.024173 7.170038 5.098202 12.971442 8.572328 11.356966 9.481041 9.210787 10.830034 10.596074 13.468741 15.242175 14.861774 2.816039 15.700794 6.523080 13.891610 4.315635 16.311132 2.392149 2.383801 1.392469 1.392548 0.000000 2.848004 5.614024 7.255108 9.304824 9.594171 8.655413 7.647903 6.406657 4.556161 2.221728 5.382286 2.739362 4.164262 5.129810 2.158996 3.403973 1.077811 3.405916 2.145381 3.867463 5.299353 7.361131 6.563398 6.572618 7.500763 2.751236 6.241773 5.241993 8.652809 7.656049 7.064248 8.924704 8.414661 9.253102 0.000000 5.600574 2.840378 7.258115 9.704448 9.019301 8.758697 6.087217 7.002955 4.545452 4.827848 3.728276 2.601562 4.686339 5.120751 2.164745 3.393887 3.409981 1.082814 3.853816 2.136633 5.292442 7.359240 6.561677 6.035094 7.500138 3.961940 6.235479 4.604224 8.635275 6.618750 7.068709 7.977812 8.360474 8.751219 4.309785 0.000000 6.059928 5.071268 8.973988 11.152511 10.712836 10.071079 4.434559 4.812487 6.084089 3.155718 1.863605 1.019440 2.410210 6.551516 2.085114 4.729899 3.364324 2.528598 4.487517 3.911518 6.871017 8.901779 8.236685 3.892184 9.165090 2.016181 7.645167 2.402485 10.142997 4.680808 4.872181 6.047581 6.200010 6.688971 3.745036 2.295251 0.000000 6.163211 6.190367 2.873786 2.688648 3.037027 4.027713 14.506779 14.041058 4.494634 10.591640 11.957944 9.748209 11.976880 3.861845 8.381838 5.710675 7.799423 7.798995 6.486764 6.494059 3.381702 2.167089 2.138563 13.991869 1.082524 10.661846 3.389914 12.512582 2.724993 14.878722 14.663458 16.234932 16.030941 16.767734 8.488618 8.492584 10.205908 0.000000 5.246446 5.253819 5.554705 3.851254 3.587050 2.440491 11.946732 10.667520 4.371407 8.040304 9.175498 7.228302 9.162362 2.062759 6.152159 4.577178 5.799407 5.793695 5.015940 5.016741 3.246461 2.155811 3.815510 10.992138 3.392063 8.017540 1.083252 9.634925 2.755618 12.032941 11.426443 13.290584 12.728022 13.601575 6.401506 6.396204 7.633023 4.305095 0.000000 7.379919 8.297960 11.454921 13.260628 13.197805 12.135480 4.379482 2.334920 8.571202 2.373750 3.171719 3.211140 1.010743 8.921211 4.485466 7.211395 4.984671 5.596633 6.374362 6.858469 9.331104 11.231969 10.705546 2.551697 11.589458 2.025271 9.927442 2.063320 12.398920 3.784736 2.720961 4.779877 3.980530 4.849653 4.532170 5.659737 3.404797 12.639988 9.774551 0.000000 12.465478 11.277703 15.549901 17.778863 17.178605 16.469694 2.555111 5.196472 12.744512 7.898613 4.974581 7.399256 5.697528 13.247606 8.738054 11.415337 9.804088 9.143430 11.077012 10.503026 13.595501 15.551770 14.941222 3.410080 15.874482 7.039832 14.256101 4.650018 16.700560 2.131479 3.841893 1.081932 3.411966 2.170246 9.748782 8.528186 6.741262 16.910236 14.084067 5.734958 0.000000 11.707307 11.945293 15.668700 16.836683 16.565013 15.352201 5.195413 2.564515 12.732323 6.773199 5.630395 7.237636 5.038138 12.704337 8.598190 11.356997 9.293841 9.433620 10.658932 10.778539 13.336675 14.890454 14.744337 3.413486 15.473921 6.356213 13.514265 4.688214 15.862733 3.854424 2.133345 3.413339 1.081813 2.172605 8.899980 9.154782 6.980460 16.552979 13.114625 4.514767 4.328153 0.000000 13.130679 12.639208 16.719470 18.386097 17.929018 16.942000 4.481740 4.489764 13.814264 8.221750 6.082495 8.252223 6.159533 14.034998 9.654805 12.439694 10.553585 10.287401 11.906557 11.672842 14.546076 16.293817 15.940259 3.899028 16.769981 7.584666 14.938241 5.398401 17.343677 3.374606 3.367877 2.145816 2.145559 1.082992 10.303802 9.810291 7.768061 17.838443 14.625250 5.855989 2.503259 2.506511 0.000000 C20H9Cl3F5N3O3 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 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9603,-.853,2.9168;1.6535,-1.6406,-2.4353;5.7148,-2.6741,.2527;7.8316,2.295,.2901;7.3564,2.2612,-1.8276;6.2779,3.6046,-.4984;-7.1194,-1.4165,-1.7488;-6.4842,2.2759,1.1282;2.978,-1.598,.2281;-2.9873,.0559,2.4817;-4.6448,-.1761,-1.3203;-2.4784,-.4081,.278;-4.6577,.1383,.9465;3.5059,.6221,-.128;-1.099,-.6742,.3307;1.6441,-1.2403,.2521;-.3476,-.6365,1.51;-.4772,-.9901,-.8846;1.012,-.9185,1.4512;.8803,-1.267,-.9143;3.9002,-.6235,.0364;5.7868,1.2933,-.3449;5.2556,-1.0105,.0248;-6.7148,.4223,-.3207;6.2072,-.0303,-.1707;-3.2959,-.0712,1.3143;4.4278,1.5714,-.3171;-5.2475,.1054,-.2963;6.8053,2.3665,-.5917;-7.5918,-.34,-1.1031;-7.2852,1.5048,.3544;-8.9421,-.0511,-1.212;-8.6243,1.8403,.2645;-9.4524,1.0491,-.5277;-.8111,-.3905,2.4515;-1.0455,-1.0185,-1.8059;-2.9363,-.4583,-.6314;7.2583,-.2891,-.1814;4.0622,2.583,-.4449;-5.2144,.4155,1.7433;-9.5673,-.6877,-1.824;-8.9922,2.7024,.8046;-10.5049,1.2905,-.6099; 0.2230509 0.0313645 0.0307054 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= 769 769 769 769 769 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= 826 RedAO= T EigKep= 1.30D-06 NBF= 826 NBsUse= 822 1.00D-06 EigRej= 8.65D-07 NBFU= 822 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= 770 770 770 770 770 MxSgAt= 43 MxSgA2= 43. 1 -3.01346650e+00 2.92827719e-01 -1.95483203e-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 9 9 9 9 9 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 -0.007573714 -0.001718658 0.012883613 -0.005276906 0.003878075 -0.013319119 -0.004631637 0.013430052 0.002312957 -0.012114609 0.000503973 0.010179264 -0.007147360 0.000629072 -0.015115946 0.005213761 -0.013807882 0.000881834 -0.003445236 0.012256497 -0.004677461 -0.008352921 -0.009307240 0.005560589 -0.002968778 0.012045159 0.001389888 -0.004177748 -0.000803526 0.015177067 -0.007617614 0.002678921 -0.013816664 0.000863041 0.000210812 -0.004274853 0.003850154 -0.000923556 0.003416071 0.010702039 -0.004303438 -0.000647304 -0.003412046 0.000818825 0.000013672 0.006466060 -0.002267899 0.000170211 0.001985838 -0.002162216 0.004536887 0.002588979 -0.000004241 -0.004622521 0.004459929 0.001370194 -0.002706264 0.004404221 -0.000369921 0.003608113 -0.006428387 0.000755072 -0.000077223 0.000508672 0.002057183 0.000899281 0.000072931 -0.004775716 -0.001087019 -0.002286382 -0.000025750 -0.000728179 -0.006739304 0.000525272 -0.000179313 0.000188051 0.000190270 -0.003692421 0.000003879 -0.009519382 -0.002118039 0.007978221 -0.001286009 0.004397116 0.009872424 0.007684171 0.002862341 0.003546485 -0.005464415 0.001957193 0.005847354 0.004311508 -0.001950261 0.003703149 0.003169796 -0.002024980 0.002287441 -0.004560492 0.001669635 0.005300120 -0.001255945 -0.000204429 0.001341631 -0.000084625 -0.000084312 0.000312281 0.000118905 -0.000463083 0.002562831 -0.000295672 -0.001513959 -0.000852059 -0.000735541 0.000028351 -0.001470129 -0.001711456 -0.000118103 0.000304542 -0.001089449 0.001482923 -0.000418094 0.001283335 -0.000470593 -0.000906572 -0.001049842 0.000521360 0.001455461 -0.000394220 -0.000056321 0.015177067 0.005201573 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -3037.90874676805 -3037.90875811403 -0.000011345974 -3037.90875817227 -0.000000058244 -3037.90875821588 -0.000000043608 -3037.90875823198 -0.000000016096 -3037.90875823382 -0.000000001848 -3037.90875823426 -0.000000000436 -3037.90875823397 0.000000000287 -3037.90875823392 0.000000000049 -3037.90875823 9 3.028876586939e+03 -1.485370959281e+04 4.945442497932e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323125985 LenY= 11322385525 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) PT95638.800S 2024-08-24T03:21:59.000 Mulliken charges: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 Cl Cl Cl F F F F F O O O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H 0.325933 0.342001 0.430908 -0.083451 -0.056495 -0.135444 -0.133658 -0.142011 0.167865 -0.333825 -0.276273 -0.281299 -0.208615 0.232620 -0.291327 -1.594993 0.020787 -0.525074 0.468147 0.807330 -0.654939 -0.849945 -0.533163 1.885327 1.117312 0.503711 -0.582710 -0.403849 0.714869 -0.800390 -1.154283 0.298615 0.300241 -0.314807 0.190846 0.137065 0.329584 0.162929 0.146766 0.335798 0.144169 0.144086 0.149641 -0.00000 -101.57441 -101.57045 -101.56662 -24.73453 -24.72799 -24.72413 -24.72403 -24.72159 -19.20109 -19.14724 -19.12423 -14.39302 -14.37875 -14.34585 -10.44611 -10.34192 -10.33819 -10.31323 -10.31095 -10.31001 -10.26965 -10.26871 -10.26299 -10.26073 -10.25723 -10.24733 -10.24279 -10.23297 -10.23239 -10.22826 -10.22261 -10.22083 -10.20833 -10.20054 -9.48884 -9.48507 -9.48126 -7.25381 -7.24991 -7.24609 -7.24359 -7.24301 -7.23980 -7.23936 -7.23603 -7.23551 -1.33091 -1.27495 -1.26763 -1.24541 -1.23935 -1.13364 -1.10887 -1.08565 -0.98790 -0.98214 -0.96304 -0.92082 -0.91699 -0.90299 -0.89174 -0.85231 -0.84249 -0.82154 -0.79938 -0.79851 -0.77453 -0.75826 -0.73623 -0.71852 -0.69572 -0.67529 -0.67028 -0.66387 -0.65663 -0.64280 -0.61619 -0.61010 -0.60887 -0.60663 -0.59382 -0.59142 -0.58576 -0.57422 -0.56214 -0.55478 -0.54015 -0.53435 -0.52250 -0.51968 -0.51055 -0.50366 -0.49448 -0.49234 -0.48809 -0.48654 -0.48141 -0.47899 -0.47638 -0.47471 -0.47045 -0.46675 -0.46272 -0.45476 -0.44861 -0.44772 -0.44713 -0.44335 -0.43520 -0.43048 -0.42722 -0.42163 -0.41538 -0.41197 -0.40994 -0.40687 -0.39903 -0.38075 -0.37833 -0.37419 -0.36859 -0.34070 -0.33612 -0.32878 -0.32550 -0.32057 -0.31256 -0.31194 -0.30687 -0.30460 -0.30330 -0.29233 -0.27067 -0.26623 -0.24980 -0.08926 -0.06693 -0.05369 -0.05084 -0.04626 -0.04288 -0.01875 -0.01763 -0.01572 -0.01140 -0.00163 0.00231 0.01064 0.01259 0.01744 0.02139 0.02422 0.02875 0.03156 0.03448 0.03592 0.03909 0.04269 0.04468 0.04673 0.04911 0.05154 0.05700 0.06019 0.06323 0.06753 0.06871 0.07559 0.07699 0.07849 0.08410 0.08527 0.08691 0.08948 0.09190 0.09326 0.09408 0.09610 0.09689 0.10086 0.10466 0.10608 0.11092 0.11152 0.11491 0.11736 0.11982 0.12274 0.12547 0.12735 0.13033 0.13318 0.13587 0.13646 0.13722 0.13863 0.14183 0.14540 0.14984 0.15235 0.15408 0.15588 0.15781 0.15961 0.16158 0.16417 0.16611 0.16814 0.17106 0.17241 0.17472 0.17680 0.17844 0.18061 0.18296 0.18349 0.18531 0.18662 0.18875 0.19047 0.19482 0.19490 0.20012 0.20181 0.20279 0.20552 0.20783 0.21099 0.21238 0.21365 0.21502 0.21866 0.22062 0.22664 0.22729 0.23157 0.23272 0.23639 0.23800 0.24079 0.24223 0.24420 0.24604 0.24843 0.25212 0.25408 0.25665 0.25735 0.25879 0.26096 0.26614 0.26681 0.26940 0.27275 0.27613 0.27863 0.28091 0.28264 0.28603 0.28989 0.29036 0.29477 0.29656 0.29862 0.30171 0.30343 0.30672 0.31044 0.31509 0.31632 0.32073 0.32150 0.32405 0.32638 0.32902 0.33475 0.33742 0.34290 0.34364 0.34425 0.34589 0.34795 0.34907 0.35270 0.35571 0.35837 0.36013 0.36143 0.36350 0.36842 0.37194 0.37425 0.37771 0.38069 0.38240 0.38486 0.38911 0.39691 0.40581 0.40777 0.41371 0.41646 0.41820 0.42606 0.42669 0.43339 0.43497 0.43787 0.44513 0.45098 0.45906 0.46079 0.46657 0.47162 0.47491 0.47604 0.47669 0.48135 0.48469 0.49053 0.49197 0.49240 0.50173 0.50659 0.50935 0.50975 0.51337 0.51867 0.52324 0.53211 0.53935 0.54280 0.54733 0.54969 0.56254 0.56970 0.56983 0.57281 0.57744 0.58123 0.58367 0.58742 0.59490 0.59813 0.60192 0.60907 0.60992 0.61129 0.61666 0.62219 0.62513 0.62740 0.63566 0.64370 0.64692 0.64871 0.65449 0.66255 0.66379 0.66502 0.67525 0.67726 0.68153 0.68287 0.68620 0.68812 0.69245 0.69427 0.70083 0.70608 0.71273 0.71446 0.72158 0.72748 0.72893 0.73254 0.73439 0.73808 0.74591 0.75661 0.77183 0.77579 0.78834 0.79494 0.80338 0.80614 0.81796 0.81822 0.82417 0.83066 0.83582 0.83993 0.84423 0.84526 0.84736 0.85102 0.85435 0.85871 0.86801 0.86953 0.87088 0.87935 0.88228 0.88698 0.89453 0.89827 0.90461 0.90727 0.91074 0.91643 0.91850 0.92209 0.92472 0.93663 0.94731 0.95164 0.95699 0.96758 0.96910 0.97414 0.97711 0.98198 0.98407 0.98892 0.99424 0.99858 1.00549 1.01355 1.01476 1.01647 1.02272 1.02452 1.03258 1.04397 1.05115 1.05538 1.06087 1.06824 1.07145 1.07833 1.08342 1.08581 1.09665 1.10826 1.11328 1.12618 1.13503 1.14871 1.15433 1.16176 1.16499 1.17140 1.17383 1.17719 1.19736 1.20253 1.20685 1.21157 1.21508 1.22943 1.22981 1.24007 1.24246 1.25583 1.26315 1.27026 1.27780 1.28159 1.28712 1.29260 1.30699 1.31186 1.32092 1.32906 1.34635 1.36333 1.37045 1.37301 1.39612 1.39841 1.40082 1.41074 1.41189 1.41867 1.42022 1.42488 1.42636 1.43280 1.44357 1.45170 1.45475 1.46101 1.46920 1.47232 1.48111 1.49116 1.49772 1.49900 1.50566 1.51584 1.51670 1.52389 1.52857 1.52947 1.53824 1.54651 1.55011 1.55687 1.55978 1.56754 1.57315 1.58110 1.58776 1.60058 1.60249 1.61211 1.61638 1.62270 1.62689 1.64317 1.64934 1.65355 1.65713 1.67439 1.67533 1.68298 1.69494 1.70662 1.71112 1.72298 1.73714 1.75477 1.76034 1.76498 1.77295 1.78406 1.80523 1.80928 1.81301 1.82143 1.84128 1.85182 1.85686 1.85779 1.86090 1.87225 1.87610 1.88406 1.89511 1.89820 1.90076 1.91584 1.91908 1.92561 1.93060 1.93401 1.94213 1.94407 1.96062 1.96314 1.96721 1.96844 1.97481 1.99864 2.01237 2.01345 2.02053 2.04423 2.04826 2.05584 2.05876 2.07264 2.09674 2.10906 2.12076 2.12648 2.12820 2.13920 2.14242 2.18172 2.18798 2.19500 2.20217 2.20885 2.22720 2.24480 2.24859 2.27397 2.27973 2.28272 2.28546 2.29172 2.29355 2.30192 2.30748 2.33521 2.34047 2.34332 2.35317 2.36213 2.40815 2.41393 2.41779 2.43193 2.44218 2.46447 2.47786 2.49251 2.50336 2.51851 2.53868 2.54653 2.55828 2.56823 2.57891 2.59029 2.60238 2.61236 2.64043 2.65481 2.66151 2.67012 2.68381 2.68867 2.69175 2.70021 2.71329 2.72157 2.72442 2.72498 2.72777 2.73826 2.73970 2.75063 2.75743 2.75875 2.76006 2.76076 2.77986 2.79558 2.79938 2.80409 2.81938 2.82799 2.84072 2.85493 2.86145 2.88274 2.88641 2.88989 2.90260 2.90673 2.91791 2.92357 2.93332 2.93508 2.94145 2.96933 2.98338 3.02369 3.03583 3.04069 3.05245 3.07065 3.08886 3.09935 3.10450 3.10755 3.12069 3.13760 3.15252 3.16361 3.18957 3.19584 3.20232 3.21950 3.22653 3.25640 3.30339 3.31289 3.33605 3.33941 3.34534 3.34964 3.35823 3.36303 3.38367 3.40797 3.45196 3.46990 3.48871 3.49954 3.53394 3.56277 3.58923 3.59776 3.62077 3.65932 3.68997 3.69984 3.70360 3.72530 3.73660 3.73943 3.74468 3.75755 3.76138 3.76318 3.76675 3.76713 3.77330 3.79512 3.84161 3.84779 3.88529 3.89610 3.90241 3.90686 3.92529 3.93229 3.94038 3.95051 3.95602 3.96913 3.97009 3.99501 4.00050 4.01324 4.07808 4.09161 4.09722 4.10747 4.10830 4.11105 4.15865 4.19033 4.21467 4.26874 4.41522 4.49796 4.67222 4.70387 4.78794 4.82105 4.83647 4.85564 4.87055 4.89528 4.92275 4.93981 5.05576 5.06340 5.13365 5.17004 5.20205 5.26998 5.32923 5.44917 5.75016 5.84147 5.89115 6.29247 6.29540 6.32151 6.33280 6.35081 6.35920 6.37648 6.41983 6.45178 6.45767 6.46569 6.69914 6.70880 6.74751 6.76512 9.79146 9.80908 9.83317 23.48091 23.49188 23.50107 23.62733 23.82217 23.82385 23.84413 23.86307 23.87308 23.91226 23.91737 23.92853 23.99949 24.00594 24.02862 24.04120 24.04969 24.08273 24.12419 24.14151 25.85992 25.88597 25.93385 26.21315 26.25670 26.33816 26.65072 26.68761 26.77816 35.57015 35.63836 35.66964 49.96155 49.99735 50.02817 66.73535 66.75914 66.76785 66.78084 66.81503 215.78747 215.80705 215.83507 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 F F F F F O O O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H 0.361944 0.362639 0.450890 -0.082999 -0.065862 -0.139478 -0.133860 -0.154865 0.156356 -0.332772 -0.288655 -0.301540 -0.225400 0.233040 -0.331452 -1.652993 0.097137 -0.560912 0.440576 0.862370 -0.752799 -0.860275 -0.527845 2.227552 1.215707 0.505694 -0.554838 -0.363654 0.656554 -1.061663 -1.273784 0.340457 0.325800 -0.342654 0.196475 0.141486 0.338451 0.166688 0.150417 0.330934 0.147282 0.146829 0.153024 -0.00000 -3.23846730e+00 3.53529196e-01 -2.78019917e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -8.2314 0.8986 -0.7067 8.3104 -146.7629 -217.8365 -222.8803 -16.6226 2.0017 0.3391 49.0637 -22.0099 -27.0537 -16.6226 2.0017 0.3391 -823.0430 33.5414 -22.3889 -25.9485 44.6112 1.6238 37.7984 9.1979 1.2272 8.3853 -27576.0347 -2939.0709 -2362.8929 -1440.7595 402.2941 116.4197 9.4274 -2.8578 24.0883 -6470.5509 -6389.1018 -893.1724 118.8750 -26.6275 72.0983 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -3037.9087582 6.422E-9 1.056E-5 36.3829664,-16.2192412,-20.1637252,-12.5514125,-1.4947765,-0.1931291 C01 [X(C20H9Cl3F5N3O3)] 3.2393755 -0.3573935 -0.26204 0.000006847 0.000001899 -0.000005860 0.000003160 -0.000002646 0.000005394 0.000004147 -0.000011385 -0.000003134 0.000006957 -0.000002603 -0.000002737 0.000016129 -0.000007620 0.000034609 0.000004896 -0.000017780 0.000002433 0.000008552 -0.000015618 0.000007111 0.000016861 0.000010600 -0.000010614 -0.000016572 0.000008224 -0.000005933 0.000009690 0.000002936 -0.000012533 0.000014399 -0.000002718 0.000024048 0.000005529 -0.000000722 0.000005316 -0.000030992 -0.000019918 0.000005321 -0.000010811 0.000003997 -0.000000705 -0.000000752 -0.000006829 0.000006579 0.000028325 -0.000005160 0.000011927 -0.000004210 0.000002059 0.000008305 -0.000008018 0.000002387 -0.000012188 -0.000009192 0.000003648 -0.000017770 0.000001025 -0.000001534 0.000003863 -0.000003895 0.000002139 0.000006728 -0.000004195 -0.000027272 -0.000004396 0.000004135 -0.000007341 -0.000004337 -0.000006468 0.000006659 0.000001921 -0.000001434 0.000017212 0.000002789 0.000027901 0.000008440 -0.000006260 -0.000009787 0.000005936 -0.000002132 -0.000009155 -0.000001215 -0.000018678 -0.000017767 0.000037795 -0.000026687 -0.000000025 0.000010469 -0.000009242 -0.000015480 -0.000012983 0.000012795 -0.000003569 0.000002813 -0.000001405 0.000001760 0.000003973 -0.000000088 -0.000009414 -0.000001963 0.000001419 -0.000005906 0.000003420 -0.000006168 0.000000195 -0.000001338 0.000003600 -0.000003382 0.000002453 0.000005884 0.000002883 -0.000001565 -0.000000580 0.000002745 0.000001847 0.000002425 0.000000946 0.000010508 -0.000002849 0.000002079 -0.000003764 0.000001616 0.000001658 0.000001836 -0.000000718 0.000000203 0.000000726 0.000000932 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9037,.7181,2.9685;-1.5394,1.7468,-2.339;-5.6225,2.6781,.3533;-7.7633,-2.2765,.1436;-7.2666,-2.1488,-1.9656;-6.208,-3.5569,-.6885;7.225,1.4459,-1.5774;6.5434,-2.3701,1.1221;-2.8907,1.59,.3065;3.0437,-.1958,2.541;4.7403,.2003,-1.23;2.5591,.3707,.3558;4.729,-.217,1.0201;-3.4256,-.6089,-.1554;1.1806,.6412,.407;-1.5589,1.2246,.3274;.4172,.5538,1.5759;.5726,1.0153,-.7987;-.9403,.8453,1.5167;-.7832,1.3004,-.8291;-3.8156,.63,.0616;-5.7073,-1.2576,-.4251;-5.169,1.0242,.0544;6.7973,-.4538,-.2385;-6.1232,.059,-.1948;3.3646,-.0173,1.3836;-4.3501,-1.5437,-.3966;5.3314,-.1306,-.2141;-6.7285,-2.3131,-.7304;7.6857,.3387,-.9767;7.3557,-1.5688,.3921;9.0358,.0481,-1.0854;8.6941,-1.9069,.3002;9.5338,-1.0847,-.447;.87,.2628,2.5097;1.1502,1.0826,-1.7121;3.0264,.4598,-.5459;-7.1729,.3234,-.2041;-3.988,-2.5504,-.5668;5.2764,-.533,1.8088;9.67,.7086,-1.6616;9.0525,-2.7945,.804;10.586,-1.3276,-.5298; Gaussian 16 GINC-GANDULLAS ALCAMI Optimization Chlorfluazuron CONF4 gas EM64L-G16RevC.01 123 C1[X(C20H9Cl3F5N3O3)] 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 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9037,.7181,2.9685;-1.5394,1.7468,-2.339;-5.6225,2.6781,.3533;-7.7633,-2.2765,.1436;-7.2666,-2.1488,-1.9656;-6.208,-3.5569,-.6885;7.225,1.4459,-1.5774;6.5434,-2.3701,1.1221;-2.8907,1.59,.3065;3.0437,-.1958,2.541;4.7403,.2003,-1.23;2.5591,.3707,.3558;4.729,-.217,1.0201;-3.4256,-.6089,-.1554;1.1806,.6412,.407;-1.5589,1.2246,.3274;.4172,.5538,1.5759;.5726,1.0153,-.7987;-.9403,.8453,1.5167;-.7832,1.3004,-.8291;-3.8156,.63,.0616;-5.7073,-1.2576,-.4251;-5.169,1.0242,.0544;6.7973,-.4538,-.2385;-6.1232,.059,-.1948;3.3646,-.0173,1.3836;-4.3501,-1.5437,-.3966;5.3314,-.1306,-.2141;-6.7285,-2.3131,-.7304;7.6857,.3387,-.9767;7.3557,-1.5688,.3921;9.0358,.0481,-1.0854;8.6941,-1.9069,.3002;9.5338,-1.0847,-.447;.87,.2628,2.5097;1.1502,1.0826,-1.7121;3.0264,.4598,-.5459;-7.1729,.3234,-.2041;-3.988,-2.5504,-.5668;5.2764,-.533,1.8088;9.67,.7086,-1.6616;9.0525,-2.7945,.804;10.586,-1.3276,-.5298; Optimization Chlorfluazuron CONF4 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 19 19 19 19 19 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 1 1 1 1 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 2 3 4 5 6 7 8 9 9 10 11 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 21 22 22 22 23 24 24 24 25 27 30 31 32 32 33 33 34 19 20 23 29 29 29 30 31 16 21 26 28 15 26 37 26 28 40 21 27 17 18 19 20 19 35 20 36 23 25 27 29 25 28 30 31 38 39 32 33 34 41 34 42 43 1.7469 1.7467 1.7408 1.355 1.3573 1.349 1.3412 1.3546 1.3812 1.3553 1.2142 1.2211 1.4057 1.3623 1.0194 1.4261 1.3761 1.0107 1.3168 1.3367 1.3989 1.4012 1.3932 1.3945 1.3897 1.0778 1.3858 1.0828 1.4096 1.3997 1.3874 1.5 1.38 1.5013 1.4008 1.3974 1.0825 1.0833 1.3852 1.3835 1.3925 1.0819 1.3925 1.0818 1.083 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 16 15 15 26 26 26 28 21 12 12 17 9 9 19 15 15 19 15 15 20 1 1 16 2 2 16 9 9 14 25 25 27 3 3 21 28 28 30 22 22 23 10 10 12 14 14 22 11 11 13 4 4 4 5 5 6 7 7 24 8 8 24 30 30 34 31 31 34 32 32 33 9 12 12 12 13 13 13 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 27 27 27 28 28 28 29 29 29 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 21 26 37 37 28 40 40 27 17 18 18 19 20 20 19 35 35 20 36 36 16 17 17 16 18 18 14 23 23 27 29 29 21 25 25 30 31 31 23 38 38 12 13 13 22 39 39 13 24 24 5 6 22 6 22 22 24 32 32 24 33 33 34 41 41 34 42 42 33 43 43 118.2532 127.3842 117.7003 114.9123 129.6968 111.2823 118.8452 118.8718 123.6096 116.463 119.9273 120.8638 120.6249 118.4122 118.9713 120.7691 120.2593 119.8917 120.7268 119.3813 118.975 119.2102 121.812 119.3395 119.674 120.9838 119.6055 117.261 123.1335 118.7685 119.5409 121.671 120.9915 121.0246 117.9839 120.4002 123.6834 115.8363 118.8259 121.0967 120.0763 127.2137 118.378 114.407 122.4163 116.5563 121.0268 123.4545 121.1656 115.3735 106.3205 107.4299 111.6897 107.0294 111.7124 112.3188 119.0246 118.2182 122.7336 118.3979 118.1246 123.4743 118.9032 119.0134 122.0833 118.3424 119.3411 122.3163 120.7027 119.6639 119.6331 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 21 21 16 16 26 26 37 37 15 15 37 37 28 28 40 40 26 26 40 40 27 27 21 21 12 12 18 18 12 12 17 17 9 9 20 20 9 9 19 19 15 15 35 35 15 15 36 36 9 9 14 14 27 27 29 29 25 25 29 29 25 25 25 27 27 27 3 3 21 21 30 30 31 31 28 28 31 31 28 28 30 30 7 7 24 24 8 8 24 24 30 30 41 41 31 31 42 42 9 9 9 9 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 16 16 21 21 15 15 15 15 26 26 26 26 26 26 26 26 28 28 28 28 21 21 27 27 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 19 19 19 19 20 20 20 20 23 23 23 23 25 25 25 25 27 27 27 27 29 29 29 29 29 29 25 25 25 25 28 28 28 28 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 34 34 34 34 34 34 34 34 19 20 14 23 17 18 17 18 10 13 10 13 10 12 10 12 11 24 11 24 9 23 22 39 19 35 19 35 20 36 20 36 1 17 1 17 2 18 2 18 1 16 1 16 2 16 2 16 3 25 3 25 23 38 23 38 14 39 14 39 4 5 6 4 5 6 22 38 22 38 11 13 11 13 7 32 7 32 8 33 8 33 34 41 34 41 34 42 34 42 33 43 33 43 32 43 32 43 -91.6328 92.0453 -0.4036 179.571 0.5005 -179.4682 179.8103 -0.1584 -0.4218 -179.996 -179.748 0.6778 177.3354 -3.0499 2.2942 -178.0912 2.9245 -177.9903 177.6486 -3.2662 -179.9428 0.0842 -0.09 -179.8097 179.901 -0.261 -0.1313 179.7067 -179.9004 0.257 0.1296 -179.713 4.6699 -175.9478 -178.9285 0.4538 -4.6318 175.9577 178.9577 -0.4528 179.2156 -0.1652 -0.6232 179.9959 -179.2402 0.1683 0.6045 -179.987 -0.1626 179.9344 179.811 -0.0919 -0.108 -179.7316 -178.5265 1.8499 0.1033 179.8107 178.4865 -1.8061 -48.0294 70.9108 -168.8096 133.5995 -107.4603 12.8194 -179.8017 -0.1741 0.1013 179.7288 42.2146 -136.8934 -134.3943 46.4977 4.9907 -176.8109 -178.1442 0.0541 -3.3675 175.9664 179.8821 -0.784 178.8428 -1.0517 0.6307 -179.2638 -179.8738 0.2707 0.7905 -179.0649 -0.6298 179.5547 179.2613 -0.5542 -0.0508 179.7647 179.8001 -0.3844 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00018 0.00269 0.00351 0.00419 0.00488 0.00704 0.01052 0.01214 0.01277 0.01356 0.01416 0.01523 0.01661 0.01724 0.01746 0.01845 0.01878 0.01939 0.02065 0.02100 0.02248 0.02310 0.02321 0.02325 0.02463 0.02525 0.02784 0.02839 0.02867 0.02957 0.02974 0.03369 0.03518 0.03530 0.03575 0.04157 0.05384 0.05611 0.10574 0.11009 0.11460 0.11568 0.12073 0.12089 0.12098 0.12349 0.12876 0.13113 0.13844 0.15492 0.16113 0.16831 0.17481 0.17946 0.18343 0.18573 0.18631 0.18865 0.19237 0.19413 0.19856 0.19945 0.20214 0.20522 0.20927 0.21287 0.21436 0.22350 0.22635 0.23044 0.24045 0.24148 0.24806 0.25120 0.25744 0.25810 0.25884 0.25969 0.26936 0.29861 0.31145 0.32961 0.33212 0.33764 0.34009 0.34313 0.34685 0.35865 0.35890 0.35940 0.36028 0.36202 0.36351 0.36550 0.36685 0.37392 0.38617 0.40014 0.40520 0.41483 0.41782 0.42863 0.43813 0.44315 0.44720 0.45962 0.46355 0.46582 0.46924 0.47207 0.47222 0.47456 0.48609 0.49223 0.50279 0.51166 0.52023 0.52528 0.56913 0.58478 0.68934 0.81734 0.82649 Angle between quadratic step and forces= 75.71 degrees. 1 2 0.00030649 0.00000014 0.00000005 0.00000003 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 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 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 3.30118 3.30074 3.28960 2.56053 2.56485 2.54924 2.53455 2.55981 2.61016 2.56119 2.29445 2.30749 2.65648 2.57431 1.92646 2.69494 2.60045 1.91003 2.48847 2.52603 2.64354 2.64780 2.63277 2.63529 2.62623 2.03677 2.61872 2.04622 2.66383 2.64510 2.62176 2.83462 2.60776 2.83701 2.64717 2.64071 2.04567 2.04705 2.61769 2.61443 2.63139 2.04456 2.63153 2.04433 2.04656 2.06391 2.22327 2.05426 2.00560 2.26364 1.94224 2.07424 2.07470 2.15740 2.03266 2.09313 2.10947 2.10530 2.06668 2.07644 2.10782 2.09892 2.09250 2.10708 2.08360 2.07651 2.08061 2.12602 2.08287 2.08871 2.11157 2.08751 2.04659 2.14908 2.07290 2.08638 2.12356 2.11170 2.11228 2.05921 2.10138 2.15868 2.02172 2.07390 2.11354 2.09573 2.22030 2.06609 1.99678 2.13657 2.03429 2.11232 2.15469 2.11474 2.01365 1.85564 1.87501 1.94935 1.86802 1.94975 1.96033 2.07737 2.06330 2.14210 2.06643 2.06166 2.15503 2.07525 2.07718 2.13076 2.06547 2.08290 2.13482 2.10666 2.08853 2.08799 -1.59929 1.60649 -0.00704 3.13411 0.00874 -3.13231 3.13828 -0.00277 -0.00736 -3.14152 -3.13719 0.01183 3.09509 -0.05323 0.04004 -3.10828 0.05104 -3.10652 3.10055 -0.05701 -3.14059 0.00147 -0.00157 -3.13827 3.13986 -0.00456 -0.00229 3.13647 -3.13985 0.00449 0.00226 -3.13658 0.08150 -3.07087 -3.12289 0.00792 -0.08084 3.07104 3.12340 -0.00790 3.12790 -0.00288 -0.01088 3.14152 -3.12833 0.00294 0.01055 -3.14137 -0.00284 3.14045 3.13829 -0.00160 -0.00189 -3.13691 -3.11588 0.03229 0.00180 3.13829 3.11518 -0.03152 -0.83827 1.23763 -2.94628 2.33175 -1.87554 0.22374 -3.13813 -0.00304 0.00177 3.13686 0.73678 -2.38924 -2.34562 0.81154 0.08710 -3.08593 -3.10920 0.00094 -0.05877 3.07119 3.13953 -0.01368 3.12140 -0.01836 0.01101 -3.12874 -3.13939 0.00473 0.01380 -3.12527 -0.01099 3.13382 3.12870 -0.00967 -0.00089 3.13749 3.13810 -0.00671 -0.00001 -0.00001 -0.00001 -0.00001 -0.00004 0.00002 -0.00002 -0.00002 0.00002 0.00001 -0.00001 -0.00003 0.00001 -0.00000 -0.00001 -0.00003 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00003 -0.00002 -0.00001 0.00000 0.00000 -0.00000 0.00001 0.00003 -0.00002 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00003 -0.00004 -0.00001 -0.00013 0.00009 -0.00005 -0.00007 0.00006 0.00001 -0.00001 -0.00004 0.00000 -0.00000 -0.00002 -0.00011 0.00000 -0.00001 -0.00002 -0.00000 -0.00001 0.00003 -0.00005 -0.00001 0.00001 -0.00002 -0.00002 -0.00001 -0.00002 0.00003 -0.00002 -0.00005 -0.00001 -0.00002 0.00002 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00002 -0.00000 0.00000 -0.00001 0.00007 -0.00006 -0.00001 0.00004 0.00005 0.00000 0.00003 0.00006 -0.00005 -0.00001 0.00002 -0.00002 -0.00000 -0.00001 0.00002 -0.00001 0.00000 -0.00002 0.00002 0.00002 -0.00004 0.00002 -0.00000 -0.00000 0.00000 0.00002 0.00002 -0.00004 -0.00004 0.00002 0.00002 -0.00002 -0.00001 0.00003 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00003 0.00000 0.00003 0.00001 -0.00003 0.00002 -0.00001 0.00001 -0.00000 0.00003 -0.00003 -0.00000 -0.00001 0.00004 -0.00003 0.00001 -0.00001 0.00000 0.00003 -0.00001 -0.00002 -0.00001 0.00004 -0.00003 0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00000 -0.00003 -0.00005 -0.00002 0.00004 0.00015 0.00014 0.00013 0.00012 -0.00031 -0.00042 -0.00029 -0.00040 0.00085 0.00095 -0.00045 -0.00036 -0.00075 -0.00079 0.00063 0.00060 0.00004 -0.00002 -0.00000 0.00003 0.00004 0.00002 0.00004 0.00003 -0.00002 -0.00002 -0.00002 -0.00002 -0.00004 -0.00001 -0.00002 0.00001 0.00004 0.00004 0.00001 0.00001 -0.00001 -0.00004 0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00005 -0.00003 0.00001 0.00003 -0.00002 -0.00001 0.00001 0.00002 0.00002 -0.00001 -0.00000 -0.00003 0.00023 0.00030 0.00030 0.00026 0.00033 0.00032 0.00001 0.00000 -0.00001 -0.00002 -0.00010 -0.00006 -0.00009 -0.00006 0.00000 -0.00002 -0.00000 -0.00002 0.00002 0.00002 0.00002 0.00002 -0.00000 0.00001 0.00001 0.00002 -0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00002 -0.00002 0.00001 0.00001 -0.00002 -0.00001 -0.00004 -0.00003 -0.00003 -0.00004 -0.00001 -0.00013 0.00009 -0.00005 -0.00007 0.00006 0.00001 -0.00001 -0.00004 0.00000 -0.00000 -0.00002 -0.00011 0.00000 -0.00001 -0.00002 -0.00000 -0.00001 0.00003 -0.00005 -0.00001 0.00001 -0.00002 -0.00002 -0.00001 -0.00002 0.00003 -0.00002 -0.00005 -0.00001 -0.00002 0.00002 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00001 -0.00002 -0.00000 0.00000 -0.00001 0.00007 -0.00006 -0.00001 0.00004 0.00005 0.00000 0.00003 0.00006 -0.00005 -0.00001 0.00002 -0.00002 -0.00000 -0.00001 0.00002 -0.00001 0.00000 -0.00002 0.00002 0.00002 -0.00004 0.00002 -0.00000 -0.00000 0.00000 0.00002 0.00002 -0.00004 -0.00004 0.00002 0.00002 -0.00002 -0.00001 0.00003 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00003 0.00000 0.00003 0.00001 -0.00003 0.00002 -0.00001 0.00001 -0.00000 0.00003 -0.00003 -0.00000 -0.00001 0.00004 -0.00003 0.00001 -0.00001 0.00000 0.00003 -0.00001 -0.00002 -0.00001 0.00004 -0.00003 0.00001 0.00001 -0.00002 0.00001 -0.00001 -0.00000 -0.00003 -0.00005 -0.00002 0.00004 0.00015 0.00014 0.00013 0.00012 -0.00031 -0.00042 -0.00029 -0.00040 0.00085 0.00095 -0.00045 -0.00036 -0.00075 -0.00079 0.00063 0.00060 0.00004 -0.00002 -0.00000 0.00003 0.00004 0.00002 0.00004 0.00003 -0.00002 -0.00002 -0.00002 -0.00002 -0.00004 -0.00001 -0.00002 0.00001 0.00004 0.00004 0.00001 0.00001 -0.00001 -0.00004 0.00001 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00005 -0.00003 0.00001 0.00003 -0.00002 -0.00001 0.00001 0.00002 0.00002 -0.00001 -0.00000 -0.00003 0.00023 0.00030 0.00030 0.00026 0.00033 0.00032 0.00001 0.00000 -0.00001 -0.00002 -0.00010 -0.00006 -0.00009 -0.00006 0.00000 -0.00002 -0.00000 -0.00002 0.00002 0.00002 0.00002 0.00002 -0.00000 0.00001 0.00001 0.00002 -0.00002 0.00000 -0.00001 0.00000 -0.00001 0.00002 -0.00002 0.00001 0.00001 -0.00002 -0.00001 -0.00004 3.30115 3.30071 3.28957 2.56051 2.56472 2.54932 2.53451 2.55974 2.61023 2.56120 2.29444 2.30745 2.65648 2.57430 1.92644 2.69483 2.60045 1.91001 2.48845 2.52602 2.64353 2.64782 2.63271 2.63528 2.62624 2.03675 2.61869 2.04621 2.66380 2.64512 2.62174 2.83457 2.60774 2.83699 2.64719 2.64072 2.04567 2.04705 2.61767 2.61444 2.63138 2.04455 2.63151 2.04433 2.04656 2.06390 2.22334 2.05420 2.00559 2.26368 1.94229 2.07424 2.07473 2.15746 2.03261 2.09311 2.10949 2.10529 2.06668 2.07643 2.10784 2.09891 2.09251 2.10706 2.08362 2.07652 2.08057 2.12604 2.08287 2.08870 2.11157 2.08753 2.04661 2.14904 2.07287 2.08640 2.12358 2.11168 2.11227 2.05924 2.10137 2.15868 2.02173 2.07391 2.11353 2.09573 2.22027 2.06609 1.99681 2.13658 2.03426 2.11234 2.15468 2.11475 2.01364 1.85568 1.87497 1.94935 1.86800 1.94979 1.96031 2.07738 2.06329 2.14211 2.06647 2.06165 2.15501 2.07524 2.07721 2.13073 2.06548 2.08291 2.13480 2.10667 2.08852 2.08799 -1.59932 1.60644 -0.00706 3.13414 0.00888 -3.13217 3.13841 -0.00264 -0.00767 3.14125 -3.13749 0.01143 3.09594 -0.05228 0.03959 -3.10863 0.05029 -3.10730 3.10119 -0.05641 -3.14056 0.00145 -0.00157 -3.13824 3.13991 -0.00453 -0.00225 3.13650 -3.13987 0.00447 0.00224 -3.13661 0.08146 -3.07088 -3.12291 0.00793 -0.08080 3.07108 3.12341 -0.00789 3.12789 -0.00293 -0.01087 3.14150 -3.12834 0.00293 0.01055 -3.14137 -0.00289 3.14042 3.13830 -0.00158 -0.00190 -3.13691 -3.11587 0.03231 0.00182 3.13828 3.11518 -0.03156 -0.83804 1.23793 -2.94599 2.33201 -1.87521 0.22406 -3.13812 -0.00304 0.00176 3.13684 0.73669 -2.38930 -2.34571 0.81148 0.08711 -3.08595 -3.10921 0.00092 -0.05875 3.07121 3.13956 -0.01366 3.12139 -0.01835 0.01102 -3.12872 -3.13941 0.00473 0.01378 -3.12527 -0.01100 3.13384 3.12868 -0.00967 -0.00088 3.13747 3.13809 -0.00675 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000038 0.000007 0.001354 0.000306 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.860783e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 1 2 3 4 5 6 7 8 9 9 10 11 12 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 21 22 22 22 23 24 24 24 25 27 30 31 32 32 33 33 34 19 20 23 29 29 29 30 31 16 21 26 28 15 26 37 26 28 40 21 27 17 18 19 20 19 35 20 36 23 25 27 29 25 28 30 31 38 39 32 33 34 41 34 42 43 1.7469 1.7467 1.7408 1.355 1.3573 1.349 1.3412 1.3546 1.3812 1.3553 1.2142 1.2211 1.4057 1.3623 1.0194 1.4261 1.3761 1.0107 1.3168 1.3367 1.3989 1.4012 1.3932 1.3945 1.3897 1.0778 1.3858 1.0828 1.4096 1.3997 1.3874 1.5 1.38 1.5013 1.4008 1.3974 1.0825 1.0833 1.3852 1.3835 1.3925 1.0819 1.3925 1.0818 1.083 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 16 15 15 26 26 26 28 21 12 12 17 9 9 19 15 15 19 15 15 20 1 1 16 2 2 16 9 9 14 25 25 27 3 3 21 28 28 30 22 22 23 10 10 12 14 14 22 11 11 13 4 4 4 5 5 6 7 7 24 8 8 24 30 30 34 31 31 34 32 32 33 9 12 12 12 13 13 13 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 27 27 27 28 28 28 29 29 29 29 29 29 30 30 30 31 31 31 32 32 32 33 33 33 34 34 34 21 26 37 37 28 40 40 27 17 18 18 19 20 20 19 35 35 20 36 36 16 17 17 16 18 18 14 23 23 27 29 29 21 25 25 30 31 31 23 38 38 12 13 13 22 39 39 13 24 24 5 6 22 6 22 22 24 32 32 24 33 33 34 41 41 34 42 42 33 43 43 118.2532 127.3842 117.7003 114.9123 129.6968 111.2823 118.8452 118.8718 123.6096 116.463 119.9273 120.8638 120.6249 118.4122 118.9713 120.7691 120.2593 119.8917 120.7268 119.3813 118.975 119.2102 121.812 119.3395 119.674 120.9838 119.6055 117.261 123.1335 118.7685 119.5409 121.671 120.9915 121.0246 117.9839 120.4002 123.6834 115.8363 118.8259 121.0967 120.0763 127.2137 118.378 114.407 122.4163 116.5563 121.0268 123.4545 121.1656 115.3735 106.3205 107.4299 111.6897 107.0294 111.7124 112.3188 119.0246 118.2182 122.7336 118.3979 118.1246 123.4743 118.9032 119.0134 122.0833 118.3424 119.3411 122.3163 120.7027 119.6639 119.6331 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 21 21 16 16 26 26 37 37 15 15 37 37 28 28 40 40 26 26 40 40 27 27 21 21 12 12 18 18 12 12 17 17 9 9 20 20 9 9 19 19 15 15 35 35 15 15 36 36 9 9 14 14 27 27 29 29 25 25 29 29 25 25 25 27 27 27 3 3 21 21 30 30 31 31 28 28 31 31 28 28 30 30 7 7 24 24 8 8 24 24 30 30 41 41 31 31 42 9 9 9 9 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 21 21 21 21 22 22 22 22 22 22 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 24 24 24 24 24 24 24 24 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 16 16 21 21 15 15 15 15 26 26 26 26 26 26 26 26 28 28 28 28 21 21 27 27 17 17 17 17 18 18 18 18 19 19 19 19 20 20 20 20 19 19 19 19 20 20 20 20 23 23 23 23 25 25 25 25 27 27 27 27 29 29 29 29 29 29 25 25 25 25 28 28 28 28 30 30 30 30 31 31 31 31 32 32 32 32 33 33 33 33 34 34 34 34 34 34 34 19 20 14 23 17 18 17 18 10 13 10 13 10 12 10 12 11 24 11 24 9 23 22 39 19 35 19 35 20 36 20 36 1 17 1 17 2 18 2 18 1 16 1 16 2 16 2 16 3 25 3 25 23 38 23 38 14 39 14 39 4 5 6 4 5 6 22 38 22 38 11 13 11 13 7 32 7 32 8 33 8 33 34 41 34 41 34 42 34 42 33 43 33 43 32 43 32 -91.6328 92.0453 -0.4036 179.571 0.5005 -179.4682 179.8103 -0.1584 -0.4218 180.004 -179.748 0.6778 177.3354 -3.0499 2.2942 -178.0912 2.9245 -177.9903 177.6486 -3.2662 -179.9428 0.0842 -0.09 -179.8097 179.901 -0.261 -0.1313 179.7067 -179.9004 0.257 0.1296 -179.713 4.6699 -175.9478 -178.9285 0.4538 -4.6318 175.9577 178.9577 -0.4528 179.2156 -0.1652 -0.6232 179.9959 -179.2402 0.1683 0.6045 -179.987 -0.1626 179.9344 179.811 -0.0919 -0.108 -179.7316 -178.5265 1.8499 0.1033 179.8107 178.4865 -1.8061 -48.0294 70.9108 -168.8096 133.5995 -107.4603 12.8194 -179.8017 -0.1741 0.1013 179.7288 42.2146 -136.8934 -134.3943 46.4977 4.9907 -176.8109 -178.1442 0.0541 -3.3675 175.9664 179.8821 -0.784 178.8428 -1.0517 0.6307 -179.2638 -179.8738 0.2707 0.7905 -179.0649 -0.6298 179.5547 179.2613 -0.5542 -0.0508 179.7647 179.8001 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 860 A 826 A 826 1347 860 135 135 3841.5317545602 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 -0.0500048577 0.000000 5.418478 0.000000 4.950798 4.978694 0.000000 7.161124 7.815815 5.401311 0.000000 7.830979 6.936574 5.601643 2.170644 0.000000 7.083452 7.255971 6.348421 2.179627 2.175862 0.000000 10.223890 8.802580 13.050095 15.539212 14.935848 14.361883 0.000000 9.181479 9.708755 13.194132 14.340410 14.152700 12.933849 4.723779 0.000000 2.969896 2.974817 2.940871 6.222325 6.187785 6.203547 10.290712 10.264052 0.000000 5.049185 6.970780 9.388703 11.263481 11.420333 10.359469 6.094242 4.357632 6.587774 0.000000 7.876441 6.561700 10.771925 12.820317 12.256608 11.587674 2.801097 3.923119 7.907290 4.154032 0.000000 5.182983 5.094419 8.500766 10.658495 10.405782 9.663200 5.163741 4.896307 5.584798 2.308819 2.702138 0.000000 6.975900 7.377823 10.769394 12.691175 12.511574 11.562471 3.967657 2.817505 7.863504 2.270221 2.288511 2.344152 0.000000 3.719616 3.724948 3.986126 4.656777 4.516764 4.088567 10.939848 10.203690 2.309632 7.020847 8.275969 6.085841 8.248190 0.000000 4.009987 4.020040 7.101678 9.411420 9.206942 8.568244 6.412518 6.191892 4.181620 2.953913 3.942817 1.405747 3.701843 4.805832 0.000000 2.711218 2.717096 4.315841 7.126394 7.015346 6.745980 8.990780 8.899465 1.381239 5.301010 6.569205 4.205677 6.488087 2.660696 2.802016 0.000000 2.711573 4.536294 6.518087 8.773934 8.881818 8.118993 7.555519 6.803371 3.691536 2.896813 5.166026 2.471857 4.415289 4.372235 1.398899 2.431798 0.000000 4.517902 2.714371 6.516934 9.011638 8.533768 8.178789 6.711732 7.127554 3.680499 4.327404 4.268562 2.386379 4.701336 4.363150 1.401154 2.419660 2.424029 0.000000 1.746910 4.004769 5.160959 7.627761 7.817411 7.210373 8.752589 8.154821 2.413131 4.243254 6.342769 3.717424 5.789352 3.329717 2.402423 1.393200 1.389740 2.771089 0.000000 4.001957 1.746676 5.168604 7.903197 7.431145 7.282868 8.044481 8.423751 2.411431 5.314209 5.646292 3.665999 6.008872 3.328831 2.412237 1.394534 2.789702 1.385764 2.394704 0.000000 3.480364 3.491630 2.746715 4.902876 4.872403 4.880158 11.191431 10.836747 1.355325 7.340220 8.663546 6.386778 8.639822 1.316841 5.008147 2.348840 4.496186 4.488278 3.229685 3.230794 0.000000 5.466917 5.482835 4.012770 2.363965 2.366130 2.367857 13.262099 12.398097 4.071494 9.300800 10.579549 8.461389 10.587181 2.387449 7.193155 4.892558 6.692923 6.689007 5.560290 5.563551 2.716339 0.000000 4.387253 4.407319 1.740782 4.199105 4.306700 4.755773 12.508101 12.241007 2.360971 8.667149 10.026115 7.761548 10.022154 2.397996 6.370900 3.625982 5.808795 5.804581 4.477956 4.482365 1.409636 2.392936 0.000000 9.346954 8.874404 12.822281 14.679199 14.270569 13.377937 2.363122 2.363932 9.916275 4.677815 2.375339 4.358366 2.432703 10.224436 5.758759 8.541842 6.709206 6.420270 8.039898 7.803253 10.672359 12.531867 12.060809 0.000000 5.314635 5.334595 2.722290 2.873758 3.052356 3.650353 13.491146 12.964509 3.611689 9.569807 10.913657 8.705349 10.923493 2.779339 7.351659 4.739689 6.793936 6.790627 5.514517 5.518941 2.391001 1.399724 1.379965 12.930786 0.000000 5.550397 6.404578 9.438972 11.422341 11.348195 10.414192 5.080546 3.963484 6.547693 1.214170 2.961659 1.362264 1.426098 6.987478 2.481390 5.186341 3.008339 3.691098 4.392492 4.882279 7.329513 9.333233 8.699048 3.821747 9.618492 0.000000 4.735426 4.743503 4.472675 3.532477 3.366552 2.754926 12.013164 11.029876 3.527626 8.069310 9.293642 7.208885 9.284234 1.336715 6.000690 3.997319 5.569346 5.562640 4.581968 4.582401 2.284895 1.387374 2.732789 11.201699 2.398591 8.063197 0.000000 7.949607 7.432884 11.322528 13.274175 12.878295 12.046656 2.815965 2.875727 8.416395 3.581714 1.221071 2.874353 1.376098 8.770281 4.267435 7.043162 5.274707 4.929697 6.579024 6.309928 9.182769 11.098164 10.567161 1.501281 11.456241 2.536598 9.785822 0.000000 6.793262 6.782139 5.225796 1.354974 1.357260 1.348997 14.475806 13.400721 5.571122 10.520456 11.751615 9.728412 11.778455 3.760866 8.519120 6.352871 8.037372 8.024240 6.966166 6.957936 4.215914 1.500017 3.766321 13.661889 2.505930 10.564555 2.521936 12.266702 0.000000 10.376191 9.430858 13.577581 15.708789 15.190043 14.432389 1.341228 3.612193 10.727261 5.848809 2.959544 5.297066 3.610860 11.181875 6.657546 9.378067 7.706744 7.147510 8.993508 8.524678 11.551805 13.499157 12.914227 1.400821 13.833904 4.936659 12.195969 2.518842 14.658220 0.000000 9.879486 9.878001 13.655475 15.137587 14.822517 13.751146 3.603386 1.354593 10.722648 5.009645 3.549844 5.174006 3.020152 10.837815 6.558710 9.342224 7.351878 7.355757 8.713055 8.715859 11.390479 13.092313 12.794786 1.397405 13.589560 4.395413 11.732399 2.556089 14.148497 2.370910 0.000000 11.685635 10.783800 14.961657 17.003557 16.473219 15.669212 2.339800 4.114931 12.106034 7.008216 4.300570 6.642892 4.801192 12.513264 8.017634 10.752958 9.034265 8.523119 10.340657 9.901846 12.915575 14.815524 14.283797 2.445334 15.185113 6.185700 13.497757 3.809594 15.944064 1.385219 2.760396 0.000000 11.239395 11.182080 15.032983 16.462288 16.122540 15.025724 4.113937 2.348580 12.101117 6.314798 4.734366 6.544361 4.369909 12.197544 7.934568 10.720571 8.728696 8.700959 10.093435 10.068865 12.766615 14.434337 14.171730 2.449384 14.955377 5.757487 13.067873 3.837603 15.462375 2.773075 1.383497 2.420389 0.000000 12.071970 11.585042 15.636940 17.348156 16.902428 15.936559 3.607297 3.613435 12.731531 7.200025 5.024173 7.170038 5.098202 12.971442 8.572328 11.356966 9.481041 9.210787 10.830034 10.596074 13.468741 15.242175 14.861774 2.816039 15.700794 6.523080 13.891610 4.315635 16.311132 2.392149 2.383801 1.392469 1.392548 0.000000 2.848004 5.614024 7.255108 9.304824 9.594171 8.655413 7.647903 6.406657 4.556161 2.221728 5.382286 2.739362 4.164262 5.129810 2.158996 3.403973 1.077811 3.405916 2.145381 3.867463 5.299353 7.361131 6.563398 6.572618 7.500763 2.751236 6.241773 5.241993 8.652809 7.656049 7.064248 8.924704 8.414661 9.253102 0.000000 5.600574 2.840378 7.258115 9.704448 9.019301 8.758697 6.087217 7.002955 4.545452 4.827848 3.728276 2.601562 4.686339 5.120751 2.164745 3.393887 3.409981 1.082814 3.853816 2.136633 5.292442 7.359240 6.561677 6.035094 7.500138 3.961940 6.235479 4.604224 8.635275 6.618750 7.068709 7.977812 8.360474 8.751219 4.309785 0.000000 6.059928 5.071268 8.973988 11.152511 10.712836 10.071079 4.434559 4.812487 6.084089 3.155718 1.863605 1.019440 2.410210 6.551516 2.085114 4.729899 3.364324 2.528598 4.487517 3.911518 6.871017 8.901779 8.236685 3.892184 9.165090 2.016181 7.645167 2.402485 10.142997 4.680808 4.872181 6.047581 6.200010 6.688971 3.745036 2.295251 0.000000 6.163211 6.190367 2.873786 2.688648 3.037027 4.027713 14.506779 14.041058 4.494634 10.591640 11.957944 9.748209 11.976880 3.861845 8.381838 5.710675 7.799423 7.798995 6.486764 6.494059 3.381702 2.167089 2.138563 13.991869 1.082524 10.661846 3.389914 12.512582 2.724993 14.878722 14.663458 16.234932 16.030941 16.767734 8.488618 8.492584 10.205908 0.000000 5.246446 5.253819 5.554705 3.851254 3.587050 2.440491 11.946732 10.667520 4.371407 8.040304 9.175498 7.228302 9.162362 2.062759 6.152159 4.577178 5.799407 5.793695 5.015940 5.016741 3.246461 2.155811 3.815510 10.992138 3.392063 8.017540 1.083252 9.634925 2.755618 12.032941 11.426443 13.290584 12.728022 13.601575 6.401506 6.396204 7.633023 4.305095 0.000000 7.379919 8.297960 11.454921 13.260628 13.197805 12.135480 4.379482 2.334920 8.571202 2.373750 3.171719 3.211140 1.010743 8.921211 4.485466 7.211395 4.984671 5.596633 6.374362 6.858469 9.331104 11.231969 10.705546 2.551697 11.589458 2.025271 9.927442 2.063320 12.398920 3.784736 2.720961 4.779877 3.980530 4.849653 4.532170 5.659737 3.404797 12.639988 9.774551 0.000000 12.465478 11.277703 15.549901 17.778863 17.178605 16.469694 2.555111 5.196472 12.744512 7.898613 4.974581 7.399256 5.697528 13.247606 8.738054 11.415337 9.804088 9.143430 11.077012 10.503026 13.595501 15.551770 14.941222 3.410080 15.874482 7.039832 14.256101 4.650018 16.700560 2.131479 3.841893 1.081932 3.411966 2.170246 9.748782 8.528186 6.741262 16.910236 14.084067 5.734958 0.000000 11.707307 11.945293 15.668700 16.836683 16.565013 15.352201 5.195413 2.564515 12.732323 6.773199 5.630395 7.237636 5.038138 12.704337 8.598190 11.356997 9.293841 9.433620 10.658932 10.778539 13.336675 14.890454 14.744337 3.413486 15.473921 6.356213 13.514265 4.688214 15.862733 3.854424 2.133345 3.413339 1.081813 2.172605 8.899980 9.154782 6.980460 16.552979 13.114625 4.514767 4.328153 0.000000 13.130679 12.639208 16.719470 18.386097 17.929018 16.942000 4.481740 4.489764 13.814264 8.221750 6.082495 8.252223 6.159533 14.034998 9.654805 12.439694 10.553585 10.287401 11.906557 11.672842 14.546076 16.293817 15.940259 3.899028 16.769981 7.584666 14.938241 5.398401 17.343677 3.374606 3.367877 2.145816 2.145559 1.082992 10.303802 9.810291 7.768061 17.838443 14.625250 5.855989 2.503259 2.506511 0.000000 C20H9Cl3F5N3O3 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 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9603,-.853,2.9168;1.6535,-1.6406,-2.4353;5.7148,-2.6741,.2527;7.8316,2.295,.2901;7.3564,2.2612,-1.8276;6.2779,3.6046,-.4984;-7.1194,-1.4165,-1.7488;-6.4842,2.2759,1.1282;2.978,-1.598,.2281;-2.9873,.0559,2.4817;-4.6448,-.1761,-1.3203;-2.4784,-.4081,.278;-4.6577,.1383,.9465;3.5059,.6221,-.128;-1.099,-.6742,.3307;1.6441,-1.2403,.2521;-.3476,-.6365,1.51;-.4772,-.9901,-.8846;1.012,-.9185,1.4512;.8803,-1.267,-.9143;3.9002,-.6235,.0364;5.7868,1.2933,-.3449;5.2556,-1.0105,.0248;-6.7148,.4223,-.3207;6.2072,-.0303,-.1707;-3.2959,-.0712,1.3143;4.4278,1.5714,-.3171;-5.2475,.1054,-.2963;6.8053,2.3665,-.5917;-7.5918,-.34,-1.1031;-7.2852,1.5048,.3544;-8.9421,-.0511,-1.212;-8.6243,1.8403,.2645;-9.4524,1.0491,-.5277;-.8111,-.3905,2.4515;-1.0455,-1.0185,-1.8059;-2.9363,-.4583,-.6314;7.2583,-.2891,-.1814;4.0622,2.583,-.4449;-5.2144,.4155,1.7433;-9.5673,-.6877,-1.824;-8.9922,2.7024,.8046;-10.5049,1.2905,-.6099; 0.2230509 0.0313645 0.0307054 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= 826 RedAO= T EigKep= 1.30D-06 NBF= 826 NBsUse= 822 1.00D-06 EigRej= 8.65D-07 NBFU= 822 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= 770 770 770 770 770 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -3037.90875823380 -3037.90875823408 -0.000000000276 -3037.90875823 2 3.028876587174e+03 -1.485370959337e+04 4.945442498254e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323125985 LenY= 11322385525 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. 13480 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 11324620800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 610000000 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 60.35% of shell-pairs survive, threshold= 0.20 IRatSp=60. There are 132 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 129 vectors produced by pass 0 Test12= 9.27D-14 1.00D-09 XBig12= 4.40D+02 7.57D+00. AX will form 129 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 9.27D-14 1.00D-09 XBig12= 1.17D+02 2.57D+00. 129 vectors produced by pass 2 Test12= 9.27D-14 1.00D-09 XBig12= 1.08D+00 1.16D-01. 129 vectors produced by pass 3 Test12= 9.27D-14 1.00D-09 XBig12= 7.49D-03 7.36D-03. 129 vectors produced by pass 4 Test12= 9.27D-14 1.00D-09 XBig12= 3.59D-05 5.12D-04. 129 vectors produced by pass 5 Test12= 9.27D-14 1.00D-09 XBig12= 8.39D-08 1.82D-05. 95 vectors produced by pass 6 Test12= 9.27D-14 1.00D-09 XBig12= 1.56D-10 7.48D-07. 7 vectors produced by pass 7 Test12= 9.27D-14 1.00D-09 XBig12= 2.38D-13 3.05D-08. 4 vectors produced by pass 8 Test12= 9.27D-14 1.00D-09 XBig12= 4.30D-16 1.93D-09. InvSVY: IOpt=1 It= 1 EMax= 4.62D-14 Solved reduced A of dimension 880 with 132 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 323.04 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 459.284 -22.286 249.536 5.839 19.053 260.298 561.627 -38.873 413.900 7.527 45.340 447.785 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT57069.400S 2024-08-24T05:21:53.000 -101.57441 -101.57045 -101.56662 -24.73453 -24.72799 -24.72413 -24.72403 -24.72159 -19.20109 -19.14724 -19.12423 -14.39302 -14.37875 -14.34585 -10.44611 -10.34192 -10.33819 -10.31323 -10.31095 -10.31001 -10.26965 -10.26871 -10.26299 -10.26073 -10.25723 -10.24733 -10.24279 -10.23297 -10.23239 -10.22826 -10.22261 -10.22083 -10.20833 -10.20054 -9.48884 -9.48507 -9.48126 -7.25381 -7.24991 -7.24609 -7.24359 -7.24301 -7.23980 -7.23936 -7.23603 -7.23551 -1.33091 -1.27495 -1.26763 -1.24541 -1.23935 -1.13364 -1.10887 -1.08565 -0.98790 -0.98214 -0.96304 -0.92082 -0.91699 -0.90299 -0.89174 -0.85231 -0.84249 -0.82154 -0.79938 -0.79851 -0.77453 -0.75826 -0.73623 -0.71852 -0.69572 -0.67529 -0.67028 -0.66387 -0.65663 -0.64280 -0.61619 -0.61010 -0.60887 -0.60663 -0.59382 -0.59142 -0.58576 -0.57422 -0.56214 -0.55478 -0.54015 -0.53435 -0.52250 -0.51968 -0.51055 -0.50366 -0.49448 -0.49234 -0.48809 -0.48654 -0.48141 -0.47899 -0.47638 -0.47471 -0.47045 -0.46675 -0.46272 -0.45476 -0.44861 -0.44772 -0.44713 -0.44335 -0.43520 -0.43048 -0.42722 -0.42163 -0.41538 -0.41197 -0.40994 -0.40687 -0.39903 -0.38075 -0.37833 -0.37419 -0.36859 -0.34070 -0.33612 -0.32878 -0.32550 -0.32057 -0.31256 -0.31194 -0.30687 -0.30460 -0.30330 -0.29233 -0.27067 -0.26623 -0.24980 -0.08926 -0.06693 -0.05369 -0.05084 -0.04626 -0.04288 -0.01875 -0.01763 -0.01572 -0.01140 -0.00163 0.00231 0.01064 0.01259 0.01744 0.02139 0.02422 0.02875 0.03156 0.03448 0.03592 0.03909 0.04269 0.04468 0.04673 0.04911 0.05154 0.05700 0.06019 0.06323 0.06753 0.06871 0.07559 0.07699 0.07849 0.08410 0.08527 0.08691 0.08948 0.09190 0.09326 0.09408 0.09610 0.09689 0.10086 0.10466 0.10608 0.11092 0.11152 0.11491 0.11736 0.11982 0.12274 0.12547 0.12735 0.13033 0.13318 0.13587 0.13646 0.13722 0.13863 0.14183 0.14540 0.14984 0.15235 0.15408 0.15588 0.15781 0.15961 0.16158 0.16417 0.16611 0.16814 0.17106 0.17241 0.17472 0.17680 0.17844 0.18061 0.18296 0.18349 0.18531 0.18662 0.18875 0.19047 0.19482 0.19490 0.20012 0.20181 0.20279 0.20552 0.20783 0.21099 0.21238 0.21365 0.21502 0.21866 0.22062 0.22664 0.22729 0.23157 0.23272 0.23639 0.23800 0.24079 0.24223 0.24420 0.24604 0.24843 0.25212 0.25408 0.25665 0.25735 0.25879 0.26096 0.26614 0.26681 0.26940 0.27275 0.27613 0.27863 0.28091 0.28264 0.28603 0.28989 0.29036 0.29477 0.29656 0.29862 0.30171 0.30343 0.30672 0.31044 0.31509 0.31632 0.32073 0.32150 0.32405 0.32638 0.32902 0.33475 0.33742 0.34290 0.34364 0.34425 0.34589 0.34795 0.34907 0.35270 0.35571 0.35837 0.36013 0.36143 0.36350 0.36842 0.37194 0.37425 0.37771 0.38069 0.38240 0.38486 0.38911 0.39691 0.40581 0.40777 0.41371 0.41646 0.41820 0.42606 0.42669 0.43339 0.43497 0.43787 0.44513 0.45098 0.45906 0.46079 0.46657 0.47162 0.47491 0.47604 0.47669 0.48135 0.48469 0.49053 0.49197 0.49240 0.50173 0.50659 0.50935 0.50975 0.51337 0.51867 0.52324 0.53211 0.53935 0.54280 0.54733 0.54969 0.56254 0.56970 0.56983 0.57281 0.57744 0.58123 0.58367 0.58742 0.59490 0.59813 0.60192 0.60907 0.60992 0.61129 0.61666 0.62219 0.62513 0.62740 0.63566 0.64370 0.64692 0.64871 0.65449 0.66255 0.66379 0.66502 0.67525 0.67726 0.68153 0.68287 0.68620 0.68812 0.69245 0.69427 0.70083 0.70608 0.71273 0.71446 0.72158 0.72748 0.72893 0.73254 0.73439 0.73808 0.74591 0.75661 0.77183 0.77579 0.78834 0.79494 0.80338 0.80614 0.81796 0.81822 0.82417 0.83066 0.83582 0.83993 0.84423 0.84526 0.84736 0.85102 0.85435 0.85871 0.86801 0.86953 0.87088 0.87935 0.88228 0.88698 0.89453 0.89827 0.90461 0.90727 0.91074 0.91643 0.91850 0.92209 0.92472 0.93663 0.94731 0.95164 0.95699 0.96758 0.96910 0.97414 0.97711 0.98198 0.98407 0.98892 0.99424 0.99858 1.00549 1.01355 1.01476 1.01647 1.02272 1.02452 1.03258 1.04397 1.05115 1.05538 1.06087 1.06824 1.07145 1.07833 1.08342 1.08581 1.09665 1.10826 1.11328 1.12618 1.13503 1.14871 1.15433 1.16176 1.16499 1.17140 1.17383 1.17719 1.19736 1.20253 1.20685 1.21157 1.21508 1.22943 1.22981 1.24007 1.24246 1.25583 1.26315 1.27026 1.27780 1.28159 1.28712 1.29260 1.30699 1.31186 1.32092 1.32906 1.34635 1.36333 1.37045 1.37301 1.39612 1.39841 1.40082 1.41074 1.41189 1.41867 1.42022 1.42488 1.42636 1.43280 1.44357 1.45170 1.45475 1.46101 1.46920 1.47232 1.48111 1.49116 1.49772 1.49900 1.50566 1.51584 1.51670 1.52389 1.52857 1.52947 1.53824 1.54651 1.55011 1.55687 1.55978 1.56754 1.57315 1.58110 1.58776 1.60058 1.60249 1.61211 1.61638 1.62270 1.62689 1.64317 1.64934 1.65355 1.65713 1.67439 1.67533 1.68298 1.69494 1.70662 1.71112 1.72298 1.73714 1.75477 1.76034 1.76498 1.77295 1.78406 1.80523 1.80928 1.81301 1.82143 1.84128 1.85182 1.85686 1.85779 1.86090 1.87225 1.87610 1.88406 1.89511 1.89820 1.90076 1.91584 1.91908 1.92561 1.93060 1.93401 1.94213 1.94407 1.96062 1.96314 1.96721 1.96844 1.97481 1.99864 2.01237 2.01345 2.02053 2.04423 2.04826 2.05584 2.05876 2.07264 2.09674 2.10906 2.12076 2.12648 2.12820 2.13920 2.14242 2.18172 2.18798 2.19500 2.20217 2.20885 2.22720 2.24480 2.24859 2.27397 2.27973 2.28272 2.28546 2.29172 2.29355 2.30192 2.30748 2.33521 2.34047 2.34332 2.35317 2.36213 2.40815 2.41393 2.41779 2.43193 2.44218 2.46447 2.47786 2.49251 2.50336 2.51851 2.53868 2.54653 2.55828 2.56823 2.57891 2.59029 2.60238 2.61236 2.64043 2.65481 2.66151 2.67012 2.68381 2.68867 2.69175 2.70021 2.71329 2.72157 2.72442 2.72498 2.72777 2.73826 2.73970 2.75063 2.75743 2.75875 2.76006 2.76076 2.77986 2.79558 2.79938 2.80409 2.81938 2.82799 2.84072 2.85493 2.86145 2.88274 2.88641 2.88989 2.90260 2.90673 2.91791 2.92357 2.93332 2.93508 2.94145 2.96933 2.98338 3.02369 3.03583 3.04069 3.05245 3.07065 3.08886 3.09935 3.10450 3.10755 3.12069 3.13760 3.15252 3.16361 3.18957 3.19584 3.20232 3.21950 3.22653 3.25640 3.30339 3.31289 3.33605 3.33941 3.34534 3.34964 3.35823 3.36303 3.38367 3.40797 3.45196 3.46990 3.48871 3.49954 3.53394 3.56277 3.58923 3.59776 3.62077 3.65932 3.68997 3.69984 3.70360 3.72530 3.73660 3.73943 3.74468 3.75755 3.76138 3.76318 3.76675 3.76713 3.77330 3.79512 3.84161 3.84779 3.88529 3.89610 3.90241 3.90686 3.92529 3.93229 3.94038 3.95051 3.95602 3.96913 3.97009 3.99501 4.00050 4.01324 4.07808 4.09161 4.09722 4.10747 4.10830 4.11105 4.15865 4.19033 4.21467 4.26874 4.41522 4.49796 4.67222 4.70387 4.78794 4.82105 4.83647 4.85564 4.87055 4.89528 4.92275 4.93981 5.05576 5.06340 5.13365 5.17004 5.20205 5.26998 5.32923 5.44917 5.75016 5.84147 5.89115 6.29247 6.29540 6.32151 6.33280 6.35081 6.35920 6.37648 6.41983 6.45178 6.45767 6.46569 6.69914 6.70880 6.74751 6.76512 9.79146 9.80908 9.83317 23.48091 23.49188 23.50107 23.62733 23.82217 23.82385 23.84413 23.86307 23.87308 23.91226 23.91737 23.92853 23.99949 24.00594 24.02862 24.04120 24.04969 24.08273 24.12419 24.14151 25.85992 25.88597 25.93385 26.21315 26.25670 26.33816 26.65072 26.68761 26.77816 35.57015 35.63836 35.66964 49.96155 49.99735 50.02817 66.73535 66.75914 66.76785 66.78084 66.81503 215.78747 215.80705 215.83507 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 F F F F F O O O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H 0.361944 0.362639 0.450890 -0.082999 -0.065862 -0.139478 -0.133860 -0.154865 0.156356 -0.332772 -0.288655 -0.301540 -0.225400 0.233040 -0.331452 -1.652993 0.097137 -0.560912 0.440576 0.862371 -0.752799 -0.860275 -0.527845 2.227552 1.215707 0.505694 -0.554838 -0.363654 0.656554 -1.061664 -1.273784 0.340457 0.325800 -0.342654 0.196475 0.141486 0.338451 0.166688 0.150417 0.330934 0.147282 0.146829 0.153024 -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 30 31 32 33 34 Cl Cl Cl F F F F F O O O N N N C C C C C C C C C C C C C C C C C C C C 0.361944 0.362639 0.450890 -0.082999 -0.065862 -0.139478 -0.133860 -0.154865 0.156356 -0.332772 -0.288655 0.036911 0.105534 0.233040 -0.331452 -1.652993 0.293612 -0.419426 0.440576 0.862371 -0.752799 -0.860275 -0.527845 2.227552 1.382395 0.505694 -0.404420 -0.363654 0.656554 -1.061664 -1.273784 0.487738 0.472629 -0.189630 0.00000 -3.23846718e+00 3.53528856e-01 -2.78020230e-01 4.59283979e+02 -2.22861269e+01 2.49535651e+02 5.83887294e+00 1.90534660e+01 2.60297950e+02 -0.0013 -0.0009 -0.0003 0.2973 1.0647 2.7230 9.2366 9.9327 11.0723 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 9.2348 9.9320 11.0676 17.4325 23.6990 28.2432 41.3128 46.3996 73.4753 77.0134 82.2849 92.3707 112.4727 124.4547 141.7720 144.9407 149.0321 166.5907 200.4704 208.5785 219.5386 233.4357 241.4819 242.8807 265.3073 292.6148 300.1285 311.2797 331.0079 344.3436 372.3102 400.9493 415.7519 418.7799 421.3477 441.0930 454.3398 464.7646 492.9385 494.8937 517.7448 525.2555 527.9973 537.9176 568.1015 586.1297 590.3820 601.4543 608.8383 614.4478 616.4625 646.7141 653.6475 688.2828 699.9833 719.6550 733.5183 747.6309 755.9628 768.1814 772.4690 782.4085 805.0964 809.7250 813.9248 841.8043 866.4191 899.5808 903.1302 905.4468 920.9546 931.5646 956.1062 956.4058 988.7319 1012.3083 1033.6300 1077.4535 1080.0099 1092.3518 1103.4899 1106.6276 1141.9613 1143.6812 1183.8691 1221.4684 1233.8945 1241.0856 1248.9175 1266.9297 1271.1625 1291.7333 1299.5266 1300.4440 1323.0317 1329.9766 1333.1400 1336.6028 1426.0392 1428.1680 1479.0585 1486.7605 1492.5444 1504.6123 1514.7047 1577.8402 1602.7108 1615.2961 1630.0700 1632.0254 1640.6629 1658.9335 1734.8581 1784.9373 3189.2132 3191.9182 3192.1399 3204.0583 3208.9497 3213.7777 3251.2797 3427.3834 3614.1543 14.1788 13.6265 11.4981 14.6493 14.2034 11.0585 9.2409 10.5071 10.3670 10.5752 12.0964 11.4760 14.1495 10.9572 7.0612 21.1982 14.5530 11.4999 10.8485 4.9233 13.8693 11.4815 4.8447 10.6824 12.0576 12.5830 12.4097 13.0554 11.6650 10.7178 15.2948 11.9358 9.8839 8.3290 8.8190 12.5390 8.2216 5.2900 5.9304 6.2123 7.0153 5.2573 7.1144 8.2202 10.3048 7.1165 8.3571 5.2860 4.6400 1.9027 2.1650 5.4530 6.3100 4.0142 3.7325 7.5799 3.2117 2.6446 3.2449 7.4081 6.0206 1.8936 11.6367 7.0036 4.0522 8.1497 1.5187 1.4311 7.6592 1.4090 7.8651 1.4794 1.3949 6.8048 1.3039 6.5981 6.6803 6.3903 2.0801 3.8250 3.9365 5.0403 10.1957 2.8718 1.1617 2.8987 1.9576 2.1417 1.8404 2.0427 2.2106 5.7863 6.3810 7.6030 9.6206 2.8285 7.6985 4.4490 3.4955 3.6445 4.0289 3.4089 2.7540 3.6158 2.1194 3.9733 8.3088 6.5678 4.9219 3.0920 4.6262 7.9337 7.6524 7.0116 1.0889 1.0923 1.0923 1.0930 1.0925 1.0969 1.0923 1.0810 1.0781 0.0007 0.0008 0.0008 0.0026 0.0047 0.0052 0.0093 0.0133 0.0330 0.0370 0.0483 0.0577 0.1055 0.1000 0.0836 0.2624 0.1904 0.1880 0.2569 0.1262 0.3938 0.3686 0.1664 0.3713 0.5000 0.6348 0.6586 0.7453 0.7530 0.7488 1.2491 1.1305 1.0066 0.8606 0.9225 1.4374 0.9999 0.6732 0.8490 0.8965 1.1080 0.8546 1.1686 1.4014 1.9595 1.4405 1.7162 1.1266 1.0134 0.4232 0.4848 1.3437 1.5884 1.1204 1.0775 2.3129 1.0181 0.8709 1.0926 2.5756 2.1167 0.6830 4.4440 2.7055 1.5816 3.4026 0.6717 0.6823 3.6807 0.6806 3.9304 0.7564 0.7513 3.6673 0.7510 3.9838 4.2051 4.3708 1.4296 2.6891 2.8242 3.6367 7.8337 2.2132 0.9593 2.5481 1.7560 1.9436 1.6914 1.9318 2.1046 5.6885 6.3491 7.5756 9.9218 2.9478 8.0614 4.6829 4.1881 4.3797 5.1929 4.4397 3.6147 4.8228 2.8650 5.8281 12.5747 10.0966 7.7054 4.8522 7.3368 12.8643 13.5698 13.1618 6.5252 6.5568 6.5575 6.6108 6.6283 6.6750 6.8031 7.4819 8.2973 0.1048 0.1589 0.1804 0.0757 0.3002 0.3231 0.7677 0.1727 1.0385 0.4617 1.3147 0.5757 2.0346 6.5738 0.6756 3.3932 0.8738 1.5036 0.5190 0.0079 2.5049 0.4233 0.0392 1.4427 1.1403 0.3144 13.7321 1.9281 0.3355 9.3218 5.0901 8.7885 6.2914 3.2108 0.3400 2.4499 3.7278 0.6392 24.4318 9.5508 2.1590 0.3604 1.1923 23.9401 2.7652 4.9328 4.9518 5.9960 31.7208 67.1427 14.7511 1.5431 4.4767 2.6109 2.4277 21.5316 10.9112 54.5182 1.8571 10.0180 4.5618 21.1260 33.2598 38.1904 82.5281 17.8266 27.6541 0.9262 47.1400 15.4245 14.1776 24.0021 6.8261 1.3861 0.4003 39.3321 89.8010 216.9614 2.0252 106.0566 146.9594 189.7521 156.0717 69.4698 0.4306 412.5923 312.8374 60.9944 77.2028 84.1783 140.1300 52.7912 90.4174 497.2930 280.4508 230.2286 3.2694 32.5737 117.0763 77.7257 427.4087 15.9298 91.4359 215.9495 353.4597 365.9694 8.6394 91.3089 242.8079 653.5600 23.0249 83.4080 177.7313 456.6059 2.7585 1.6023 3.1021 0.7891 0.1468 0.0185 20.0811 393.6373 65.0455 0.03 0.08 -0.10 -0.05 0.00 -0.08 -0.04 -0.04 -0.06 -0.10 0.08 0.37 0.37 -0.19 0.27 0.06 -0.04 -0.14 -0.03 -0.13 0.16 -0.05 0.04 -0.07 -0.02 0.02 -0.10 0.04 0.16 -0.05 -0.05 -0.03 0.01 -0.01 0.08 -0.04 0.00 0.08 -0.01 0.03 0.01 -0.05 -0.01 0.08 -0.06 -0.01 0.04 -0.09 0.01 0.09 -0.07 -0.03 0.05 -0.06 0.01 0.07 -0.08 -0.03 0.04 -0.08 0.00 0.00 -0.06 0.05 -0.02 0.04 -0.00 -0.02 -0.03 -0.04 -0.04 0.04 0.02 -0.04 0.02 0.02 0.11 -0.03 0.06 0.00 0.00 -0.03 0.00 0.01 0.09 -0.04 0.13 -0.04 -0.11 0.11 -0.05 -0.02 0.00 -0.06 -0.16 0.14 -0.06 -0.07 0.03 -0.07 -0.13 0.10 0.03 0.11 -0.07 -0.04 0.04 -0.05 -0.03 0.04 -0.03 0.02 -0.06 0.04 0.08 0.01 0.01 0.02 0.10 -0.00 -0.06 -0.21 0.20 -0.07 -0.05 -0.01 -0.08 -0.17 0.12 -0.00 0.08 -0.03 -0.02 0.04 -0.03 -0.05 -0.05 -0.03 0.26 -0.30 -0.17 -0.17 0.15 -0.08 0.19 -0.04 0.40 0.01 -0.14 0.11 -0.08 0.03 -0.09 -0.02 0.03 -0.03 0.02 0.17 -0.04 -0.03 -0.01 -0.00 -0.00 0.10 -0.03 -0.00 0.09 -0.02 0.05 0.02 0.02 -0.00 0.10 -0.03 -0.01 0.06 -0.03 0.00 0.10 -0.03 -0.01 0.08 -0.03 -0.00 0.08 -0.03 -0.01 0.07 -0.03 0.01 0.01 -0.00 0.07 -0.04 0.06 -0.00 -0.03 -0.00 -0.04 -0.05 0.01 0.03 -0.06 0.03 0.00 0.12 -0.03 0.07 -0.00 0.05 -0.02 0.01 -0.01 0.09 -0.06 0.06 -0.02 -0.12 0.06 -0.07 -0.04 -0.04 -0.04 -0.18 0.08 -0.08 -0.10 -0.02 -0.07 -0.17 0.03 0.01 0.12 -0.03 -0.01 0.08 -0.03 -0.01 0.07 -0.02 0.02 -0.08 0.04 0.11 0.01 0.08 -0.00 0.10 -0.02 -0.02 -0.24 0.12 -0.11 -0.08 -0.06 -0.08 -0.22 0.04 -0.05 -0.01 0.07 0.03 0.17 0.04 -0.05 -0.03 0.04 0.07 -0.05 -0.07 0.12 -0.18 -0.08 0.12 -0.07 -0.20 0.11 0.09 -0.20 -0.17 -0.16 0.18 -0.02 0.05 0.07 -0.06 -0.07 0.04 0.02 0.16 -0.01 -0.00 0.11 0.01 -0.03 -0.01 0.01 0.04 0.03 0.01 -0.01 0.11 0.02 -0.01 0.08 0.05 -0.02 0.06 0.04 0.01 0.15 0.02 -0.03 0.05 0.05 0.01 0.13 0.04 0.01 0.02 0.03 0.06 -0.05 -0.06 -0.00 -0.02 0.01 -0.03 -0.03 -0.01 0.02 -0.05 -0.03 -0.03 0.01 0.02 0.07 -0.00 -0.03 -0.01 0.05 -0.00 0.09 -0.09 -0.10 0.03 -0.00 -0.11 -0.11 -0.13 0.08 0.02 -0.07 -0.11 -0.13 -0.20 0.08 -0.06 -0.17 -0.01 -0.04 0.03 0.04 0.03 0.18 0.01 0.02 0.16 -0.00 0.01 -0.09 -0.05 0.10 0.01 -0.05 -0.06 -0.09 0.02 0.07 -0.05 -0.19 -0.19 -0.27 0.16 -0.07 -0.22 -0.01 -0.08 -0.27 0.13 0.08 0.29 0.04 -0.01 -0.02 -0.13 -0.02 0.04 -0.05 0.00 -0.07 -0.05 -0.02 -0.01 -0.13 -0.02 -0.18 0.21 0.06 0.16 -0.26 0.00 0.01 0.09 -0.02 0.07 0.02 0.01 -0.08 0.01 -0.00 0.00 0.04 -0.00 0.04 -0.00 -0.00 0.02 0.12 -0.00 0.01 0.05 -0.00 0.01 0.08 -0.04 -0.12 0.08 0.04 0.13 0.04 -0.04 -0.11 0.09 0.04 0.13 0.05 -0.00 0.01 0.06 -0.01 -0.00 -0.03 -0.01 -0.01 -0.05 0.01 -0.01 -0.03 -0.01 -0.01 -0.09 -0.01 0.04 0.02 -0.01 0.01 0.08 0.01 -0.02 -0.00 -0.01 -0.01 -0.07 -0.01 -0.10 0.08 0.04 0.08 -0.15 -0.01 -0.09 0.06 0.04 0.08 -0.17 0.02 -0.00 -0.07 -0.07 -0.21 0.09 0.07 0.23 0.02 0.01 -0.01 0.03 -0.02 -0.02 -0.18 -0.00 0.02 0.13 -0.01 0.07 -0.02 -0.02 -0.16 0.15 0.06 0.15 -0.28 0.02 0.00 -0.08 -0.02 -0.14 -0.07 0.02 0.16 -0.12 0.02 0.06 0.43 0.04 -0.02 -0.05 -0.00 -0.01 -0.04 0.03 -0.01 -0.02 -0.10 -0.02 0.09 0.07 0.03 -0.03 0.00 0.00 -0.08 0.01 -0.09 -0.05 -0.05 0.00 -0.04 -0.01 -0.02 -0.07 -0.00 -0.05 -0.03 0.01 -0.02 -0.21 -0.00 -0.01 -0.09 0.00 0.00 -0.10 -0.01 -0.07 -0.08 0.01 0.06 -0.10 -0.01 -0.06 -0.09 0.01 0.07 -0.11 0.01 0.00 -0.05 0.02 -0.00 -0.01 0.02 0.03 0.17 -0.02 0.00 0.03 0.02 0.02 0.18 0.00 -0.06 -0.05 0.01 -0.02 -0.19 -0.03 -0.01 -0.02 0.03 -0.01 -0.03 -0.06 -0.01 0.08 0.02 0.02 0.03 -0.07 0.01 0.14 0.02 0.04 0.08 -0.02 0.03 0.14 -0.02 -0.13 -0.07 0.02 0.11 -0.11 -0.01 0.00 -0.07 0.03 0.04 0.35 0.01 -0.04 -0.33 0.01 -0.07 -0.01 -0.10 -0.00 0.18 0.05 0.05 0.08 -0.03 0.04 0.18 -0.02 0.18 0.00 0.00 0.08 0.01 -0.06 0.01 -0.06 0.13 -0.07 -0.00 0.12 -0.05 -0.00 0.18 -0.01 0.00 -0.19 -0.05 0.03 0.11 -0.06 -0.03 -0.01 0.11 0.02 -0.10 -0.26 0.04 -0.07 -0.18 0.01 -0.06 -0.14 0.02 -0.08 -0.24 0.02 0.06 0.10 0.03 -0.04 -0.05 0.01 -0.01 0.11 0.01 -0.03 0.02 0.01 -0.03 -0.02 0.01 -0.02 0.10 0.01 -0.01 0.06 0.01 0.02 0.08 0.01 0.08 0.01 -0.00 0.00 0.03 -0.02 -0.04 -0.06 0.00 0.04 -0.01 -0.02 -0.08 -0.22 0.03 0.09 0.06 0.03 -0.07 -0.17 0.01 0.13 -0.03 -0.00 -0.10 0.00 0.01 0.05 0.00 -0.02 -0.08 0.13 -0.02 0.08 0.13 -0.05 0.02 0.19 -0.05 -0.04 0.01 0.01 -0.03 -0.06 0.02 -0.05 -0.14 0.02 0.03 -0.05 -0.05 0.13 0.08 0.04 -0.09 -0.25 0.02 -0.13 0.17 -0.01 0.16 0.17 -0.07 0.04 0.29 -0.06 0.07 -0.06 -0.03 -0.09 0.09 -0.05 -0.02 0.01 0.05 0.00 -0.02 0.01 0.02 0.01 0.01 0.02 -0.00 0.02 0.01 -0.01 -0.05 -0.06 -0.12 0.13 -0.01 0.00 -0.07 0.08 0.32 0.05 -0.03 -0.30 0.15 -0.02 -0.06 0.11 0.01 0.04 0.10 -0.00 0.00 -0.09 -0.01 -0.02 0.07 -0.01 0.01 -0.03 0.02 -0.03 0.04 -0.05 0.02 0.04 0.02 -0.02 -0.00 -0.04 0.03 -0.01 -0.01 0.00 -0.06 0.00 -0.00 -0.02 -0.01 0.00 -0.01 -0.00 -0.07 0.05 -0.00 0.00 0.01 0.03 0.11 0.09 0.00 -0.00 -0.07 -0.02 -0.13 0.12 0.01 -0.00 0.01 0.03 0.00 -0.07 -0.02 -0.06 0.02 0.06 0.10 -0.21 0.02 0.03 -0.12 0.05 0.11 -0.23 0.05 -0.05 0.06 -0.07 0.04 0.06 -0.06 -0.19 0.13 -0.00 0.00 0.06 0.01 -0.00 -0.10 0.04 0.19 0.07 0.09 0.15 -0.29 0.01 0.04 -0.13 0.08 0.18 -0.35 -0.10 -0.01 0.05 0.15 -0.01 0.04 0.04 -0.00 -0.03 0.03 0.03 -0.03 -0.01 -0.03 -0.02 0.01 0.01 -0.04 -0.19 0.08 -0.12 0.05 -0.10 0.09 0.03 0.00 0.09 0.08 0.31 -0.19 -0.12 -0.23 -0.07 0.00 -0.06 -0.12 0.02 0.04 -0.11 0.02 0.01 0.13 0.01 -0.03 -0.09 0.03 -0.01 0.03 -0.03 -0.02 -0.06 0.07 -0.03 -0.06 -0.03 -0.01 0.00 0.07 -0.02 0.00 0.03 0.01 0.08 0.02 0.01 0.03 0.03 0.00 0.02 -0.05 -0.02 -0.01 0.02 0.00 -0.00 0.03 0.11 -0.15 0.02 0.01 0.10 -0.05 -0.08 -0.07 0.01 0.00 -0.01 -0.11 0.05 -0.01 0.00 -0.05 0.08 -0.12 0.08 0.09 0.00 -0.03 0.19 -0.06 0.04 0.19 -0.07 -0.02 -0.08 0.11 -0.04 -0.09 -0.01 -0.19 -0.11 0.02 0.00 -0.06 0.02 0.01 0.14 0.08 0.17 -0.11 -0.16 0.13 0.08 0.05 -0.06 0.27 -0.06 0.06 0.27 0.04 0.14 -0.03 0.07 0.12 -0.02 0.05 -0.10 0.01 -0.11 0.04 -0.00 -0.15 -0.02 0.00 -0.21 -0.07 -0.00 -0.06 -0.07 0.04 0.07 -0.10 0.06 -0.01 -0.13 0.02 0.02 -0.09 -0.00 -0.01 -0.06 0.01 0.08 0.26 -0.06 0.01 -0.09 0.01 -0.04 -0.14 0.06 0.07 0.23 -0.06 0.01 -0.03 -0.00 0.06 0.21 -0.05 0.07 0.20 -0.05 0.03 0.09 -0.02 0.04 0.08 -0.03 -0.00 -0.14 0.04 -0.07 -0.09 0.04 0.00 -0.11 0.03 0.00 -0.08 0.04 -0.03 -0.07 0.03 0.04 0.02 -0.02 -0.07 -0.12 0.06 0.00 -0.09 0.02 -0.13 -0.04 0.01 -0.02 -0.04 0.02 0.05 -0.05 0.02 0.01 0.05 -0.04 0.07 0.04 -0.03 0.05 0.09 -0.06 0.07 0.27 -0.06 0.08 0.26 -0.06 0.07 0.24 -0.06 -0.02 -0.04 0.01 -0.10 -0.13 0.08 0.00 -0.17 0.03 -0.01 0.09 -0.06 0.11 0.06 -0.04 0.07 0.16 -0.11 0.04 -0.04 -0.10 -0.07 -0.05 -0.10 -0.00 0.02 0.02 0.12 0.13 -0.12 -0.14 -0.22 -0.06 0.05 0.03 -0.15 0.03 -0.03 0.07 -0.05 0.00 0.04 -0.00 0.01 -0.11 0.03 -0.03 -0.00 -0.01 0.04 0.02 -0.01 -0.00 -0.02 0.01 0.02 0.03 0.02 0.08 0.34 -0.01 -0.02 -0.04 -0.01 -0.01 -0.09 0.01 -0.01 -0.06 -0.03 -0.03 -0.05 0.01 -0.01 -0.08 -0.03 -0.03 -0.08 0.01 0.05 0.14 0.02 0.06 0.24 0.01 0.04 0.13 -0.01 0.00 0.04 0.01 0.04 0.15 0.01 -0.01 0.00 0.03 0.08 0.39 -0.01 0.02 0.04 0.01 0.00 -0.01 0.01 -0.01 0.02 -0.03 0.01 0.01 0.02 0.00 -0.04 -0.02 0.02 -0.05 0.01 0.02 -0.08 0.03 -0.01 -0.05 -0.05 -0.05 -0.04 -0.02 0.02 -0.01 0.01 0.02 0.07 0.04 0.10 0.52 0.02 0.01 0.04 0.04 0.00 -0.05 -0.03 0.03 -0.07 0.01 0.04 -0.13 0.09 0.23 -0.06 -0.03 0.25 -0.06 -0.05 -0.05 0.01 -0.04 -0.00 -0.01 -0.09 -0.07 0.00 -0.08 -0.04 -0.01 0.10 0.10 -0.16 0.11 0.08 -0.13 -0.03 -0.05 -0.03 -0.01 0.12 0.02 0.10 -0.05 -0.01 -0.05 -0.28 0.09 0.01 0.01 -0.02 -0.04 -0.04 0.06 -0.04 -0.19 0.07 -0.03 -0.04 -0.01 -0.01 -0.12 0.05 -0.05 -0.11 0.05 0.01 -0.02 0.01 -0.04 -0.02 0.00 -0.03 -0.04 0.02 -0.05 -0.04 0.05 -0.03 -0.05 0.03 0.09 0.06 -0.09 -0.04 -0.04 0.04 -0.01 -0.04 0.04 -0.05 -0.04 0.07 0.07 0.02 -0.05 -0.06 -0.04 0.01 0.08 0.03 -0.05 0.08 0.02 -0.04 0.04 -0.07 0.09 0.04 -0.08 0.10 0.02 -0.14 0.18 0.00 -0.11 0.06 -0.07 -0.09 0.06 -0.05 -0.30 0.09 -0.04 -0.04 0.03 -0.05 -0.04 0.09 0.00 0.11 -0.06 0.04 -0.10 0.13 0.03 -0.11 0.15 -0.01 -0.23 0.31 -0.05 0.16 -0.01 0.18 0.11 -0.01 0.08 -0.03 -0.01 -0.02 -0.00 0.01 0.01 0.03 0.00 -0.03 -0.02 0.02 0.04 -0.06 0.23 -0.23 0.03 0.17 0.04 -0.04 0.05 0.09 -0.02 -0.08 -0.10 0.18 0.02 -0.04 -0.23 -0.06 0.03 0.09 0.02 0.02 -0.05 -0.02 -0.02 -0.20 -0.07 0.03 -0.06 0.00 -0.04 -0.15 -0.06 0.03 -0.16 -0.06 -0.02 -0.06 -0.02 0.06 -0.07 -0.02 0.03 -0.05 0.01 0.01 -0.03 -0.03 0.04 -0.03 -0.01 -0.07 0.05 0.11 0.03 -0.02 -0.02 0.03 -0.05 -0.06 0.01 -0.05 -0.03 -0.05 0.12 0.06 -0.01 -0.01 -0.00 -0.01 0.01 0.09 -0.14 0.05 0.05 0.01 0.02 -0.09 -0.13 0.07 -0.12 -0.05 0.07 -0.20 -0.06 -0.15 -0.07 0.07 -0.16 -0.08 -0.04 -0.16 -0.06 0.03 -0.01 -0.02 -0.01 -0.05 -0.05 0.09 0.10 0.06 0.06 -0.00 -0.12 -0.18 0.08 -0.17 -0.03 0.09 -0.34 0.17 -0.01 -0.02 -0.09 0.04 -0.00 0.31 -0.02 -0.01 0.05 0.08 -0.02 0.02 0.04 -0.01 -0.03 -0.01 -0.00 -0.17 0.10 -0.13 -0.18 0.13 -0.12 0.07 -0.08 -0.02 -0.15 -0.15 0.06 -0.13 -0.17 0.03 -0.00 0.05 0.07 -0.06 0.16 -0.03 0.11 -0.10 0.02 0.01 0.01 0.11 0.06 -0.03 0.02 0.07 -0.00 0.08 0.01 0.01 0.10 0.08 -0.02 0.03 0.01 0.00 0.05 0.11 -0.10 0.00 0.08 -0.03 0.02 0.14 -0.06 0.01 -0.13 0.05 -0.05 0.10 -0.02 0.01 -0.08 -0.01 0.03 0.07 -0.07 0.02 -0.11 0.01 -0.02 0.04 0.02 -0.00 -0.15 0.06 -0.05 -0.17 0.05 -0.07 -0.17 0.01 0.00 -0.18 0.00 -0.01 -0.20 -0.03 0.03 0.11 -0.00 0.11 -0.01 0.03 0.11 0.05 0.04 0.05 0.11 0.01 0.01 0.04 -0.08 0.03 -0.05 0.21 -0.04 -0.15 -0.01 0.01 -0.18 -0.00 -0.01 -0.21 -0.08 0.08 0.06 -0.02 0.01 -0.10 0.01 0.00 0.13 -0.00 -0.00 0.02 0.03 -0.01 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.12 -0.08 0.03 0.06 -0.12 -0.01 0.01 -0.02 -0.01 -0.04 0.35 -0.04 0.05 0.45 -0.13 -0.04 -0.11 0.06 -0.12 -0.37 -0.01 0.04 -0.04 0.00 -0.01 -0.00 0.07 0.01 0.00 0.02 0.02 0.01 0.06 -0.02 0.01 0.07 0.02 0.01 0.03 -0.02 0.01 0.04 0.04 -0.04 0.00 0.03 -0.01 0.00 0.05 -0.02 0.00 -0.05 -0.07 -0.02 0.03 -0.01 0.00 -0.06 0.02 -0.00 0.03 -0.03 0.01 -0.03 0.01 -0.06 0.01 0.00 -0.00 -0.08 -0.04 -0.00 0.00 -0.05 -0.01 -0.07 0.03 -0.01 0.02 0.02 -0.02 -0.01 0.07 -0.02 0.04 0.02 0.07 -0.03 -0.00 0.08 0.00 -0.12 0.04 0.04 0.00 0.00 0.01 -0.03 0.01 -0.18 -0.49 -0.00 -0.11 0.05 0.00 0.06 0.04 -0.02 0.00 0.13 -0.04 -0.01 -0.00 0.03 0.03 -0.00 0.03 -0.03 -0.04 -0.16 0.10 0.14 -0.04 -0.13 -0.13 0.02 0.00 0.02 -0.02 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 0.00 -0.03 -0.27 0.00 -0.00 0.01 0.01 0.01 0.02 -0.00 -0.00 0.01 0.01 0.01 0.01 0.00 0.01 0.02 0.01 0.01 0.02 0.01 -0.00 -0.05 0.03 0.02 0.21 0.01 0.02 0.13 -0.00 0.00 0.00 0.04 0.05 0.38 -0.00 -0.00 0.00 0.01 -0.03 -0.20 -0.00 0.00 0.00 0.01 0.01 0.07 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 0.00 -0.01 0.01 0.04 0.07 0.58 0.01 -0.07 -0.48 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.35 0.09 0.09 -0.17 0.03 -0.09 0.47 0.14 -0.07 -0.03 -0.23 0.03 -0.02 -0.19 0.03 0.20 0.03 -0.01 0.14 0.01 0.00 0.09 0.01 0.01 -0.05 -0.06 0.01 0.03 -0.00 0.03 0.04 -0.08 0.07 -0.07 0.04 -0.02 -0.00 -0.02 0.07 -0.06 -0.08 -0.04 -0.09 0.03 -0.08 -0.06 -0.03 -0.02 -0.10 0.03 -0.09 -0.07 0.03 -0.06 -0.12 0.01 -0.05 -0.07 0.00 -0.03 -0.03 -0.07 -0.00 -0.12 0.07 0.03 0.02 0.03 0.01 0.07 0.00 0.02 -0.08 0.11 0.05 -0.01 0.00 0.03 -0.14 -0.00 -0.03 0.04 -0.03 0.06 -0.02 -0.05 0.02 0.10 -0.01 0.01 0.08 0.00 0.02 0.10 -0.02 0.01 0.08 -0.02 0.02 0.09 -0.03 0.02 -0.11 0.04 -0.09 -0.05 0.04 -0.07 -0.13 0.03 0.01 -0.06 0.18 0.07 -0.21 -0.03 -0.07 -0.01 0.00 0.06 0.10 -0.02 0.00 0.06 -0.02 0.02 0.09 -0.05 0.03 0.26 -0.01 -0.07 0.13 0.04 0.07 0.01 0.16 -0.04 -0.11 -0.32 0.05 -0.07 -0.24 0.04 0.24 0.06 -0.01 -0.12 -0.05 0.01 -0.02 -0.06 0.02 0.00 -0.04 0.01 -0.04 -0.03 -0.02 -0.01 0.05 -0.08 0.08 0.10 -0.01 0.03 0.08 -0.08 -0.19 0.03 -0.03 0.06 -0.01 0.06 -0.00 -0.12 0.05 0.06 -0.04 0.08 0.04 -0.04 0.05 0.06 -0.09 0.06 0.02 -0.09 0.04 -0.10 0.05 -0.01 -0.23 0.12 0.02 -0.10 0.11 -0.00 -0.03 -0.02 -0.03 -0.16 0.15 0.02 0.01 0.05 -0.04 -0.23 0.08 -0.03 -0.01 0.03 -0.07 -0.07 -0.06 0.02 -0.07 -0.01 -0.01 -0.02 -0.03 -0.01 -0.06 0.03 -0.01 -0.02 0.01 -0.01 -0.04 0.04 -0.02 0.07 0.00 0.07 0.03 0.01 0.05 0.13 0.12 -0.03 -0.15 0.22 0.04 -0.27 0.07 -0.06 0.01 0.03 -0.07 -0.07 0.03 0.00 0.01 0.01 0.01 -0.03 0.07 -0.02 -0.02 0.05 0.07 -0.20 0.07 -0.05 -0.01 -0.02 -0.00 0.04 0.07 -0.01 0.03 0.04 -0.01 -0.02 -0.00 -0.00 -0.09 -0.17 0.14 0.08 -0.22 0.18 0.01 0.00 0.02 -0.13 -0.10 -0.03 0.06 0.00 -0.19 0.03 0.09 -0.03 0.09 0.36 -0.22 0.03 0.00 -0.01 -0.02 -0.07 0.07 -0.01 -0.04 0.04 -0.02 -0.11 0.08 -0.03 -0.10 0.09 -0.01 -0.07 0.06 -0.04 -0.07 0.06 0.02 0.00 0.01 0.05 -0.01 0.00 0.02 -0.01 0.01 0.06 0.00 -0.12 0.03 -0.02 0.02 -0.01 0.10 -0.08 0.05 -0.01 -0.01 0.08 0.10 -0.20 0.03 0.02 -0.00 0.00 -0.03 -0.01 0.08 -0.06 0.01 0.02 0.03 0.00 0.10 -0.00 0.03 0.08 0.07 -0.01 -0.02 -0.10 0.08 -0.04 -0.08 0.09 0.11 0.17 -0.07 0.03 -0.03 0.02 0.05 -0.01 -0.03 0.05 0.34 -0.25 -0.03 0.03 0.05 0.13 -0.04 0.11 0.09 0.12 -0.01 -0.09 0.08 0.04 0.00 0.07 -0.06 -0.07 0.00 0.00 0.05 0.05 -0.01 0.04 0.04 -0.01 0.04 0.03 -0.01 -0.14 0.02 -0.20 0.07 -0.01 -0.19 0.05 -0.05 -0.02 0.13 -0.02 0.07 0.02 0.16 0.13 0.08 0.31 -0.01 0.04 0.04 0.14 0.01 0.01 -0.00 0.01 -0.07 -0.01 0.01 -0.20 0.01 0.01 -0.16 -0.01 -0.02 -0.23 0.02 -0.01 -0.20 0.01 -0.01 -0.23 0.01 0.01 0.01 -0.01 0.03 0.02 -0.00 0.01 0.02 -0.01 -0.07 -0.19 0.13 0.02 0.01 -0.00 0.09 0.12 0.07 0.02 0.01 0.00 -0.02 -0.02 0.16 0.04 0.03 -0.01 -0.08 -0.08 0.01 -0.03 -0.10 0.01 -0.07 0.01 -0.01 0.00 -0.00 -0.03 -0.03 0.02 -0.01 0.04 -0.04 -0.03 -0.01 -0.18 0.01 0.05 0.38 0.00 0.02 -0.00 0.00 0.02 0.01 0.01 0.04 -0.09 0.19 -0.07 0.09 -0.09 0.07 0.07 -0.11 -0.01 0.09 -0.06 -0.01 -0.09 0.02 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 0.02 0.00 0.02 -0.01 0.01 0.02 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.02 -0.01 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 0.07 0.34 -0.05 -0.07 -0.33 0.05 0.03 0.16 -0.02 -0.03 -0.16 0.03 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.02 -0.01 -0.00 0.00 0.00 -0.01 -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 -0.00 0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.11 0.56 -0.09 -0.11 -0.57 0.09 -0.00 -0.02 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.02 -0.01 -0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.02 -0.04 -0.19 0.26 -0.03 0.16 0.13 -0.00 0.02 0.06 0.07 -0.02 0.01 0.00 0.00 -0.05 -0.04 0.01 -0.07 -0.09 -0.04 0.13 -0.14 -0.02 -0.13 0.05 -0.12 -0.20 0.03 0.19 0.10 0.09 0.07 -0.14 0.03 0.14 -0.05 0.26 0.05 0.03 0.01 -0.02 -0.15 -0.03 -0.02 -0.13 0.11 -0.08 -0.12 -0.01 -0.05 -0.17 -0.05 -0.06 -0.12 0.05 -0.09 -0.13 0.03 -0.06 -0.04 -0.02 -0.07 0.05 -0.04 0.02 -0.03 -0.05 -0.05 0.01 -0.06 -0.04 -0.01 -0.05 -0.03 -0.11 0.10 0.16 0.05 -0.01 0.04 0.02 0.08 0.03 0.03 -0.01 0.01 -0.00 -0.06 -0.03 0.06 -0.07 -0.01 0.00 0.01 -0.01 0.08 -0.01 0.03 0.05 0.02 0.02 -0.11 -0.03 -0.03 -0.19 -0.10 -0.05 -0.20 0.13 0.15 -0.02 -0.09 -0.03 0.08 0.01 0.10 -0.11 0.23 0.02 -0.04 0.04 0.00 0.11 -0.02 0.05 0.06 0.05 0.03 0.03 0.04 -0.10 0.05 0.04 0.05 0.01 0.00 -0.01 0.08 0.07 -0.03 0.08 0.08 -0.01 0.04 0.03 -0.01 0.21 0.05 0.15 -0.03 0.07 0.10 -0.02 -0.04 0.01 -0.19 0.10 -0.02 -0.06 -0.17 -0.06 -0.00 0.36 -0.06 -0.15 -0.31 -0.04 0.01 -0.00 0.01 -0.06 0.02 -0.01 -0.07 -0.19 0.02 -0.09 -0.16 0.02 -0.07 -0.09 0.01 -0.10 -0.22 0.02 -0.08 -0.18 0.03 -0.03 -0.01 0.02 0.05 0.01 -0.01 -0.02 0.00 0.02 0.03 0.15 -0.06 0.00 -0.00 0.02 -0.11 0.05 -0.03 0.03 -0.01 -0.00 -0.05 -0.10 -0.07 0.06 0.04 -0.02 0.07 0.08 -0.01 0.03 0.10 0.01 0.06 -0.00 -0.01 -0.00 -0.00 0.03 0.03 -0.04 0.03 -0.07 -0.08 0.01 -0.04 0.01 -0.01 -0.02 0.22 -0.04 -0.00 -0.04 0.03 0.03 -0.01 -0.02 -0.19 -0.30 -0.07 0.07 -0.05 0.03 -0.07 -0.06 0.09 0.01 -0.10 0.07 -0.01 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.03 0.09 -0.13 -0.04 -0.09 0.15 0.00 -0.00 -0.02 -0.01 0.00 0.00 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.01 -0.00 -0.00 -0.02 0.01 0.01 -0.01 0.00 -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.01 -0.04 0.06 0.02 0.06 -0.07 -0.06 -0.20 0.27 0.07 0.20 -0.27 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.03 -0.01 -0.00 -0.01 -0.11 -0.35 0.48 0.11 0.33 -0.45 -0.00 -0.01 0.01 0.07 -0.04 -0.14 -0.04 0.00 -0.02 0.03 -0.02 -0.10 -0.10 -0.15 -0.01 0.17 0.21 -0.07 -0.05 -0.04 -0.05 0.02 0.02 -0.06 0.05 -0.03 -0.02 -0.04 0.05 0.23 0.04 -0.02 -0.03 -0.02 0.03 0.03 -0.04 -0.01 -0.04 0.01 0.06 0.03 0.01 0.03 0.19 -0.05 -0.01 -0.03 -0.05 0.04 0.01 -0.08 0.00 -0.01 -0.02 -0.01 -0.02 -0.08 0.02 -0.02 -0.01 0.01 -0.01 -0.01 0.04 0.33 -0.00 -0.03 -0.13 -0.00 0.04 0.37 -0.02 -0.05 0.05 -0.00 0.02 0.27 0.00 0.01 -0.02 -0.01 -0.03 -0.15 -0.02 0.01 0.04 0.00 -0.02 -0.12 0.00 -0.04 0.03 0.01 -0.02 0.01 0.00 -0.03 0.04 0.03 0.03 -0.04 0.03 0.01 -0.01 -0.09 -0.01 -0.01 -0.01 -0.02 -0.03 -0.05 0.02 -0.04 -0.01 0.02 0.32 -0.02 -0.07 -0.41 0.02 0.05 0.04 -0.01 -0.02 0.03 0.05 0.07 -0.09 0.03 0.03 -0.04 -0.12 0.04 0.06 0.10 -0.04 -0.14 -0.07 -0.03 -0.03 -0.08 -0.10 0.00 0.07 0.11 -0.04 0.06 0.07 -0.06 -0.18 -0.08 0.06 -0.13 -0.02 0.08 0.08 -0.10 -0.10 -0.17 0.08 0.22 0.23 -0.04 0.04 0.04 -0.03 0.21 -0.03 -0.05 0.03 -0.00 -0.04 0.09 0.08 0.03 0.01 0.08 -0.11 -0.08 0.13 0.03 -0.06 0.06 0.05 -0.04 0.10 -0.04 -0.08 0.07 -0.04 -0.10 0.05 -0.02 0.07 -0.03 0.03 -0.05 0.05 0.03 0.14 0.07 0.14 -0.22 0.02 0.06 0.13 -0.02 -0.00 0.19 -0.04 -0.02 -0.01 0.10 0.03 -0.05 -0.01 0.03 -0.07 -0.02 0.09 -0.10 -0.01 0.06 -0.13 -0.04 0.04 0.00 -0.04 -0.02 -0.01 -0.08 -0.02 0.05 0.16 0.05 -0.04 0.03 0.09 -0.03 -0.01 -0.05 0.23 0.04 0.11 0.18 -0.08 -0.04 -0.07 -0.09 0.01 -0.04 -0.05 -0.06 0.11 -0.04 -0.10 0.13 -0.11 -0.11 0.18 -0.01 -0.00 -0.00 0.00 0.00 0.04 -0.07 -0.15 0.03 0.01 0.08 -0.01 0.05 0.14 -0.02 0.33 0.32 -0.09 0.13 0.05 -0.02 0.12 -0.03 -0.05 -0.01 -0.22 -0.03 -0.12 0.00 -0.00 -0.17 0.04 -0.05 -0.08 -0.17 0.03 -0.02 0.13 -0.04 -0.02 -0.19 0.02 -0.02 0.06 -0.00 -0.01 -0.15 0.02 0.02 0.13 -0.03 0.01 0.13 -0.01 0.01 0.01 -0.01 -0.01 -0.00 0.02 0.00 -0.19 -0.01 -0.06 0.11 0.00 0.03 -0.07 -0.01 -0.07 -0.09 0.13 -0.04 0.06 0.01 -0.07 -0.02 -0.01 -0.11 -0.08 0.04 -0.08 0.02 0.00 0.03 0.18 -0.03 -0.00 -0.07 0.07 -0.00 -0.05 0.09 0.02 -0.03 -0.00 0.02 0.01 0.02 0.06 0.02 -0.04 0.04 0.17 -0.02 0.03 0.18 -0.02 -0.05 -0.14 0.01 -0.02 0.10 0.03 -0.24 -0.12 0.07 -0.01 0.11 -0.03 0.01 0.05 -0.07 0.02 0.07 -0.07 0.08 0.10 -0.14 0.03 -0.02 -0.12 -0.07 0.03 0.09 0.01 -0.05 0.02 0.10 0.15 -0.02 0.02 0.02 0.02 0.15 0.13 0.00 -0.21 -0.10 0.01 -0.11 -0.02 0.06 -0.09 -0.06 0.21 0.32 -0.07 -0.10 0.26 -0.01 0.15 -0.03 -0.03 -0.10 0.03 -0.05 0.11 -0.04 -0.08 -0.04 -0.05 0.04 -0.04 -0.10 -0.07 0.07 -0.10 0.07 -0.01 -0.03 0.05 -0.01 -0.12 -0.01 0.02 -0.06 -0.02 0.06 -0.07 -0.09 0.03 -0.01 0.04 0.02 -0.06 -0.05 -0.05 0.10 0.13 -0.21 -0.07 -0.02 -0.09 0.09 -0.05 -0.03 -0.04 -0.04 -0.01 0.11 0.04 0.05 0.05 0.08 0.03 0.02 0.09 -0.12 0.01 0.06 -0.15 -0.01 0.03 -0.00 -0.02 -0.02 -0.03 -0.06 -0.04 0.06 -0.10 0.11 -0.03 0.01 0.08 -0.04 -0.07 -0.05 -0.08 -0.08 -0.05 -0.15 -0.09 -0.06 -0.01 0.06 0.03 0.11 -0.02 -0.08 0.12 -0.01 -0.10 0.11 -0.10 -0.16 0.22 0.00 -0.03 -0.12 0.01 -0.03 -0.23 -0.03 -0.00 0.02 0.03 0.10 0.04 -0.15 -0.17 0.05 0.05 0.04 0.08 0.04 0.01 0.00 0.04 -0.02 -0.01 0.10 0.08 0.56 -0.22 0.06 0.12 -0.01 0.01 0.03 -0.02 0.01 0.08 -0.05 0.04 0.01 0.02 -0.02 -0.08 0.01 -0.01 -0.03 0.07 0.00 0.03 -0.04 0.02 -0.02 0.11 -0.03 -0.01 -0.06 0.02 -0.04 0.15 -0.04 -0.05 0.06 0.03 0.12 -0.00 0.01 0.01 0.05 0.00 -0.09 -0.02 -0.02 0.02 0.03 -0.01 -0.24 -0.07 0.03 0.08 0.00 -0.01 -0.10 -0.03 0.01 0.02 -0.02 0.02 0.08 -0.00 -0.01 0.01 -0.00 -0.01 0.02 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.01 0.01 -0.00 -0.06 0.02 -0.03 0.13 -0.06 -0.02 -0.05 0.02 0.09 0.03 -0.01 -0.42 -0.01 -0.02 -0.17 -0.07 0.03 0.01 -0.01 0.01 -0.01 0.00 0.02 -0.01 0.02 0.02 -0.02 0.01 0.01 0.02 0.02 -0.00 -0.05 -0.01 0.22 -0.03 0.25 0.12 -0.12 0.21 0.00 0.04 -0.15 -0.20 0.08 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.04 -0.17 0.05 -0.04 0.00 0.03 -0.03 0.01 -0.03 -0.02 -0.20 0.06 0.02 0.06 -0.02 -0.12 0.00 0.00 0.04 0.12 -0.01 -0.07 -0.33 0.05 0.05 0.19 -0.02 0.05 0.18 -0.03 -0.01 -0.09 0.02 -0.01 -0.12 -0.00 -0.16 -0.02 0.02 0.01 -0.03 0.01 -0.16 0.08 0.00 -0.01 -0.03 0.04 -0.09 -0.01 -0.00 -0.01 -0.05 0.02 -0.04 -0.04 0.01 0.00 0.02 -0.01 0.11 -0.07 0.01 -0.00 -0.02 0.03 -0.01 -0.02 0.03 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 0.01 -0.02 0.07 0.30 -0.04 0.07 0.33 -0.05 -0.02 -0.19 0.05 -0.12 -0.12 -0.00 -0.02 -0.04 -0.00 0.02 0.08 -0.03 0.01 0.02 -0.02 0.01 0.02 -0.02 0.02 0.04 -0.06 -0.04 -0.00 -0.06 -0.00 0.00 0.02 0.03 -0.04 0.00 0.02 0.04 -0.01 0.01 0.02 0.00 0.04 0.03 -0.00 -0.17 -0.01 -0.14 -0.26 0.34 0.08 -0.07 0.02 0.04 -0.06 0.03 0.08 0.10 -0.03 -0.21 0.07 0.00 0.07 0.15 -0.07 -0.14 -0.02 -0.00 -0.00 0.03 -0.02 0.02 -0.06 0.06 -0.01 -0.02 -0.01 0.03 -0.03 -0.02 -0.00 -0.04 0.03 -0.01 -0.03 0.02 -0.02 -0.04 -0.01 0.02 -0.01 0.00 0.00 -0.05 -0.03 0.01 0.12 -0.17 0.19 -0.05 -0.02 -0.01 0.08 -0.00 0.05 -0.02 -0.00 -0.01 0.16 -0.12 -0.13 0.01 0.02 0.00 0.03 -0.10 0.17 0.07 -0.10 0.17 0.07 0.00 0.06 0.09 -0.07 0.02 0.09 0.07 -0.08 -0.04 -0.03 0.03 -0.07 -0.03 0.02 0.07 0.03 0.06 -0.05 -0.04 -0.02 -0.02 -0.01 -0.01 0.01 -0.21 -0.18 0.13 0.08 -0.08 0.17 0.03 -0.10 0.14 0.24 -0.28 -0.16 -0.01 -0.26 -0.13 0.07 0.27 -0.10 0.13 -0.01 -0.12 -0.12 0.07 -0.12 -0.08 -0.02 -0.06 -0.03 0.00 -0.03 -0.02 -0.03 -0.02 0.04 0.02 0.25 -0.08 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.02 -0.04 -0.09 0.01 -0.00 0.03 -0.01 0.13 -0.01 0.01 -0.02 0.09 -0.01 0.16 -0.23 0.02 0.05 0.08 -0.10 0.06 0.11 0.06 0.01 -0.12 -0.14 0.02 -0.08 0.16 0.20 0.03 -0.01 0.09 -0.01 -0.01 0.22 0.11 -0.02 0.02 -0.02 0.02 0.25 0.06 -0.02 -0.02 -0.02 0.01 0.12 -0.02 -0.01 0.01 0.01 -0.01 -0.05 -0.02 0.00 0.01 -0.02 0.01 0.02 -0.01 0.02 0.02 -0.01 0.01 0.02 -0.01 0.01 0.03 0.01 -0.01 0.18 0.14 -0.05 0.18 0.17 -0.01 -0.04 -0.09 0.01 0.26 0.11 -0.02 0.13 -0.01 -0.02 -0.02 0.02 -0.02 0.02 0.01 -0.01 0.03 0.00 -0.01 0.04 0.03 -0.04 0.14 0.00 0.15 0.01 -0.01 -0.06 -0.02 0.04 -0.00 -0.06 -0.06 0.04 -0.05 0.02 -0.02 -0.01 0.00 -0.04 -0.12 -0.15 -0.14 -0.06 0.19 0.11 0.04 -0.01 -0.02 -0.21 0.01 -0.18 0.14 0.03 0.23 -0.18 -0.03 -0.18 -0.20 0.08 0.09 0.05 0.01 -0.01 -0.10 0.03 -0.13 0.00 -0.08 0.05 -0.06 0.03 -0.10 0.00 0.03 -0.09 -0.02 -0.03 0.07 0.01 -0.05 0.02 0.04 0.00 -0.06 0.05 -0.01 0.03 0.05 0.02 -0.05 0.04 -0.03 0.01 0.08 0.00 0.04 -0.20 0.01 -0.17 0.07 -0.01 0.03 -0.06 0.03 0.12 -0.01 -0.00 -0.00 0.08 -0.10 -0.02 0.10 0.01 0.07 0.12 -0.03 0.01 0.13 -0.02 0.04 0.18 -0.02 0.01 -0.13 0.07 -0.13 0.10 0.04 -0.15 -0.18 -0.01 -0.18 0.08 0.00 0.10 0.09 0.01 0.07 -0.12 0.04 0.16 0.07 0.01 0.02 0.11 -0.01 0.00 0.19 0.01 -0.02 -0.01 -0.01 -0.03 -0.02 0.00 0.01 -0.01 0.01 0.01 0.03 -0.08 -0.04 0.06 0.08 0.02 -0.05 -0.02 -0.08 0.15 0.19 0.11 -0.04 -0.08 -0.12 0.01 -0.01 0.07 -0.13 0.01 -0.09 0.42 -0.06 0.14 0.02 -0.00 -0.07 -0.02 0.02 -0.05 -0.02 -0.04 -0.03 0.01 -0.03 -0.01 0.03 0.05 0.02 -0.03 -0.01 0.00 0.04 -0.03 0.01 -0.02 0.04 0.00 0.05 0.03 0.02 0.00 -0.04 -0.13 -0.02 0.03 0.09 0.00 -0.01 -0.13 -0.02 -0.08 0.03 -0.00 0.04 0.10 -0.03 0.00 -0.11 -0.03 0.00 0.11 0.09 -0.07 -0.04 0.00 -0.00 -0.00 -0.14 -0.00 0.16 -0.08 -0.14 0.05 -0.16 0.03 0.07 -0.07 -0.03 0.04 -0.13 0.15 -0.08 -0.05 -0.03 -0.00 0.06 -0.06 0.00 0.04 0.02 -0.08 0.01 0.08 0.24 -0.05 0.01 0.21 -0.01 -0.03 -0.03 -0.13 0.08 -0.02 0.06 0.05 0.00 -0.07 0.35 -0.27 0.03 0.01 0.07 0.00 0.01 0.03 0.02 -0.02 -0.02 -0.07 0.15 0.08 -0.12 -0.14 -0.04 0.10 0.03 0.15 0.06 0.09 0.05 -0.02 -0.03 -0.05 -0.03 0.02 -0.18 -0.03 -0.00 -0.03 0.18 -0.03 0.04 -0.01 -0.05 -0.02 -0.00 0.02 -0.03 0.03 0.09 0.06 -0.00 0.05 -0.04 -0.05 -0.10 -0.02 0.02 0.04 -0.05 -0.05 0.05 -0.07 0.01 -0.07 0.01 -0.08 -0.07 -0.02 -0.01 0.09 0.23 0.04 -0.06 -0.18 -0.01 0.03 0.24 -0.01 -0.04 0.01 0.01 -0.08 -0.18 -0.01 -0.01 -0.04 0.07 -0.00 -0.20 0.05 -0.02 -0.03 -0.00 0.00 0.00 -0.06 -0.00 0.08 -0.04 -0.07 0.03 -0.07 0.01 0.04 -0.03 -0.02 0.02 -0.06 0.07 -0.04 0.01 0.07 -0.06 -0.05 0.12 -0.07 -0.02 -0.04 -0.02 -0.02 -0.16 -0.42 0.13 -0.00 -0.39 -0.01 0.00 -0.03 -0.06 0.04 -0.01 0.03 0.02 0.00 -0.03 0.17 -0.14 -0.01 -0.01 -0.00 -0.04 0.01 0.07 -0.07 0.07 -0.02 0.12 0.10 -0.12 0.14 -0.12 0.07 -0.04 -0.03 0.14 -0.01 -0.03 -0.02 -0.01 0.03 0.02 0.06 -0.14 -0.08 -0.07 0.01 -0.04 0.03 0.01 0.06 -0.00 0.09 -0.05 -0.06 -0.00 0.02 -0.06 -0.19 0.06 -0.03 -0.12 -0.02 0.12 0.22 -0.06 0.03 -0.13 -0.05 0.00 -0.11 0.00 0.09 0.14 -0.07 0.06 0.19 0.00 0.08 -0.13 0.14 -0.12 0.06 -0.09 0.09 0.05 0.13 -0.00 -0.00 -0.00 -0.02 0.11 -0.11 -0.04 0.03 -0.05 -0.19 -0.09 -0.07 -0.03 -0.01 0.03 0.00 0.01 0.00 0.01 -0.01 -0.02 0.02 0.01 0.01 0.02 -0.00 -0.00 0.03 0.00 0.00 0.03 -0.01 0.01 0.02 -0.23 -0.02 0.02 -0.26 -0.00 0.01 0.11 -0.06 0.00 0.19 -0.27 -0.34 -0.16 -0.14 -0.03 -0.03 0.04 0.00 0.00 0.00 0.02 0.00 0.00 0.03 -0.01 0.03 0.04 -0.00 0.05 0.04 -0.02 -0.05 -0.09 0.33 -0.04 -0.09 0.01 0.14 -0.14 0.07 -0.08 0.14 0.04 -0.07 0.02 0.03 0.03 -0.01 -0.02 -0.02 -0.12 -0.16 0.05 0.09 -0.01 0.04 -0.02 -0.01 -0.07 -0.01 0.06 0.02 0.04 -0.03 -0.01 0.08 -0.21 0.05 -0.05 -0.07 0.01 -0.08 0.12 -0.01 -0.07 -0.04 0.04 -0.09 -0.05 -0.02 -0.04 0.11 0.03 -0.05 0.11 -0.06 -0.03 -0.21 0.02 0.18 -0.16 0.01 -0.01 0.03 -0.04 0.01 -0.01 -0.00 0.17 -0.13 0.03 0.04 0.02 0.05 0.16 -0.30 0.03 0.03 -0.02 -0.04 0.02 -0.01 0.00 -0.02 0.02 0.01 -0.01 -0.02 -0.01 -0.02 0.01 0.00 -0.01 -0.01 -0.01 -0.03 0.01 -0.00 -0.11 -0.08 0.03 -0.14 -0.10 0.01 -0.03 0.07 0.03 0.12 -0.30 0.10 0.18 -0.30 0.02 -0.01 -0.03 -0.05 -0.01 0.00 -0.00 0.01 -0.00 0.00 -0.03 0.02 0.00 -0.12 0.00 -0.11 0.10 -0.04 -0.12 0.00 0.01 -0.00 -0.02 0.04 0.01 -0.01 -0.02 -0.02 0.03 0.00 0.03 0.01 -0.04 -0.03 0.00 0.05 0.03 -0.02 -0.02 -0.09 0.05 -0.04 -0.19 0.05 0.01 0.09 0.02 -0.01 -0.03 -0.09 0.02 0.01 0.00 0.00 0.04 0.02 0.05 0.34 -0.01 0.00 -0.02 0.01 0.05 0.33 0.04 0.04 0.32 -0.02 0.01 -0.00 0.02 0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.02 -0.05 -0.02 -0.00 0.01 -0.03 -0.00 -0.01 -0.00 -0.02 0.01 -0.08 -0.00 -0.15 0.01 -0.02 -0.04 -0.05 0.01 0.02 0.00 -0.00 -0.01 0.00 -0.04 -0.01 0.02 0.01 0.03 0.01 -0.02 0.00 0.03 0.01 0.02 0.05 0.01 -0.00 0.17 0.04 0.41 -0.12 0.07 0.42 0.22 -0.05 -0.11 -0.01 -0.03 0.04 0.02 -0.02 -0.06 -0.02 0.02 0.05 -0.03 0.01 0.01 0.01 0.01 0.01 0.06 0.04 -0.03 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 0.02 -0.02 0.09 -0.00 0.00 -0.08 -0.03 0.03 -0.00 0.10 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.01 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.01 0.05 0.32 0.00 -0.01 -0.03 0.01 0.00 0.01 -0.00 -0.00 -0.03 0.01 -0.01 -0.02 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 -0.01 -0.10 -0.02 -0.02 -0.13 -0.02 -0.05 -0.33 0.00 0.00 0.00 0.00 0.03 0.18 0.01 -0.00 0.01 -0.02 -0.02 -0.20 0.00 -0.00 0.00 0.00 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.00 -0.03 0.03 -0.02 -0.03 -0.01 0.00 0.01 0.03 0.12 0.71 -0.03 -0.04 -0.35 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 0.04 0.00 0.04 0.04 -0.01 -0.05 -0.02 -0.02 0.00 0.01 -0.05 -0.06 0.04 -0.06 0.04 -0.07 0.02 0.03 -0.04 0.02 -0.03 0.05 -0.01 -0.03 0.02 0.01 0.01 0.18 -0.03 0.03 -0.01 -0.05 -0.08 -0.12 0.04 0.02 -0.06 -0.04 0.02 0.06 -0.05 0.02 -0.11 0.06 0.02 -0.03 -0.01 -0.00 -0.07 0.02 0.02 -0.10 0.03 0.02 -0.05 -0.03 0.02 -0.08 -0.04 -0.01 0.09 -0.03 0.00 -0.02 0.07 -0.01 0.12 0.03 -0.03 0.04 0.13 -0.10 0.08 0.10 -0.01 -0.04 -0.01 0.08 -0.02 0.02 -0.01 0.04 0.10 -0.09 -0.03 0.03 -0.00 0.02 -0.04 0.10 -0.05 -0.04 0.09 0.01 -0.10 0.13 -0.08 -0.09 0.12 0.03 0.10 -0.20 -0.03 0.02 0.04 -0.11 0.05 0.02 -0.15 -0.04 0.04 0.10 0.20 -0.01 -0.09 -0.01 -0.02 -0.10 0.16 -0.08 0.06 -0.14 0.12 -0.12 -0.09 0.09 0.10 0.29 -0.55 -0.03 -0.00 -0.03 -0.04 0.01 0.04 0.02 0.02 -0.00 -0.01 0.04 0.05 -0.04 0.05 -0.03 0.06 -0.02 -0.03 -0.15 0.01 -0.05 0.16 -0.03 -0.01 -0.02 -0.01 -0.01 -0.14 0.04 -0.02 -0.01 -0.03 0.08 0.11 0.02 -0.02 0.02 -0.08 0.01 -0.06 0.03 -0.01 0.10 -0.04 -0.02 0.03 0.03 0.00 0.06 -0.03 -0.02 0.08 -0.04 -0.02 0.05 0.02 -0.01 0.07 0.04 0.01 -0.07 0.02 0.00 0.01 -0.06 0.01 -0.10 -0.03 0.02 0.03 0.18 -0.00 -0.07 -0.08 0.01 0.03 -0.04 -0.06 0.01 -0.02 0.01 0.01 0.15 0.04 0.02 -0.03 0.00 0.09 0.01 0.10 -0.09 0.06 0.11 0.10 -0.12 0.07 -0.15 -0.05 0.05 0.02 -0.03 -0.20 0.02 -0.04 -0.03 0.08 -0.07 -0.02 0.11 -0.06 -0.01 -0.09 -0.16 0.01 0.07 0.00 0.02 0.17 0.19 0.02 0.23 -0.22 0.03 -0.33 -0.08 -0.02 0.05 0.02 -0.49 -0.01 0.00 -0.01 -0.02 0.00 0.03 0.01 0.00 0.00 0.01 0.03 0.04 -0.03 0.05 -0.02 0.04 -0.03 -0.04 0.18 -0.18 -0.11 -0.16 -0.02 -0.08 0.02 -0.01 0.02 0.05 -0.00 0.02 -0.05 -0.01 0.01 0.02 0.03 0.03 -0.06 -0.03 0.03 -0.06 0.03 0.00 0.03 -0.03 -0.02 0.05 0.00 -0.02 0.07 -0.03 -0.05 0.03 -0.03 -0.01 0.07 -0.01 -0.03 0.05 0.06 -0.00 -0.05 0.03 0.01 -0.00 -0.04 0.02 -0.08 -0.02 -0.01 -0.04 0.03 -0.17 -0.06 -0.06 0.01 -0.01 -0.01 0.03 -0.01 -0.00 -0.01 -0.04 0.07 -0.02 0.02 -0.03 0.01 0.03 -0.17 -0.08 -0.09 -0.06 -0.03 0.02 0.07 0.18 -0.02 0.12 0.22 0.09 0.27 0.04 0.09 -0.02 -0.04 0.05 -0.08 -0.02 0.01 -0.00 0.03 -0.07 -0.11 0.01 0.04 0.01 -0.03 -0.02 0.13 -0.00 -0.22 0.21 0.28 0.14 0.12 0.33 0.13 0.35 -0.17 -0.01 -0.03 0.00 0.00 0.03 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.02 -0.00 -0.03 -0.15 0.02 0.03 0.13 -0.02 0.08 0.40 -0.07 -0.07 -0.40 0.06 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 0.02 -0.00 -0.00 -0.00 0.02 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.01 0.01 0.01 0.00 0.01 0.00 -0.10 -0.51 0.08 0.12 0.55 -0.09 -0.01 -0.10 0.02 -0.00 -0.00 0.01 0.00 0.00 0.05 -0.01 -0.05 0.01 -0.01 0.01 0.02 -0.00 0.01 0.02 0.01 0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.02 -0.21 0.14 -0.04 0.13 -0.11 -0.19 0.08 -0.03 0.25 0.01 -0.01 -0.01 -0.02 -0.02 -0.02 0.00 0.01 0.06 -0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.01 -0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.03 -0.16 -0.01 0.00 -0.02 -0.00 0.01 0.04 -0.05 0.03 0.00 0.03 -0.02 0.00 -0.05 -0.03 0.04 0.04 0.03 0.02 -0.00 -0.03 -0.18 -0.01 -0.02 -0.14 0.02 0.02 0.12 0.01 -0.00 0.00 0.02 0.02 0.12 0.01 -0.01 0.01 0.01 0.04 0.25 0.01 0.01 0.00 -0.02 -0.02 -0.16 0.02 -0.00 0.00 -0.02 -0.01 -0.01 0.03 0.02 0.02 -0.01 0.02 0.01 -0.00 0.02 0.01 -0.07 0.06 -0.02 0.05 -0.06 -0.01 -0.03 0.01 0.00 0.02 0.05 0.24 0.04 0.10 0.70 0.02 0.02 -0.01 0.02 0.02 0.03 0.01 0.02 0.02 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.02 -0.02 0.01 0.00 0.01 -0.07 -0.06 0.02 -0.06 0.07 -0.08 0.08 0.00 -0.04 -0.06 -0.04 -0.11 -0.17 -0.14 -0.07 0.02 -0.07 -0.16 0.03 -0.03 -0.03 -0.02 0.02 0.07 -0.03 -0.05 0.12 -0.07 -0.02 0.08 -0.05 0.03 0.04 0.04 0.00 -0.09 0.02 0.03 -0.09 0.04 0.08 -0.01 0.01 -0.00 -0.11 -0.03 0.07 -0.04 -0.05 -0.00 0.04 -0.04 0.02 0.02 0.04 0.00 0.08 0.02 -0.01 0.08 -0.03 0.13 0.07 0.05 -0.03 0.05 -0.05 -0.07 0.02 -0.02 -0.04 0.09 0.06 0.07 -0.03 0.06 0.02 0.22 0.02 0.05 -0.17 -0.03 -0.08 0.27 0.18 0.10 -0.13 0.19 0.01 -0.04 0.02 0.13 -0.16 0.05 0.05 -0.05 0.02 0.02 0.06 -0.06 -0.05 0.08 0.08 -0.06 -0.03 -0.05 -0.09 0.23 0.12 -0.01 0.33 0.16 0.06 -0.02 0.23 0.02 -0.10 -0.27 0.09 -0.01 0.01 -0.00 -0.02 0.01 0.04 -0.00 0.03 -0.00 -0.08 -0.09 -0.20 0.10 -0.12 0.12 -0.10 0.24 0.07 0.10 -0.12 -0.07 0.11 0.12 0.12 -0.13 0.07 0.05 -0.06 0.01 0.00 0.05 0.01 0.09 0.20 -0.06 0.05 0.07 -0.01 -0.05 0.08 -0.03 -0.00 0.17 0.03 -0.02 -0.12 0.03 -0.04 0.06 0.00 0.02 -0.04 -0.00 -0.11 -0.00 -0.07 0.03 -0.09 -0.06 -0.08 -0.03 -0.03 0.00 0.08 -0.03 0.00 0.00 -0.01 -0.01 -0.16 0.04 -0.07 0.08 -0.05 0.02 0.11 -0.04 -0.04 0.12 -0.08 0.02 -0.07 0.01 0.02 -0.10 0.11 -0.02 -0.14 -0.12 -0.10 0.01 0.13 0.05 -0.18 -0.09 -0.07 -0.04 0.04 0.07 0.02 0.03 -0.03 -0.02 -0.00 -0.02 -0.15 -0.00 -0.04 0.21 -0.05 0.05 0.06 -0.12 0.04 0.14 -0.07 0.02 0.18 -0.03 0.03 -0.34 0.03 -0.03 -0.19 -0.03 0.08 0.03 0.12 -0.02 -0.00 0.01 0.05 0.01 0.01 0.05 -0.01 -0.01 0.00 -0.01 0.03 0.07 -0.01 0.02 -0.08 0.02 -0.09 0.01 -0.01 -0.04 -0.04 0.04 -0.01 0.01 0.01 0.03 0.22 0.03 -0.02 -0.09 0.08 -0.03 0.00 0.01 0.00 0.05 -0.04 -0.00 -0.05 0.02 -0.03 -0.02 0.00 0.04 0.09 -0.02 -0.02 -0.21 0.21 -0.05 -0.03 -0.25 0.04 -0.04 0.17 -0.08 -0.15 -0.23 0.01 -0.15 0.03 -0.02 0.01 -0.02 0.05 0.02 0.04 0.00 -0.05 -0.04 -0.02 0.09 -0.01 0.07 0.01 -0.05 -0.00 -0.06 -0.04 0.03 0.03 0.01 0.01 -0.04 0.04 -0.03 -0.02 0.04 -0.05 0.06 -0.07 0.07 0.03 0.08 0.05 -0.04 -0.09 0.12 -0.02 -0.02 -0.06 0.06 0.35 -0.07 0.04 -0.41 0.07 0.06 0.10 -0.03 0.01 0.01 0.12 0.03 -0.09 0.02 0.05 -0.05 -0.00 -0.06 0.12 0.12 -0.15 -0.15 0.12 -0.08 -0.06 -0.20 0.06 -0.01 0.00 0.02 0.00 -0.00 0.03 0.02 0.02 -0.00 -0.08 -0.04 -0.19 0.09 -0.06 0.12 -0.03 0.21 0.04 -0.07 0.10 0.08 -0.10 -0.06 -0.09 0.05 0.00 0.09 0.02 -0.02 -0.06 -0.07 0.01 -0.02 -0.06 0.04 -0.00 -0.10 0.03 0.05 -0.09 0.09 -0.01 -0.05 -0.08 0.06 0.07 -0.07 -0.09 0.15 -0.04 -0.06 -0.05 0.02 0.03 0.16 0.02 -0.12 -0.02 0.07 -0.04 -0.09 0.08 -0.00 0.06 -0.13 0.03 -0.12 -0.03 -0.01 0.11 -0.02 -0.00 0.02 -0.18 0.04 -0.10 0.03 -0.02 0.10 -0.07 0.01 -0.01 0.00 0.02 -0.11 0.06 -0.01 0.09 0.14 -0.00 0.03 -0.16 0.00 0.09 0.02 0.08 0.09 -0.09 -0.05 0.03 -0.00 -0.01 0.29 0.01 0.00 -0.05 0.10 0.03 -0.00 0.02 -0.03 -0.02 -0.34 0.06 0.28 -0.01 -0.00 -0.12 -0.00 0.04 0.18 -0.13 0.15 0.24 -0.00 -0.09 0.04 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.02 -0.01 -0.05 0.02 -0.01 0.04 -0.00 0.06 0.00 0.02 -0.01 -0.08 0.04 -0.02 0.07 0.05 -0.03 -0.03 0.06 -0.01 0.02 0.07 -0.03 -0.05 -0.08 0.05 -0.00 -0.04 -0.02 -0.02 -0.05 0.05 -0.00 -0.09 -0.10 0.01 0.05 -0.06 0.04 -0.03 0.01 -0.03 0.04 0.01 0.04 0.00 0.07 -0.01 0.07 0.06 0.04 -0.03 0.05 -0.01 0.02 -0.05 0.00 -0.04 -0.00 0.01 -0.04 -0.02 0.07 0.00 -0.07 0.01 -0.04 0.02 0.04 0.03 -0.01 -0.00 0.04 -0.01 -0.07 -0.03 0.01 0.00 -0.04 -0.21 0.27 -0.00 0.22 -0.19 0.04 0.07 -0.08 -0.09 0.06 0.03 -0.04 -0.04 0.04 0.02 0.10 -0.03 0.13 0.10 -0.02 -0.09 0.06 0.00 -0.01 -0.12 0.01 0.11 0.01 -0.01 -0.08 0.20 -0.12 0.13 0.34 -0.46 -0.22 -0.13 0.25 -0.06 -0.13 0.03 0.01 -0.01 -0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.02 0.00 -0.01 0.02 -0.01 0.02 0.00 0.02 -0.10 -0.01 0.09 0.04 0.00 0.03 -0.04 -0.02 0.06 -0.01 0.03 0.10 -0.04 -0.04 -0.05 0.04 0.01 -0.01 0.01 -0.05 -0.01 0.04 -0.00 -0.08 -0.14 0.01 0.02 -0.07 0.04 -0.04 0.03 -0.02 0.03 0.01 0.02 -0.01 0.07 -0.00 0.05 0.07 0.03 -0.02 0.03 -0.01 0.01 -0.01 -0.00 -0.02 0.01 0.01 -0.07 0.01 0.05 -0.00 -0.02 0.00 -0.01 0.05 0.04 0.02 0.01 -0.01 0.02 -0.02 -0.08 -0.01 0.01 0.00 0.05 0.07 -0.17 -0.14 -0.06 0.27 0.01 0.00 -0.02 -0.11 0.17 -0.04 -0.05 -0.04 0.05 -0.01 0.17 -0.04 0.11 0.17 -0.04 -0.09 -0.04 0.03 -0.01 -0.05 0.01 0.06 0.03 -0.01 -0.18 -0.44 -0.02 -0.05 -0.09 0.15 -0.15 0.37 -0.39 -0.07 -0.16 0.02 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.02 -0.01 -0.02 -0.02 -0.03 -0.00 0.01 0.01 0.00 0.01 -0.00 0.02 0.00 -0.02 -0.04 0.01 -0.02 0.01 -0.00 -0.01 0.02 0.00 0.03 0.05 -0.01 0.00 -0.07 0.02 0.06 0.01 -0.00 -0.02 -0.16 0.03 -0.03 -0.07 0.00 0.00 0.03 0.01 -0.01 0.03 -0.02 0.00 0.06 -0.01 -0.01 0.05 -0.02 -0.00 -0.01 0.00 0.02 0.04 -0.01 0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.04 -0.00 0.01 -0.04 -0.01 0.02 0.04 -0.01 0.01 0.02 0.01 0.02 0.01 -0.00 -0.02 0.01 -0.02 0.01 -0.04 0.01 -0.03 -0.00 -0.01 0.03 -0.02 -0.02 -0.00 0.00 0.01 0.02 0.21 -0.03 0.01 0.24 -0.04 0.05 0.12 -0.02 -0.01 0.04 -0.00 -0.00 0.03 -0.00 0.25 0.84 -0.12 -0.05 -0.01 0.01 0.06 0.01 -0.04 0.00 0.03 0.04 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 -0.00 0.02 -0.03 0.01 0.02 0.03 0.03 0.01 -0.01 0.01 -0.02 0.00 0.02 0.02 0.01 0.03 0.04 -0.02 0.03 0.01 0.01 0.03 -0.00 -0.03 -0.04 -0.01 0.01 -0.04 -0.05 0.01 -0.07 -0.01 0.00 0.01 0.16 -0.03 0.04 0.07 -0.00 -0.01 -0.03 -0.01 0.02 -0.02 0.02 -0.00 -0.04 0.00 0.01 -0.06 0.03 0.00 0.01 -0.00 -0.02 -0.05 0.01 -0.00 -0.01 0.00 -0.02 -0.02 0.03 0.02 -0.04 0.00 -0.03 -0.06 0.03 -0.03 -0.05 0.01 0.02 0.03 -0.04 -0.02 -0.02 0.01 -0.00 0.00 -0.02 -0.03 -0.04 0.07 -0.01 0.02 -0.03 -0.00 0.04 -0.04 -0.02 -0.03 0.04 -0.03 -0.21 0.02 0.00 -0.24 0.03 -0.02 0.11 -0.01 0.02 -0.05 0.00 0.01 -0.03 0.00 0.15 0.83 -0.17 -0.02 0.03 -0.04 0.02 0.12 -0.16 -0.03 -0.05 0.06 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.16 0.02 -0.04 0.13 0.02 -0.14 0.04 -0.05 0.08 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.02 -0.00 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.02 0.01 0.01 0.01 0.00 0.00 -0.02 0.00 0.01 0.01 -0.00 0.01 0.01 0.03 0.18 0.02 0.06 0.44 0.00 -0.02 -0.17 -0.00 0.00 -0.00 0.02 -0.01 -0.03 0.01 0.00 0.00 -0.01 -0.02 -0.05 0.00 -0.00 0.00 -0.01 -0.02 -0.08 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.03 -0.00 0.02 0.03 -0.01 -0.01 -0.00 -0.00 -0.00 -0.06 -0.45 -0.04 -0.10 -0.65 0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.06 0.05 0.01 -0.07 -0.07 -0.11 0.07 0.03 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.05 -0.15 0.01 0.04 -0.00 0.00 0.02 -0.01 -0.02 -0.04 -0.02 0.02 -0.07 0.02 0.01 0.29 0.00 -0.02 0.04 0.20 -0.04 0.04 -0.01 0.01 0.02 -0.10 -0.02 0.05 -0.08 0.03 0.05 0.05 -0.02 0.07 0.04 0.02 -0.05 -0.09 0.03 0.08 0.13 0.02 -0.17 -0.07 0.00 0.00 -0.00 0.01 -0.26 0.03 0.01 -0.05 -0.00 0.03 0.14 0.14 -0.03 -0.00 0.01 -0.04 0.07 0.08 -0.02 0.01 -0.01 0.03 -0.01 -0.02 0.02 0.03 0.02 -0.01 0.00 0.02 -0.02 0.00 -0.02 0.02 -0.02 -0.42 0.04 0.02 -0.49 0.06 -0.02 0.06 0.00 -0.30 -0.11 -0.01 0.00 0.09 -0.07 -0.11 0.01 -0.02 0.05 0.04 -0.06 0.01 0.05 -0.07 0.00 -0.03 0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.04 -0.01 -0.01 0.02 -0.03 -0.00 0.02 0.03 0.03 -0.01 -0.01 -0.01 0.02 0.01 -0.02 -0.01 -0.02 -0.05 0.12 -0.02 0.04 -0.01 -0.00 0.00 -0.03 0.00 0.02 0.04 0.03 -0.09 0.01 0.01 0.13 -0.08 0.01 0.02 -0.14 0.00 0.02 0.16 -0.00 0.06 0.07 -0.03 0.08 0.05 -0.02 -0.00 -0.15 0.04 0.03 -0.14 0.03 0.05 -0.06 0.01 -0.04 -0.00 0.00 -0.02 -0.08 0.01 0.00 0.03 -0.04 -0.11 -0.02 0.01 -0.04 0.00 0.02 -0.02 0.00 -0.00 -0.02 0.11 -0.05 -0.02 -0.02 0.01 -0.02 -0.05 0.08 -0.00 -0.06 0.05 0.02 0.02 -0.05 0.05 0.01 -0.04 0.03 -0.05 0.07 0.09 0.36 -0.09 0.19 0.44 -0.10 -0.04 -0.39 0.09 -0.11 -0.01 0.00 -0.11 -0.03 0.00 -0.14 -0.09 0.01 0.05 0.15 -0.22 0.10 0.13 -0.20 0.05 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.03 0.00 0.03 -0.02 0.04 0.00 -0.02 -0.05 -0.03 0.02 0.01 -0.00 0.02 0.00 -0.03 -0.01 -0.02 -0.01 -0.05 0.00 0.00 0.01 -0.00 -0.03 -0.05 0.03 0.05 0.04 0.01 -0.02 -0.02 0.01 -0.11 0.04 0.00 0.05 0.04 -0.01 -0.05 -0.07 0.02 -0.02 -0.03 0.03 -0.02 -0.05 -0.03 -0.01 0.07 0.01 0.00 0.08 -0.03 -0.04 0.03 -0.00 0.04 0.01 -0.00 0.03 0.08 -0.01 0.01 0.07 -0.09 0.11 0.03 -0.01 0.01 -0.04 0.00 0.00 -0.03 0.01 0.01 0.23 -0.03 0.03 0.03 -0.01 -0.06 -0.08 0.10 0.01 -0.10 0.08 -0.03 0.02 -0.08 0.09 0.00 -0.07 0.02 -0.07 0.10 -0.09 -0.15 0.02 -0.06 -0.14 0.00 -0.05 -0.49 0.10 0.11 0.03 -0.01 0.06 -0.01 -0.00 -0.04 -0.25 0.08 0.01 0.25 -0.35 0.18 0.19 -0.31 0.07 0.11 0.01 0.01 -0.00 0.02 0.01 -0.01 -0.01 -0.01 0.04 -0.01 -0.11 0.08 -0.17 -0.03 0.08 0.20 0.15 -0.12 -0.03 0.04 -0.04 -0.02 0.01 0.02 0.01 0.09 -0.04 0.02 -0.07 0.03 0.01 -0.05 -0.02 0.03 -0.02 0.04 -0.08 0.16 -0.04 0.01 0.20 0.02 -0.01 -0.08 0.07 0.02 0.02 -0.15 -0.02 -0.07 -0.03 0.03 -0.10 -0.02 0.06 -0.02 0.08 -0.07 -0.05 0.10 -0.02 0.09 0.01 -0.00 -0.09 -0.05 0.00 0.00 -0.10 0.01 0.04 0.02 -0.02 -0.11 -0.05 0.01 0.07 -0.08 -0.02 0.01 0.15 -0.02 0.09 0.15 0.05 -0.11 -0.13 0.03 -0.04 -0.03 0.00 0.03 -0.03 0.01 -0.09 0.01 -0.03 0.02 -0.03 -0.04 -0.08 0.02 0.02 -0.03 -0.16 0.09 -0.15 -0.12 0.09 -0.18 -0.48 0.01 -0.09 0.04 0.01 -0.01 0.15 -0.01 0.19 -0.21 0.09 -0.10 0.08 -0.09 0.09 0.02 -0.07 -0.06 0.12 0.04 -0.01 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.04 0.03 -0.07 -0.01 0.03 0.08 0.06 -0.07 -0.01 -0.03 0.05 0.02 -0.03 -0.03 -0.03 -0.04 0.01 -0.01 0.04 -0.03 -0.00 0.02 -0.00 0.01 0.06 -0.08 0.08 -0.10 -0.00 -0.02 0.05 0.00 -0.00 0.08 -0.01 -0.02 -0.07 -0.10 0.05 -0.00 -0.02 0.02 0.01 -0.01 -0.08 -0.00 0.08 0.05 0.01 0.04 -0.02 0.02 0.00 -0.00 -0.03 -0.00 0.00 0.04 0.00 -0.00 -0.04 0.04 -0.06 0.03 0.02 -0.01 -0.00 0.10 -0.00 -0.00 0.04 -0.01 -0.09 -0.06 -0.04 -0.05 -0.05 0.01 0.00 -0.01 0.04 -0.03 -0.01 0.03 0.06 -0.02 -0.01 0.02 0.04 0.02 0.11 -0.06 0.03 -0.11 -0.06 -0.02 -0.04 -0.19 -0.04 0.25 0.78 -0.06 0.05 0.09 -0.02 -0.01 0.04 -0.01 -0.10 0.04 -0.03 0.07 0.08 -0.13 -0.01 0.11 -0.12 0.13 -0.02 -0.08 0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 0.02 0.01 -0.01 -0.03 -0.02 0.03 0.00 0.03 -0.03 -0.02 0.02 0.02 0.02 0.03 0.01 0.01 -0.05 -0.03 0.02 -0.05 -0.02 0.00 -0.05 -0.10 -0.04 0.06 -0.07 0.04 -0.01 -0.01 0.00 -0.05 -0.02 0.02 0.04 0.04 -0.04 -0.00 0.02 -0.01 -0.00 0.04 0.04 -0.00 -0.04 -0.04 -0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.06 0.07 -0.09 -0.02 -0.02 0.00 0.07 0.17 -0.04 -0.00 -0.01 0.00 0.05 0.03 0.04 0.02 0.02 -0.00 -0.01 -0.04 0.04 0.01 -0.04 0.03 -0.03 0.03 0.00 -0.00 -0.03 -0.03 -0.11 -0.01 0.05 0.06 0.06 0.02 -0.01 -0.00 0.05 0.09 0.75 -0.17 -0.03 -0.04 0.01 -0.00 -0.01 0.00 0.07 -0.11 0.06 0.04 0.18 -0.23 0.11 0.14 -0.23 -0.06 0.17 -0.13 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.13 0.01 0.01 -0.00 -0.00 -0.00 -0.05 0.02 -0.04 -0.11 0.01 0.00 0.00 -0.00 0.01 0.03 -0.01 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.00 -0.01 0.01 0.01 0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.04 0.05 0.01 0.00 -0.00 0.06 0.37 -0.06 0.00 0.00 -0.00 0.00 0.03 -0.02 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.00 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 0.02 -0.03 -0.03 -0.10 0.01 0.00 -0.00 -0.01 -0.13 -0.77 0.13 0.01 0.01 0.00 0.00 0.01 0.00 0.04 0.29 -0.07 -0.04 -0.10 0.14 -0.04 -0.10 0.14 -0.01 -0.08 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.03 0.00 0.01 -0.02 -0.01 0.02 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.04 -0.26 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.01 0.03 0.08 0.53 -0.02 -0.04 -0.21 -0.02 -0.05 -0.33 -0.01 0.00 -0.00 0.01 0.02 0.12 0.00 -0.00 0.00 0.01 0.02 0.16 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.01 0.01 0.01 0.02 0.01 -0.00 0.00 -0.00 0.03 0.09 0.56 0.01 0.05 0.34 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 0.02 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.02 -0.01 0.03 0.01 -0.01 -0.04 -0.03 0.04 0.01 -0.06 0.09 0.05 -0.10 -0.06 -0.08 0.09 -0.03 0.01 -0.03 0.01 0.05 0.04 -0.04 0.05 -0.05 -0.03 -0.05 0.14 -0.08 -0.08 -0.01 0.01 0.01 -0.11 0.00 0.02 0.08 0.06 -0.05 -0.06 0.03 -0.01 -0.04 0.04 0.08 -0.04 -0.04 -0.07 -0.04 -0.03 0.02 0.02 0.01 -0.01 -0.00 -0.02 0.01 -0.03 -0.04 0.01 -0.14 0.01 0.04 -0.06 -0.05 0.01 0.11 -0.00 0.00 -0.01 0.01 -0.00 -0.01 0.14 -0.03 0.02 0.01 -0.00 -0.09 -0.01 -0.03 -0.05 0.04 0.02 -0.03 -0.13 -0.12 0.06 0.12 0.08 0.36 -0.06 0.00 0.04 0.07 0.03 -0.04 0.05 0.08 -0.07 0.37 -0.07 -0.07 -0.08 0.00 0.01 0.01 -0.01 0.20 -0.09 -0.04 -0.26 -0.12 0.12 -0.19 -0.07 0.19 0.33 -0.17 0.22 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.02 0.01 0.01 0.00 -0.02 0.02 -0.00 0.01 0.01 -0.01 -0.01 -0.06 0.00 0.00 -0.02 0.02 -0.04 -0.02 0.01 0.00 -0.01 -0.00 0.02 -0.02 -0.00 -0.02 -0.01 0.02 0.02 -0.01 -0.00 0.01 0.01 -0.02 0.01 0.01 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.01 -0.05 0.07 0.01 0.01 -0.00 -0.03 -0.00 0.00 -0.00 -0.01 0.00 0.04 0.18 -0.03 -0.00 -0.00 0.00 -0.00 -0.02 0.02 0.02 -0.03 0.02 -0.01 0.05 -0.03 0.02 -0.00 -0.07 -0.05 0.06 -0.06 0.01 0.03 -0.02 0.01 -0.05 -0.01 0.11 0.41 -0.06 0.01 0.02 0.00 -0.01 -0.01 0.00 -0.10 -0.18 0.03 -0.09 -0.26 0.37 -0.03 -0.31 0.38 -0.15 -0.23 0.40 0.00 -0.01 0.01 -0.00 -0.01 0.01 -0.02 0.08 -0.01 0.12 -0.02 0.12 0.05 -0.03 -0.15 -0.08 0.14 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.47 -0.07 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.05 -0.17 0.03 0.00 0.04 -0.00 -0.08 -0.43 0.05 -0.01 -0.05 0.00 0.01 -0.04 0.03 0.03 0.17 -0.05 0.05 0.16 -0.04 0.18 0.00 -0.02 -0.12 -0.09 0.03 0.06 -0.25 0.04 -0.00 -0.01 0.01 -0.12 -0.15 0.03 0.00 -0.00 0.00 -0.16 -0.11 0.02 0.01 0.01 -0.00 0.02 0.03 -0.00 -0.00 0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.11 0.02 -0.01 -0.16 0.04 -0.03 -0.06 0.00 -0.09 -0.06 -0.00 -0.31 -0.16 0.03 0.00 0.00 -0.00 -0.00 0.03 -0.04 0.00 0.04 -0.04 0.02 0.03 -0.05 -0.04 -0.01 -0.08 0.04 -0.02 -0.09 -0.00 0.01 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.02 -0.01 0.02 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 0.06 -0.02 -0.02 -0.00 -0.00 -0.05 -0.00 -0.04 0.03 0.01 -0.00 0.06 0.03 -0.04 -0.03 -0.01 0.01 -0.01 -0.03 -0.01 -0.02 0.05 0.06 0.26 0.14 -0.04 -0.10 -0.22 0.04 -0.10 0.15 0.01 0.26 -0.17 0.07 0.29 0.02 0.01 0.02 -0.01 -0.02 -0.00 -0.01 -0.03 -0.00 -0.02 -0.07 0.11 -0.03 -0.03 0.01 -0.01 -0.00 -0.03 -0.01 0.01 0.00 0.03 0.13 -0.01 0.00 0.00 -0.00 0.01 0.07 -0.10 0.03 0.07 -0.10 -0.03 -0.05 0.05 -0.00 -0.06 0.06 -0.01 -0.01 0.03 0.03 -0.02 -0.17 -0.13 0.01 -0.15 0.07 0.16 0.02 -0.03 -0.04 0.02 -0.00 0.02 0.00 0.04 -0.09 -0.01 0.03 0.18 -0.25 0.09 0.20 -0.28 0.08 0.26 -0.29 0.01 0.00 0.03 -0.02 0.01 0.04 0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.02 0.01 -0.02 -0.00 -0.00 -0.02 0.02 -0.01 -0.02 0.02 -0.06 0.01 0.01 0.02 0.00 0.01 0.02 -0.07 -0.01 -0.01 -0.01 0.00 -0.05 -0.03 0.01 0.01 -0.00 0.00 0.02 -0.01 0.00 -0.03 -0.02 -0.09 -0.03 0.01 0.03 0.11 -0.01 0.03 -0.04 -0.00 -0.09 0.08 -0.03 -0.11 -0.02 -0.01 -0.00 0.01 0.02 -0.00 0.00 0.03 -0.00 -0.04 -0.13 0.18 0.02 0.03 -0.01 -0.04 0.01 0.02 0.01 -0.01 -0.00 0.06 0.20 -0.05 -0.00 -0.00 0.00 0.02 0.10 -0.15 0.04 0.10 -0.14 -0.04 -0.07 0.07 -0.01 -0.07 0.09 -0.00 -0.02 0.03 0.01 0.03 0.04 0.08 -0.05 0.05 0.04 0.20 -0.04 0.02 0.03 -0.01 0.01 -0.02 0.00 -0.12 -0.10 -0.01 0.04 0.23 -0.32 0.10 0.27 -0.37 0.11 0.33 -0.39 0.02 0.00 0.02 -0.01 0.01 0.03 -0.01 0.04 -0.01 0.05 -0.01 0.05 0.03 -0.01 -0.07 -0.04 0.10 0.01 0.01 -0.01 -0.00 0.02 0.01 0.02 0.27 -0.17 0.00 0.05 -0.02 -0.05 0.00 -0.00 0.04 0.16 -0.01 0.16 -0.10 0.01 -0.05 -0.03 0.07 -0.01 0.09 -0.03 -0.01 0.07 0.10 -0.07 -0.22 0.08 0.16 -0.09 0.00 -0.19 -0.20 -0.00 -0.01 -0.05 -0.04 -0.11 0.12 0.06 -0.02 -0.08 -0.10 0.02 0.02 -0.16 0.02 -0.01 -0.04 0.03 -0.07 -0.17 0.03 -0.03 -0.00 -0.02 -0.06 0.14 -0.02 -0.08 0.04 -0.04 0.00 -0.02 0.01 0.04 0.02 -0.01 0.03 -0.01 -0.03 0.04 0.04 0.05 0.01 -0.06 -0.03 -0.08 0.02 -0.01 -0.41 0.11 0.06 -0.22 0.03 -0.12 0.24 0.02 0.14 -0.06 -0.14 0.01 0.01 0.17 -0.03 -0.09 -0.01 -0.03 0.13 0.01 0.01 0.10 -0.02 -0.03 -0.08 0.02 -0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.03 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.09 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.04 -0.18 0.03 -0.00 0.00 -0.00 0.01 0.05 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 0.01 0.19 0.94 -0.15 0.03 0.14 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 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 0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.04 0.05 0.01 0.03 -0.04 0.02 0.07 -0.10 -0.03 -0.07 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 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.14 -0.41 0.56 0.13 0.40 -0.54 -0.00 -0.02 0.03 -0.02 0.00 -0.02 -0.01 0.00 0.01 -0.01 0.03 -0.00 0.03 0.00 0.03 0.02 0.00 -0.04 -0.02 0.05 0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.06 -0.10 0.02 -0.06 0.01 0.00 -0.02 -0.03 -0.20 -0.06 -0.01 -0.16 -0.05 0.06 0.31 0.00 0.06 -0.01 0.10 -0.04 0.00 -0.07 0.04 0.00 0.09 0.05 0.13 0.02 -0.02 -0.10 0.08 -0.02 0.12 0.01 -0.02 -0.08 0.03 0.01 -0.00 -0.08 -0.08 0.02 0.09 -0.11 0.01 0.08 -0.01 0.01 0.10 -0.11 0.01 -0.07 0.02 0.00 -0.08 0.18 -0.02 0.27 -0.05 0.05 -0.02 -0.03 0.01 -0.05 0.00 -0.02 -0.05 0.01 0.02 -0.11 -0.10 -0.08 -0.06 0.14 0.06 0.11 -0.02 0.01 -0.00 -0.24 0.16 -0.03 0.03 -0.08 0.03 -0.02 -0.21 0.14 0.03 -0.02 -0.03 0.21 -0.04 -0.17 -0.00 0.26 -0.22 0.06 -0.15 -0.23 0.03 0.12 0.11 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 0.02 -0.00 0.00 -0.00 0.02 0.07 -0.01 0.00 0.01 -0.00 -0.03 -0.16 0.04 -0.00 0.00 -0.01 0.01 0.04 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.19 0.95 -0.15 -0.02 -0.06 0.00 -0.01 -0.05 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 0.01 0.01 -0.01 0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.04 -0.01 0.05 0.00 0.04 0.03 0.00 -0.06 -0.02 0.07 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.26 -0.12 0.03 0.02 0.00 0.05 0.02 0.01 0.11 -0.05 0.01 -0.02 0.03 -0.04 -0.18 0.03 0.08 -0.01 -0.06 0.02 -0.01 -0.08 0.04 -0.00 0.08 -0.06 -0.14 0.09 0.00 0.17 0.04 -0.02 -0.03 0.03 -0.01 0.04 -0.00 -0.01 0.00 -0.13 -0.12 0.03 0.15 -0.15 0.02 -0.06 0.00 -0.00 0.23 -0.15 0.01 0.06 -0.01 0.03 -0.13 0.31 -0.04 -0.15 0.03 -0.03 -0.04 -0.05 0.01 0.03 0.00 0.00 0.02 -0.00 -0.00 0.06 0.05 0.05 0.03 -0.07 -0.04 -0.05 0.01 -0.00 0.22 0.04 -0.11 0.16 0.01 0.13 -0.17 0.02 0.03 0.31 0.11 -0.03 -0.08 0.33 -0.06 0.08 0.01 -0.17 0.13 0.00 0.04 0.11 -0.05 -0.02 -0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.02 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 0.02 0.01 0.01 0.08 0.00 0.00 0.05 0.00 0.00 -0.00 -0.01 -0.03 -0.17 -0.00 0.00 -0.00 -0.00 -0.01 -0.05 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 0.05 0.15 0.92 0.02 0.04 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 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 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 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.03 0.00 0.01 0.04 -0.00 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.01 0.06 0.01 -0.00 0.00 -0.01 -0.02 -0.16 -0.01 0.00 -0.00 0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.02 0.00 -0.01 -0.02 -0.06 -0.33 0.05 0.13 0.91 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.00 0.03 0.01 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.02 -0.07 -0.00 -0.00 -0.01 -0.03 -0.21 -0.04 0.01 -0.05 0.14 0.02 0.33 0.07 0.01 0.11 0.01 0.00 0.00 -0.06 0.02 0.02 0.03 -0.01 0.01 -0.08 -0.03 -0.27 0.03 0.02 0.14 -0.14 0.00 -0.16 0.00 0.01 0.10 -0.01 -0.00 0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.00 0.09 0.03 0.01 0.04 -0.01 0.01 -0.15 0.02 -0.09 -0.02 0.03 -0.03 0.16 -0.04 0.07 -0.00 -0.00 0.00 -0.02 0.01 0.01 -0.02 0.01 0.01 -0.09 -0.06 -0.07 -0.03 0.06 0.04 0.04 -0.01 0.01 -0.18 -0.01 -0.34 0.12 -0.01 0.10 0.44 -0.03 0.23 0.05 0.01 -0.07 -0.01 0.06 0.14 0.11 -0.03 0.15 -0.16 -0.03 -0.03 -0.09 0.04 0.03 0.05 0.06 0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.04 0.05 -0.01 -0.04 0.05 0.03 0.08 -0.10 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.08 0.24 -0.33 0.08 0.23 -0.31 -0.16 -0.46 0.63 -0.01 0.00 -0.02 -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 0.04 -0.13 -0.09 -0.08 -0.11 -0.10 0.00 -0.00 -0.00 0.03 -0.02 -0.07 -0.00 0.03 0.06 -0.17 0.05 0.13 0.13 -0.04 -0.15 0.00 0.00 -0.00 -0.04 0.01 0.01 -0.02 0.01 0.00 0.04 0.01 0.12 0.05 -0.03 -0.15 0.07 0.00 0.09 0.10 -0.04 -0.12 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 0.23 0.17 0.00 -0.00 0.00 -0.14 0.03 -0.01 -0.00 0.00 -0.00 0.02 -0.07 0.05 -0.00 -0.00 0.00 0.02 0.12 0.09 0.03 0.14 0.11 -0.14 -0.05 -0.07 0.09 -0.07 -0.03 -0.00 0.03 0.02 0.09 0.01 0.16 0.14 -0.06 -0.22 -0.19 0.07 0.14 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.11 0.05 -0.20 -0.08 -0.10 -0.09 0.00 -0.09 -0.07 0.06 0.41 0.34 -0.01 0.00 -0.01 -0.02 0.01 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.04 0.12 0.08 0.07 0.10 0.09 -0.00 0.00 -0.00 0.02 -0.02 -0.11 -0.06 0.01 0.09 -0.17 0.06 0.18 0.19 -0.06 -0.11 0.01 -0.00 -0.00 -0.07 0.01 0.01 -0.02 0.00 0.00 0.04 0.01 0.11 0.04 -0.03 -0.14 0.07 0.00 0.09 0.11 -0.04 -0.11 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.03 -0.17 -0.18 0.01 -0.00 0.00 -0.13 0.02 -0.02 -0.00 0.01 -0.00 0.06 0.05 0.08 -0.01 -0.00 0.00 -0.03 -0.13 -0.08 -0.04 -0.15 -0.11 0.07 -0.01 0.01 -0.10 0.11 0.06 0.01 -0.02 -0.02 0.10 0.00 0.15 0.18 -0.08 -0.24 -0.20 0.07 0.19 0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.19 -0.11 -0.11 -0.03 0.08 0.02 0.05 0.16 0.10 -0.06 -0.40 -0.26 0.00 0.00 0.01 0.00 -0.00 -0.01 0.02 -0.05 0.01 0.06 0.01 0.03 0.05 0.01 -0.07 0.01 0.04 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.03 0.04 -0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.01 0.02 -0.00 -0.00 0.01 0.00 0.03 0.26 -0.10 0.00 -0.01 0.00 0.00 0.08 -0.01 -0.00 -0.02 0.02 0.08 -0.03 -0.01 -0.08 -0.02 -0.01 -0.08 -0.01 0.01 0.08 -0.12 0.01 0.00 -0.11 -0.12 0.02 -0.22 0.37 -0.04 -0.02 0.00 0.00 0.17 -0.06 -0.00 -0.00 0.00 -0.00 -0.14 0.05 0.00 -0.00 -0.00 -0.01 -0.17 -0.09 0.06 -0.01 -0.00 -0.01 -0.00 0.01 0.01 0.01 0.04 0.03 -0.00 -0.04 -0.03 0.02 -0.01 0.00 0.12 0.00 0.16 0.12 -0.05 -0.17 0.03 -0.01 -0.01 0.07 -0.47 0.07 -0.39 -0.04 0.01 0.02 -0.00 0.04 -0.10 0.12 0.07 -0.14 -0.07 -0.09 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.02 -0.01 0.01 0.02 0.01 -0.01 -0.02 -0.04 0.00 -0.04 0.02 -0.01 0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.01 0.00 0.00 -0.01 -0.01 0.00 -0.02 0.03 -0.00 0.06 -0.01 0.01 0.02 -0.01 -0.00 0.02 -0.00 0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.02 -0.01 0.01 0.03 0.02 0.02 0.02 -0.03 -0.02 -0.03 -0.14 -0.11 0.02 0.14 0.11 -0.10 0.02 -0.01 0.01 -0.00 0.01 -0.02 0.01 0.01 -0.01 -0.00 -0.01 0.01 -0.05 0.01 -0.04 -0.00 0.00 -0.07 0.01 -0.07 0.39 -0.46 -0.24 0.53 0.25 0.32 -0.11 0.03 -0.00 0.01 0.00 0.02 0.01 -0.00 -0.02 -0.00 0.01 -0.00 -0.04 -0.01 -0.01 -0.04 -0.01 0.06 -0.00 -0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.11 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.00 -0.01 0.00 0.00 -0.06 -0.01 0.00 -0.02 0.00 0.00 0.12 -0.03 -0.00 -0.00 0.03 0.16 -0.02 -0.02 -0.17 -0.05 -0.03 -0.21 -0.03 0.04 0.21 0.00 -0.01 0.00 0.07 0.07 -0.00 0.03 -0.09 0.01 -0.00 0.00 0.00 0.05 -0.04 0.00 0.01 -0.00 0.00 -0.03 0.06 -0.01 -0.00 -0.00 -0.00 0.13 0.06 -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 0.44 -0.03 0.40 0.39 -0.15 -0.43 0.03 -0.01 -0.00 0.03 -0.15 0.03 -0.16 0.02 0.02 -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 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.03 0.07 0.00 -0.14 0.01 0.01 -0.03 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.06 -0.01 -0.01 0.00 0.00 0.03 -0.00 0.00 0.01 0.01 0.06 -0.00 -0.01 -0.06 -0.02 -0.01 -0.09 -0.01 0.01 0.09 -0.00 0.01 -0.00 -0.07 -0.08 -0.03 0.05 -0.04 0.01 -0.00 0.00 0.00 -0.08 0.10 -0.00 -0.00 0.00 0.00 0.11 -0.09 0.02 -0.00 -0.00 -0.00 -0.13 -0.01 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.21 -0.02 0.17 0.19 -0.07 -0.18 0.02 -0.01 -0.01 0.04 0.63 -0.14 0.43 -0.00 -0.09 0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.14 -0.01 -0.12 0.00 -0.01 -0.07 -0.01 -0.05 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 0.03 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.06 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.03 -0.00 0.01 0.03 0.01 0.01 0.05 0.01 -0.01 -0.05 0.01 -0.02 0.00 0.10 0.09 -0.08 -0.03 0.00 0.00 0.00 -0.00 0.00 0.07 -0.09 0.02 0.00 -0.00 -0.00 -0.10 0.10 0.01 0.00 0.00 0.00 0.22 0.11 0.40 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.12 0.01 -0.09 -0.11 0.04 0.10 -0.01 0.00 0.00 -0.05 -0.64 0.08 -0.44 -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 0.02 -0.00 0.11 -0.04 0.06 0.05 -0.04 -0.04 0.10 -0.26 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.05 0.04 -0.00 0.02 0.16 -0.03 0.00 -0.13 0.02 0.00 -0.00 0.00 0.06 -0.14 0.03 0.00 -0.00 -0.00 0.05 0.02 -0.01 0.00 -0.00 0.00 -0.49 0.59 -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 -0.05 0.01 -0.03 -0.05 0.02 0.03 -0.01 0.00 0.00 0.00 -0.40 0.04 -0.23 -0.07 0.04 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 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 0.01 0.01 -0.00 -0.00 0.00 0.02 0.00 0.04 -0.06 0.03 0.09 0.03 -0.01 -0.05 -0.10 -0.00 -0.17 0.00 -0.00 -0.00 0.05 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.02 -0.02 0.00 -0.02 -0.02 0.01 0.03 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.22 -0.03 0.02 -0.00 0.00 -0.00 0.02 -0.00 0.03 -0.00 -0.00 0.00 0.07 -0.00 0.09 0.00 -0.00 0.00 0.03 0.02 0.02 -0.02 -0.06 -0.04 -0.09 -0.01 -0.03 -0.08 0.03 0.00 0.06 -0.01 0.01 -0.02 0.00 -0.02 -0.08 0.03 0.07 -0.01 -0.01 -0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.43 0.04 -0.43 -0.45 0.25 0.07 -0.40 -0.03 -0.12 0.07 0.03 0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -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 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.04 0.03 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.02 0.01 0.01 -0.01 0.03 0.02 -0.03 0.02 0.01 0.04 0.00 0.01 -0.01 -0.06 -0.05 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.43 0.31 0.13 0.51 0.09 0.20 -0.08 -0.48 -0.38 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 -0.01 -0.05 -0.00 -0.09 0.02 -0.01 -0.05 -0.02 0.02 0.11 -0.13 0.03 0.02 0.00 0.00 -0.00 -0.08 0.01 -0.04 0.01 0.00 0.03 0.02 -0.00 0.00 -0.04 0.01 -0.01 -0.04 0.01 0.03 0.10 -0.03 -0.04 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.05 -0.02 0.01 0.00 0.00 -0.00 0.28 -0.06 -0.05 -0.00 -0.00 0.00 -0.04 0.01 0.02 0.00 0.00 0.00 0.01 0.03 0.02 0.03 0.00 0.00 -0.03 0.00 -0.01 -0.01 0.02 0.01 0.00 -0.01 -0.01 0.46 -0.06 0.23 -0.25 0.07 0.11 -0.54 0.16 0.32 0.01 0.02 -0.00 0.00 0.00 -0.00 0.08 0.00 0.18 -0.08 0.04 0.01 -0.12 0.00 -0.03 -0.01 -0.07 -0.06 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.08 -0.02 -0.01 0.00 0.00 0.02 -0.00 0.00 0.01 0.07 -0.02 -0.02 0.00 0.00 0.00 -0.02 -0.01 0.00 -0.10 0.02 0.03 -0.17 0.04 0.05 0.03 -0.02 -0.06 0.04 -0.01 0.00 -0.06 0.02 0.02 -0.03 0.00 -0.05 0.03 -0.01 -0.00 0.00 0.03 -0.00 0.04 0.03 -0.01 0.03 -0.01 0.00 -0.04 -0.01 0.00 -0.02 0.01 0.02 0.01 0.01 -0.00 -0.02 0.00 -0.02 -0.03 -0.03 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 0.66 -0.09 0.26 0.38 -0.11 -0.20 0.25 -0.07 -0.10 -0.12 -0.32 0.06 0.05 0.02 -0.01 -0.00 0.00 0.00 -0.03 0.01 0.00 -0.06 0.00 -0.01 -0.01 -0.02 -0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.04 -0.03 -0.03 -0.00 0.00 0.01 0.00 0.00 0.02 0.00 -0.00 0.01 -0.00 0.00 0.01 0.01 -0.00 0.02 -0.00 -0.00 0.00 -0.02 0.01 0.01 0.00 -0.01 -0.06 -0.02 0.01 0.03 0.02 -0.00 0.02 0.07 -0.01 0.02 -0.05 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.12 -0.06 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.11 0.02 -0.07 0.00 -0.00 0.00 -0.04 0.04 0.02 0.17 0.02 0.05 -0.04 0.01 -0.00 -0.02 0.07 0.05 -0.03 -0.00 -0.01 -0.34 0.05 -0.14 0.33 -0.09 -0.17 -0.00 0.00 0.01 0.01 0.02 -0.00 -0.00 0.00 0.00 0.27 -0.00 0.22 -0.00 -0.02 -0.01 -0.50 -0.01 -0.13 -0.10 -0.36 -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 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.02 0.02 0.02 0.01 -0.00 0.01 -0.01 -0.00 -0.03 0.01 -0.00 -0.02 0.00 0.01 0.04 -0.05 0.01 -0.00 -0.01 -0.00 0.00 -0.04 0.01 0.01 -0.04 -0.01 -0.10 -0.02 0.01 0.03 0.04 -0.00 0.04 0.09 -0.01 0.04 -0.08 0.02 0.01 0.01 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.02 0.02 0.01 -0.01 -0.00 0.00 0.11 -0.02 -0.02 0.00 0.00 -0.00 0.02 -0.01 0.03 -0.01 -0.01 0.00 0.05 -0.01 0.00 -0.09 -0.02 -0.03 -0.00 -0.01 -0.01 -0.00 -0.03 -0.02 0.02 -0.00 0.00 -0.38 0.05 -0.14 0.65 -0.18 -0.32 -0.13 0.04 0.09 -0.04 -0.10 0.02 0.03 0.01 -0.00 -0.08 -0.00 -0.01 -0.10 0.05 0.02 0.22 0.01 0.06 0.06 0.22 0.18 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 0.02 0.01 0.01 0.01 0.01 0.05 0.01 -0.01 0.00 0.00 0.02 0.01 -0.00 -0.00 0.05 -0.01 -0.01 0.00 0.00 0.02 0.05 0.01 -0.00 -0.08 0.02 0.04 0.01 0.01 0.04 -0.03 0.00 -0.03 0.00 -0.00 -0.02 0.03 -0.00 0.03 0.00 -0.01 -0.06 -0.10 0.01 0.00 0.00 -0.04 0.01 -0.09 -0.07 0.01 0.06 -0.01 0.01 0.07 -0.02 0.00 -0.01 0.00 0.00 -0.02 -0.02 0.00 -0.07 0.00 -0.05 0.07 0.06 -0.01 0.09 -0.03 -0.00 -0.04 0.00 -0.01 -0.02 -0.03 -0.03 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.12 -0.01 0.06 0.07 -0.03 -0.07 0.19 -0.05 -0.07 0.25 0.69 -0.13 -0.26 -0.10 0.03 0.13 -0.02 0.12 -0.25 0.13 0.04 0.05 0.01 0.02 0.02 0.23 0.18 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 0.01 0.00 -0.01 0.00 0.01 0.00 -0.03 0.04 0.03 0.01 0.00 0.00 -0.04 0.00 0.00 0.01 0.00 0.02 0.02 -0.00 -0.01 -0.03 0.00 -0.00 0.04 -0.00 0.03 -0.03 -0.01 0.00 0.04 -0.01 -0.02 0.02 -0.01 -0.00 0.02 -0.00 0.02 -0.01 0.00 -0.01 -0.02 0.00 -0.02 0.03 -0.00 0.03 0.04 -0.02 -0.00 -0.00 0.03 -0.00 0.06 0.03 -0.01 0.09 -0.02 0.01 -0.04 0.01 -0.00 -0.04 0.01 -0.01 0.02 0.02 -0.00 -0.13 0.01 -0.07 -0.05 -0.05 0.01 0.16 -0.09 -0.02 -0.04 0.02 0.00 -0.02 -0.05 -0.04 -0.02 0.01 0.00 -0.04 -0.00 -0.01 -0.06 0.01 -0.03 -0.20 0.06 0.11 -0.05 0.01 0.01 -0.14 -0.41 0.07 0.18 0.07 -0.02 0.31 -0.03 0.24 -0.42 0.22 0.06 0.02 0.02 0.02 0.01 0.37 0.28 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.02 0.01 0.01 0.01 0.01 -0.01 -0.00 0.02 0.00 0.02 -0.05 -0.03 0.03 0.02 0.02 -0.05 0.08 -0.01 -0.00 0.00 0.03 -0.00 -0.00 0.01 0.07 -0.02 -0.02 -0.02 0.01 0.01 -0.09 -0.09 0.02 -0.15 0.06 0.17 0.20 -0.02 0.17 -0.18 0.03 -0.05 0.00 -0.02 -0.12 0.19 -0.04 -0.03 0.02 -0.03 -0.15 -0.13 -0.15 0.03 -0.00 0.10 -0.02 0.08 -0.00 -0.00 0.02 -0.00 0.01 0.01 -0.00 0.00 0.05 -0.01 -0.01 0.10 0.13 -0.02 -0.02 0.00 -0.02 -0.08 -0.11 0.02 -0.05 0.11 0.07 -0.07 -0.07 -0.07 -0.03 0.03 0.01 -0.02 -0.01 -0.01 0.07 -0.02 0.00 -0.17 0.03 -0.04 -0.23 0.04 0.00 0.30 -0.08 -0.12 -0.05 -0.25 0.04 0.46 0.26 -0.06 0.01 -0.02 0.04 0.11 -0.07 -0.02 0.09 0.01 0.03 0.07 -0.05 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.00 0.05 -0.10 -0.06 0.07 0.06 0.06 -0.10 -0.07 0.01 0.01 0.00 0.03 0.02 -0.01 0.00 -0.02 0.00 -0.01 0.04 -0.00 0.04 0.06 0.13 -0.02 0.00 0.00 0.01 0.00 -0.00 0.02 0.02 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.23 0.11 -0.03 0.03 -0.11 0.02 -0.05 0.02 -0.00 0.08 -0.03 0.01 -0.04 0.07 -0.01 -0.04 0.01 -0.01 -0.13 -0.13 0.03 -0.14 0.01 -0.11 0.03 0.08 -0.01 -0.08 0.25 0.16 -0.18 -0.15 -0.17 -0.08 0.05 0.02 -0.07 -0.01 -0.02 0.16 -0.05 0.00 0.01 -0.00 -0.01 -0.04 0.01 0.02 0.06 -0.01 -0.03 -0.11 -0.23 0.04 -0.22 -0.16 0.03 0.39 -0.09 0.33 0.15 -0.10 -0.03 0.21 0.03 0.07 0.18 -0.01 0.03 -0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.03 0.07 0.04 -0.04 -0.04 -0.04 -0.17 -0.08 0.01 -0.01 0.00 0.00 -0.01 0.00 -0.01 0.03 -0.01 -0.01 -0.05 0.01 -0.03 0.05 0.16 -0.03 -0.09 0.05 0.19 0.10 0.00 0.19 -0.15 0.02 -0.08 0.08 -0.03 -0.10 0.16 -0.04 -0.05 -0.06 -0.01 -0.15 0.29 0.10 -0.03 0.04 -0.13 0.02 -0.06 0.03 -0.00 -0.05 0.01 -0.01 -0.04 0.10 -0.01 0.08 -0.02 -0.00 -0.15 -0.13 0.03 0.08 -0.01 0.07 0.02 0.08 -0.01 0.06 -0.17 -0.11 0.12 0.10 0.11 0.05 -0.04 -0.01 0.05 0.01 0.02 -0.11 0.03 -0.00 -0.04 0.01 -0.02 -0.01 -0.01 -0.06 0.15 -0.04 -0.07 -0.17 -0.40 0.07 -0.11 -0.12 0.02 -0.26 0.06 -0.20 -0.12 0.08 0.03 -0.15 -0.02 -0.05 -0.12 0.02 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.03 0.01 0.02 0.02 0.01 -0.02 0.01 0.04 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.03 0.07 -0.01 0.00 0.00 0.01 -0.01 0.00 0.01 0.08 -0.02 -0.01 -0.01 0.00 -0.00 -0.07 0.24 -0.03 -0.11 0.00 -0.11 0.05 -0.05 -0.13 0.04 0.00 0.05 -0.12 0.03 0.05 -0.03 0.03 0.11 0.11 -0.01 0.02 0.10 -0.37 0.05 0.39 0.01 -0.03 -0.21 -0.18 0.04 -0.01 0.01 0.01 0.11 0.23 -0.04 -0.02 0.01 0.01 -0.17 0.05 0.00 0.02 -0.01 0.00 -0.26 -0.19 0.04 -0.01 -0.02 -0.02 0.02 0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.02 -0.00 0.05 0.04 -0.02 -0.05 0.21 -0.05 -0.06 0.04 -0.13 0.02 -0.37 0.01 0.01 -0.11 0.02 -0.08 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 0.03 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.07 -0.02 -0.01 -0.00 0.00 0.00 -0.00 -0.03 0.01 -0.10 0.01 -0.07 0.05 -0.03 -0.10 0.03 -0.00 0.03 -0.09 0.02 0.03 -0.02 0.02 0.10 0.09 -0.02 -0.00 0.07 -0.09 0.01 -0.09 -0.13 0.03 -0.03 0.08 -0.01 0.00 0.02 0.01 -0.01 0.01 -0.00 -0.02 0.01 0.01 -0.05 0.05 -0.01 0.01 -0.01 -0.01 0.10 0.17 -0.03 -0.01 -0.01 -0.01 0.02 -0.01 -0.00 0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.01 0.03 -0.00 0.04 0.06 -0.02 -0.06 0.24 -0.06 -0.07 -0.02 -0.00 0.00 0.79 0.35 -0.09 -0.06 0.01 -0.04 -0.02 0.01 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.03 0.00 0.02 -0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.02 -0.06 0.01 0.00 -0.04 0.01 -0.03 0.01 -0.00 -0.08 -0.29 -0.25 0.01 0.02 -0.00 -0.01 0.00 0.01 -0.02 0.02 -0.00 0.07 0.03 0.03 0.01 0.04 -0.00 0.24 0.09 0.12 -0.20 0.19 0.10 -0.24 0.19 0.08 0.29 0.06 0.12 -0.04 -0.21 -0.17 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.03 -0.00 0.20 0.11 -0.03 -0.13 0.01 -0.12 0.32 -0.22 -0.07 -0.33 -0.06 -0.13 0.02 0.12 0.09 -0.01 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.01 -0.01 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.12 -0.05 0.02 0.00 0.00 0.02 -0.01 0.00 0.02 0.12 -0.03 -0.01 -0.01 0.00 0.00 0.03 -0.02 0.00 -0.19 0.02 -0.09 0.13 -0.03 -0.13 0.02 0.00 0.04 -0.14 0.03 0.03 0.01 0.02 0.15 0.16 -0.04 -0.02 -0.03 0.23 -0.03 -0.05 0.11 -0.01 0.12 -0.02 -0.00 -0.01 -0.02 -0.02 -0.03 -0.06 0.01 -0.02 0.01 0.01 0.08 -0.09 0.01 0.03 -0.00 -0.00 -0.01 -0.10 0.01 0.02 -0.01 0.00 -0.01 0.02 0.02 -0.01 0.01 0.01 0.03 0.00 0.01 -0.01 -0.01 -0.01 -0.02 0.01 0.03 0.02 -0.01 -0.08 0.41 -0.10 -0.13 -0.06 -0.17 0.03 -0.56 -0.33 0.08 -0.13 0.02 -0.09 0.02 -0.02 -0.01 -0.04 -0.01 -0.02 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.01 0.03 0.00 -0.00 -0.01 -0.07 0.01 -0.02 -0.03 0.00 -0.01 -0.05 -0.05 0.01 0.02 0.03 0.20 -0.02 0.01 0.08 0.19 -0.04 -0.03 -0.15 0.02 -0.04 -0.17 0.02 -0.07 0.15 -0.04 -0.04 0.05 -0.01 -0.00 0.08 -0.07 0.01 0.01 0.07 -0.01 -0.01 0.00 0.00 -0.06 -0.03 0.01 0.07 -0.02 -0.04 0.04 0.07 -0.01 0.01 0.00 0.02 -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 -0.46 0.03 -0.39 0.31 -0.12 -0.35 0.19 -0.06 -0.15 -0.01 0.23 -0.04 -0.26 -0.03 0.02 0.03 -0.00 0.03 -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 0.01 -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 0.05 -0.01 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.03 0.01 -0.01 -0.01 0.00 -0.01 0.12 0.10 -0.02 0.01 0.01 0.09 -0.02 0.02 0.04 0.08 -0.02 -0.01 -0.07 0.01 -0.02 -0.07 0.01 -0.04 0.07 -0.02 -0.01 -0.12 0.01 0.00 -0.17 0.16 -0.02 -0.04 -0.17 0.03 -0.00 0.00 0.00 0.15 0.08 -0.02 0.03 -0.01 -0.02 -0.10 -0.17 0.03 0.00 0.00 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.22 0.01 -0.18 0.13 -0.05 -0.15 0.06 -0.02 -0.06 0.03 -0.51 0.08 0.61 0.07 -0.04 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.06 0.02 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.01 0.03 -0.01 0.00 0.01 0.00 0.02 0.04 0.18 -0.03 -0.09 0.02 -0.00 -0.13 0.02 -0.00 0.01 0.01 0.05 0.01 -0.01 -0.05 0.09 -0.03 -0.09 0.10 -0.00 0.10 -0.15 -0.18 0.03 -0.08 -0.16 0.03 0.21 0.04 -0.02 0.01 -0.00 0.00 -0.07 0.05 -0.00 0.02 -0.00 0.01 0.04 -0.02 0.00 -0.01 0.00 -0.01 0.06 0.09 -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 -0.28 0.04 -0.09 -0.30 0.08 0.13 0.03 -0.01 0.00 -0.17 -0.31 0.06 -0.56 -0.24 0.07 -0.13 0.02 -0.09 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 0.01 0.01 0.01 -0.01 -0.03 -0.02 -0.00 0.00 -0.00 0.01 0.00 0.02 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.04 -0.00 -0.03 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 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.19 -0.10 -0.03 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.15 -0.08 -0.09 -0.01 0.19 0.14 -0.02 0.10 0.07 -0.17 -0.05 -0.08 0.10 -0.08 -0.04 0.00 -0.00 -0.00 0.02 -0.01 -0.02 -0.04 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.16 0.00 0.10 0.35 -0.14 -0.02 0.65 0.11 0.24 0.17 0.21 0.20 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.03 -0.02 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.03 -0.02 0.00 0.03 -0.01 0.00 0.00 0.04 -0.01 0.04 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.08 -0.09 -0.09 0.00 -0.00 0.00 0.02 -0.00 0.02 -0.00 0.00 0.00 0.02 0.01 -0.04 -0.00 -0.00 0.00 -0.06 0.15 0.10 0.14 0.00 0.04 0.16 -0.06 -0.00 -0.10 0.06 0.02 -0.05 -0.10 -0.09 -0.02 0.00 -0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 0.01 0.02 -0.00 0.03 0.01 -0.00 -0.29 0.04 -0.21 -0.38 0.35 0.16 0.14 0.13 0.13 0.04 0.48 0.37 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 -0.02 0.03 -0.00 0.02 0.00 0.03 0.00 -0.00 -0.01 -0.05 0.01 -0.00 -0.04 -0.00 -0.05 0.01 0.09 -0.01 0.17 -0.03 0.00 0.22 -0.04 0.01 -0.05 -0.00 -0.07 -0.06 0.02 0.08 -0.11 0.04 0.12 -0.11 0.00 -0.13 -0.11 -0.10 0.02 -0.06 -0.08 0.02 0.11 0.01 -0.01 -0.04 -0.01 -0.01 -0.02 0.05 -0.01 -0.03 0.00 -0.02 0.04 -0.00 -0.00 0.04 -0.00 0.04 0.03 0.04 -0.01 -0.00 0.03 0.02 0.02 -0.01 -0.00 0.03 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.01 0.40 -0.06 0.15 0.43 -0.12 -0.20 -0.07 0.01 0.00 -0.09 -0.22 0.04 -0.31 -0.13 0.04 0.32 -0.04 0.22 -0.07 0.06 0.03 -0.02 0.01 0.00 -0.00 0.06 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 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.00 0.03 0.01 0.08 -0.00 -0.00 -0.03 -0.01 0.00 0.01 -0.12 0.01 -0.12 -0.00 -0.01 0.00 -0.04 0.01 -0.01 -0.07 0.01 -0.03 -0.02 0.01 0.01 0.03 -0.01 -0.03 0.05 -0.01 -0.02 0.03 0.00 0.06 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.06 -0.00 -0.02 0.00 -0.01 0.00 -0.03 -0.00 -0.05 -0.01 -0.00 0.00 0.11 -0.01 0.10 -0.00 -0.00 0.00 -0.01 0.03 0.02 0.03 -0.01 -0.00 0.04 -0.02 -0.00 0.01 0.02 0.02 -0.02 -0.02 -0.02 -0.03 0.01 0.01 -0.16 0.05 0.09 0.22 -0.06 -0.10 0.01 0.03 -0.00 0.04 0.02 -0.00 0.71 -0.08 0.51 -0.09 0.09 0.04 -0.03 0.02 0.01 -0.01 0.10 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 -0.01 0.16 -0.04 -0.04 -0.01 -0.00 -0.03 0.00 0.00 -0.00 -0.08 -0.01 -0.19 0.01 0.04 0.25 0.11 0.00 0.14 -0.08 0.04 0.13 0.03 -0.03 -0.15 -0.03 -0.02 -0.16 0.01 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.02 0.01 0.00 -0.00 -0.01 0.00 -0.12 0.03 0.03 -0.01 -0.00 0.00 0.03 -0.00 0.03 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.02 -0.00 0.00 0.02 0.01 0.01 -0.01 -0.01 -0.01 -0.30 0.05 -0.06 0.25 -0.06 -0.07 -0.63 0.17 0.30 0.00 0.02 -0.01 0.02 0.01 -0.00 0.18 -0.02 0.12 -0.03 0.03 0.02 -0.04 0.00 -0.01 -0.01 0.03 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -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 0.04 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.08 -0.23 0.03 -0.01 0.00 -0.01 -0.00 0.02 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 -0.30 0.31 -0.03 0.31 -0.29 0.03 0.17 -0.16 0.02 0.00 0.00 0.00 -0.06 0.31 -0.04 -0.00 0.00 0.00 -0.23 0.08 0.00 0.00 -0.00 -0.00 -0.05 0.04 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.23 -0.34 0.07 0.29 0.29 -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 -0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 0.01 0.05 -0.03 0.01 0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.06 -0.01 0.01 0.04 -0.01 0.00 0.02 -0.02 0.01 0.03 0.02 -0.01 -0.03 -0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.06 -0.23 -0.19 0.00 0.00 -0.00 0.02 -0.01 -0.01 0.00 0.00 -0.00 0.07 0.00 -0.05 -0.00 -0.00 -0.00 0.14 0.14 0.13 -0.05 0.18 0.12 0.02 -0.18 -0.13 -0.12 -0.16 -0.15 0.07 0.32 0.25 -0.01 0.01 0.03 0.04 -0.01 -0.00 0.18 -0.05 -0.06 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 0.01 0.04 -0.22 -0.03 -0.08 0.25 -0.11 -0.02 -0.06 -0.45 -0.34 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.11 -0.03 -0.05 -0.01 -0.00 -0.02 -0.05 -0.05 0.01 -0.18 0.06 0.12 0.09 -0.03 -0.08 0.19 -0.04 0.01 0.22 -0.07 -0.13 -0.18 0.05 0.09 -0.15 0.03 0.01 0.03 0.01 -0.00 -0.10 -0.06 0.02 -0.08 -0.07 0.01 -0.00 -0.03 -0.02 0.07 0.13 -0.02 -0.05 0.02 0.03 0.14 0.05 -0.02 0.01 0.01 0.04 0.02 0.01 -0.00 -0.01 0.03 0.02 -0.02 0.02 0.01 0.02 -0.03 -0.02 0.01 -0.01 -0.01 -0.00 0.03 0.02 -0.23 0.01 -0.22 -0.28 0.08 0.18 -0.49 0.13 0.20 -0.01 -0.23 0.04 -0.23 -0.09 0.03 0.08 -0.01 0.05 -0.05 0.02 0.00 0.00 -0.02 -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 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.01 0.02 -0.12 0.03 0.07 -0.01 0.00 0.01 -0.05 -0.06 0.01 -0.01 -0.02 -0.16 -0.00 0.01 0.09 0.05 0.00 0.08 0.03 0.00 0.06 0.01 -0.01 -0.06 -0.06 0.00 -0.05 0.04 0.02 -0.01 -0.10 -0.07 0.02 -0.10 -0.07 0.02 0.00 0.03 0.02 0.07 0.14 -0.02 0.09 -0.02 -0.03 0.15 0.06 -0.02 0.00 -0.01 -0.04 0.02 0.01 -0.00 0.01 -0.03 -0.02 0.02 -0.02 -0.01 -0.02 0.03 0.02 -0.01 0.01 0.01 0.01 -0.03 -0.02 -0.07 0.02 0.03 -0.01 0.01 0.08 0.74 -0.19 -0.29 -0.01 -0.24 0.04 -0.24 -0.09 0.03 -0.06 0.01 -0.03 0.05 -0.02 -0.01 0.00 0.02 0.01 0.02 0.03 0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 -0.01 0.07 -0.02 -0.05 0.02 -0.00 0.00 -0.06 -0.08 0.02 0.11 -0.01 0.10 -0.12 0.01 -0.04 -0.18 0.02 -0.09 -0.18 0.04 0.02 0.13 -0.03 -0.01 0.18 -0.03 0.06 0.07 0.05 -0.01 -0.12 -0.08 0.02 -0.13 -0.09 0.02 0.00 -0.01 -0.01 0.09 0.17 -0.03 -0.08 0.02 0.01 0.17 0.07 -0.02 -0.01 0.01 0.02 0.02 0.01 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.20 -0.02 0.10 0.18 -0.07 -0.20 -0.56 0.15 0.22 -0.01 -0.28 0.05 -0.27 -0.10 0.03 0.01 -0.00 -0.01 -0.02 0.01 0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.02 0.04 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 0.01 0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.24 0.07 -0.01 0.00 0.00 -0.00 -0.03 0.01 0.02 0.00 0.00 -0.00 0.03 -0.00 0.03 -0.00 0.00 0.00 0.36 -0.04 0.06 0.36 -0.15 -0.02 -0.32 0.16 0.04 -0.34 0.02 -0.07 0.15 -0.05 -0.00 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.17 0.04 0.07 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.01 -0.00 0.25 -0.27 -0.14 0.29 0.15 0.19 0.18 -0.02 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.04 0.19 -0.09 -0.31 -0.01 0.01 0.02 0.07 -0.02 -0.03 0.00 0.00 -0.00 -0.00 -0.01 -0.05 -0.00 0.00 0.01 -0.00 0.00 0.02 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 -0.06 -0.06 -0.00 -0.00 0.00 -0.06 0.00 -0.04 -0.00 -0.00 0.00 -0.32 0.16 0.50 -0.00 -0.00 0.00 -0.01 0.06 0.05 0.02 0.01 0.02 0.01 -0.03 -0.01 -0.02 -0.01 -0.01 0.00 0.02 0.02 0.00 0.00 0.02 0.00 0.00 0.02 0.35 -0.11 -0.19 0.00 0.00 -0.00 0.00 0.00 0.00 -0.36 0.05 -0.37 -0.06 0.03 0.01 0.02 -0.00 0.01 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.08 -0.04 -0.32 0.02 -0.01 -0.03 -0.01 -0.01 -0.09 -0.03 -0.01 -0.08 -0.00 -0.00 0.00 0.04 -0.00 0.02 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.03 0.01 0.00 0.01 -0.00 -0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.08 0.08 0.60 0.00 0.00 -0.00 -0.03 0.01 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.10 0.01 -0.06 0.02 -0.01 -0.03 0.34 -0.11 -0.24 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.46 -0.05 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 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.02 -0.01 -0.08 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 -0.19 -0.18 -0.18 -0.11 0.23 0.15 0.87 -0.20 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 -0.07 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.52 0.03 0.84 0.00 -0.00 -0.00 0.00 -0.00 0.00 -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 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.08 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 -0.00 -0.09 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.34 0.92 -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 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 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.97 -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 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.04 -0.04 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 0.44 0.44 0.43 -0.22 0.51 0.32 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.03 0.03 0.02 -0.05 -0.03 0.04 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.33 -0.33 -0.32 -0.24 0.56 0.35 -0.41 0.09 -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 0.04 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.42 0.23 0.87 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 -0.03 -0.00 -0.07 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -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 0.40 0.06 0.91 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.04 -0.02 -0.06 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.56 0.27 0.78 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 17 17 17 9 9 9 9 9 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 298.150 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 9 9 9 9 9 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 34.96885 34.96885 34.96885 18.99840 18.99840 18.99840 18.99840 18.99840 15.99491 15.99491 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 538.96297 0.99999 -0.00402 8.2E-4 0.00402 0.99996 0.00803 -8.5E-4 -0.00803 0.99997 asymmetric 1 0.01070 0.00151 0.00147 0.22305 0.03136 0.03071 700757.1 13.29 14.29 15.92 25.08 34.10 40.64 59.44 66.76 105.71 110.81 118.39 132.90 161.82 179.06 203.98 208.54 214.42 239.69 288.43 300.10 315.87 335.86 347.44 349.45 381.72 421.01 431.82 447.86 476.25 495.43 535.67 576.88 598.17 602.53 606.23 634.63 653.69 668.69 709.23 712.04 744.92 755.73 759.67 773.94 817.37 843.31 849.43 865.36 875.98 884.05 886.95 930.48 940.45 990.29 1007.12 1035.42 1055.37 1075.67 1087.66 1105.24 1111.41 1125.71 1158.35 1165.01 1171.06 1211.17 1246.58 1294.30 1299.40 1302.74 1325.05 1340.31 1375.62 1376.05 1422.56 1456.49 1487.16 1550.22 1553.89 1571.65 1587.68 1592.19 1643.03 1645.50 1703.32 1757.42 1775.30 1785.65 1796.91 1822.83 1828.92 1858.52 1869.73 1871.05 1903.55 1913.54 1918.09 1923.07 2051.75 2054.82 2128.04 2139.12 2147.44 2164.80 2179.32 2270.16 2305.94 2324.05 2345.31 2348.12 2360.55 2386.84 2496.07 2568.13 4588.57 4592.46 4592.78 4609.93 4616.96 4623.91 4677.87 4931.24 5199.96 0.266904 0.296617 0.297561 0.198229 -3037.641854 -3037.612141 -3037.611197 -3037.710529 186.130 109.021 209.062 0.000 0.000 0.000 0.889 2.981 44.739 0.889 2.981 38.545 184.352 103.059 125.777 1 0.593 1.987 8.169 2 0.593 1.987 8.025 3 0.593 1.987 7.810 4 0.593 1.986 6.907 5 0.593 1.985 6.297 6 0.593 1.984 5.949 7 0.594 1.981 5.195 8 0.595 1.979 4.965 9 0.599 1.967 4.058 10 0.599 1.964 3.966 11 0.600 1.961 3.836 12 0.602 1.955 3.609 13 0.607 1.939 3.226 14 0.610 1.929 3.030 15 0.615 1.911 2.780 16 0.616 1.908 2.738 17 0.618 1.904 2.685 18 0.624 1.884 2.474 19 0.638 1.839 2.129 20 0.642 1.828 2.056 21 0.647 1.811 1.963 22 0.654 1.790 1.852 23 0.658 1.777 1.792 24 0.659 1.775 1.782 25 0.671 1.737 1.627 26 0.688 1.687 1.459 27 0.693 1.673 1.416 28 0.700 1.652 1.356 29 0.713 1.614 1.255 30 0.723 1.587 1.192 31 0.744 1.529 1.070 32 0.767 1.468 0.959 33 0.779 1.436 0.907 34 0.782 1.429 0.896 35 0.784 1.424 0.887 36 0.801 1.381 0.823 37 0.813 1.351 0.783 38 0.822 1.328 0.752 39 0.849 1.266 0.676 40 0.851 1.261 0.671 41 0.873 1.211 0.615 42 0.880 1.194 0.598 43 0.883 1.188 0.592 44 0.893 1.166 0.570 45 0.924 1.100 0.508 46 0.943 1.061 0.474 47 0.948 1.052 0.466 48 0.960 1.029 0.447 49 0.968 1.013 0.435 50 0.974 1.001 0.425 51 0.976 0.997 0.422 0.662238e-91 -91.178986 -209.947373 0.387567e+32 31.588347 72.734856 0.133081e+16 15.124115 34.824561 0.100000e+01 0.000000 0.000000 0.491804e+09 8.691792 20.013591 0.592161e+08 7.772439 17.896703 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] -8.2314 0.8986 -0.7067 8.3104 -146.7629 -217.8365 -222.8803 -16.6226 2.0018 0.3391 49.0637 -22.0099 -27.0537 -16.6226 2.0018 0.3391 -823.0430 33.5414 -22.3889 -25.9485 44.6111 1.6238 37.7984 9.1979 1.2272 8.3853 -27576.0340 -2939.0709 -2362.8929 -1440.7595 402.2943 116.4197 9.4274 -2.8578 24.0883 -6470.5509 -6389.1018 -893.1724 118.8750 -26.6275 72.0983 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -3037.9087582 3.877E-9 1.056E-5 0.2669043 0.2966169 -3037.6121413 -3037.6111971 -3037.7105291 36.3829696,-16.2192425,-20.1637271,-12.5514146,-1.4947801,-0.1931293 C01 [X(C20H9Cl3F5N3O3)] 3.2393753 -0.3573932 -0.2620403 -0.3085509 -0.0086542 0.3076816 -0.0283526 -0.0269668 0.0468142 0.3563312 0.0149556 -0.5351327 -0.2182685 0.0834095 -0.2381561 0.0914205 -0.0798559 0.1543925 -0.2970803 0.1854778 -0.558747 -0.0947495 0.2245377 0.0400095 0.2161135 -0.6794243 -0.1166849 0.0396553 -0.1156851 -0.0409302 -0.9558103 -0.2225105 0.2715738 -0.1818626 -0.3896717 -0.0141064 0.3072192 0.0142525 -0.5276535 -0.6666023 -0.1824376 -0.3308608 -0.160698 -0.4036042 -0.0135445 -0.4305194 -0.0900477 -0.8507018 -0.4320969 0.067317 -0.0353405 -0.0099131 -0.9990933 -0.0285787 -0.0550218 -0.0390033 -0.2894168 -0.3011204 0.2799569 -0.1185594 0.1750716 -0.8548047 0.4171975 -0.0618009 0.3959549 -0.3413464 -0.6080202 -0.3298271 0.3177561 -0.2516639 -0.5584147 0.3278041 0.298495 0.3582057 -0.4089323 -2.4163611 -0.4580452 -0.2490658 -0.6867872 -0.5349538 -0.1032402 -0.275572 -0.0872498 -0.2631499 -0.953644 0.0548208 0.2470903 0.1729634 -0.4049811 0.1267609 -0.1790578 0.1661185 -1.2493748 -1.1794319 0.2086384 -0.2005359 0.274013 -0.3766874 0.1306787 0.1326253 0.057246 -0.93168 -2.3498265 0.3693576 -0.2420155 0.5600265 -0.3573283 0.1341852 -0.6094202 0.1628178 -0.6417918 -2.1443603 0.2232388 0.6550822 0.174335 -0.2873527 -0.0591364 0.9783257 -0.1035945 -0.9177582 -0.6794254 0.0593655 -0.020529 -0.6391811 -0.573898 -0.120974 -0.1547013 -0.0704618 -0.214007 1.8014028 -0.2988339 0.1450246 -0.3212789 0.1554459 -0.045027 -0.036838 -0.011821 0.1829603 1.3811164 0.1471238 0.1418026 -0.1658325 0.0324453 0.0619913 0.0851104 0.0778697 -0.305461 -0.5778074 0.0555234 0.0485514 0.0213975 -0.1054896 0.0171894 0.2352459 -0.0373358 -0.2312855 -0.4816351 0.0541066 -0.0761994 0.1118547 -0.1505112 0.0261278 -0.2859116 0.085586 -0.2152325 0.4639398 -0.0772297 -0.3901371 0.0192657 0.0038003 -0.1286062 -0.5338775 -0.0244784 0.8541862 0.3363767 -0.1733565 0.2459867 -0.162567 0.08141 -0.2096436 0.4297878 -0.3210871 0.8794972 1.908658 0.6850931 0.2491359 1.3284438 0.5361359 0.148154 0.3638622 0.0983922 0.2849786 -0.3883386 0.0236939 -0.0045839 -0.336977 -0.4294011 -0.0737512 -0.0295501 -0.0188279 -0.1546743 -0.4871643 -0.6320152 -0.1561095 -0.4935703 0.9636393 0.1660489 -0.1293124 0.1570277 -0.0153855 -0.7485859 0.1117551 0.0786667 0.1395166 -0.2315068 0.0887596 0.1059226 0.0976143 -0.1634262 0.1366543 0.0019417 0.0090937 0.3008153 0.1103439 0.0430408 0.0539712 0.0185715 -0.0170427 3.0273957 -0.3813367 -0.4461171 -0.7752445 0.5041195 -0.1853207 0.8063072 -0.3569311 1.7170679 0.4756615 -0.0723318 0.0106158 0.2594021 0.2711274 0.0649467 0.0780061 0.0385695 0.0401434 2.130877 -0.3564268 -0.1516733 -0.3132199 0.3523121 -0.1504238 -0.9167884 0.047983 1.5321911 2.1435541 0.4714646 0.125452 0.5805251 1.9129682 0.0927271 0.1947561 0.1225339 1.6836017 0.6008085 -0.385639 0.130753 -0.0645581 0.936232 -0.4799145 -0.1950062 -0.4066569 0.4086331 0.883703 0.310717 -0.366397 0.0417168 0.6424936 -0.3389177 -0.0756845 -0.4595888 0.400427 -0.2535492 0.2707592 -0.1475267 0.0641453 -0.1962503 0.0206203 0.001747 -0.0208643 -0.1167648 -0.4068625 -0.1607537 0.162445 0.0080833 -0.0791499 -0.038464 0.0558051 0.0100483 -0.1516675 0.1111676 -0.0113119 -0.0423983 0.0199947 0.1498412 -0.1736035 -0.0709064 -0.1711652 0.0182653 0.200692 -0.0139522 -0.0013566 -0.0138696 0.1420624 0.0127886 0.0204095 0.0117954 0.0915474 0.0372899 0.0008393 0.0417159 0.00917 0.1353717 0.0111735 0.0647409 0.0078353 0.0397632 0.6069193 -0.046568 -0.1153549 -0.0064284 0.2320819 0.0309441 -0.3358303 0.065531 0.2156334 0.0432262 0.0253259 -0.0016466 0.0219422 0.1025372 -0.0027043 0.0000323 -0.0021644 0.1239774 0.0863488 0.0366663 0.0059036 -0.015065 -0.0002525 -0.0233787 -0.005326 -0.018376 0.1020014 0.199048 0.0046061 0.0399194 -0.0055223 0.247576 0.0289105 0.0118576 0.0093615 0.2214079 0.0469675 -0.0194787 0.0378094 -0.0139148 0.0654855 0.0649759 0.0405336 0.0602793 0.1113261 0.0633665 0.0279417 0.0050014 0.024196 0.049038 0.0686612 -0.0001163 0.0686301 0.1152277 -0.0329624 0.0325087 0.017493 0.0320943 0.093131 0.0211272 0.0175742 0.0226816 0.118726 459.1660098|-22.8888281|251.5249169|-4.9792883|-19.6533346|258.4266537 0.000006849 0.000001898 -0.000005859 0.000003161 -0.000002646 0.000005394 0.000004149 -0.000011388 -0.000003135 0.000006952 -0.000002602 -0.000002731 0.000016129 -0.000007619 0.000034608 0.000004899 -0.000017786 0.000002434 0.000008552 -0.000015619 0.000007111 0.000016860 0.000010597 -0.000010612 -0.000016572 0.000008218 -0.000005934 0.000009683 0.000002933 -0.000012509 0.000014403 -0.000002720 0.000024055 0.000005524 -0.000000721 0.000005316 -0.000030990 -0.000019919 0.000005320 -0.000010805 0.000004005 -0.000000702 -0.000000733 -0.000006836 0.000006580 0.000028325 -0.000005158 0.000011928 -0.000004215 0.000002063 0.000008304 -0.000008017 0.000002387 -0.000012193 -0.000009199 0.000003650 -0.000017771 0.000001024 -0.000001535 0.000003866 -0.000003906 0.000002149 0.000006725 -0.000004202 -0.000027257 -0.000004396 0.000004144 -0.000007347 -0.000004336 -0.000006489 0.000006663 0.000001924 -0.000001437 0.000017214 0.000002792 0.000027913 0.000008443 -0.000006292 -0.000009789 0.000005932 -0.000002134 -0.000009151 -0.000001218 -0.000018680 -0.000017769 0.000037792 -0.000026694 -0.000000023 0.000010477 -0.000009245 -0.000015485 -0.000012983 0.000012790 -0.000003565 0.000002812 -0.000001406 0.000001767 0.000003967 -0.000000083 -0.000009411 -0.000001957 0.000001415 -0.000005904 0.000003418 -0.000006163 0.000000196 -0.000001337 0.000003599 -0.000003383 0.000002453 0.000005887 0.000002887 -0.000001567 -0.000000580 0.000002747 0.000001840 0.000002424 0.000000944 0.000010508 -0.000002850 0.000002078 -0.000003766 0.000001617 0.000001659 0.000001835 -0.000000717 0.000000202 0.000000726 0.000000932 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9037,.7181,2.9685;-1.5394,1.7468,-2.339;-5.6225,2.6781,.3533;-7.7633,-2.2765,.1436;-7.2666,-2.1488,-1.9656;-6.208,-3.5569,-.6885;7.225,1.4459,-1.5774;6.5434,-2.3701,1.1221;-2.8907,1.59,.3065;3.0437,-.1958,2.541;4.7403,.2003,-1.23;2.5591,.3707,.3558;4.729,-.217,1.0201;-3.4256,-.6089,-.1554;1.1806,.6412,.407;-1.5589,1.2246,.3274;.4172,.5538,1.5759;.5726,1.0153,-.7987;-.9403,.8453,1.5167;-.7832,1.3004,-.8291;-3.8156,.63,.0616;-5.7073,-1.2576,-.4251;-5.169,1.0242,.0544;6.7973,-.4538,-.2385;-6.1232,.059,-.1948;3.3646,-.0173,1.3836;-4.3501,-1.5437,-.3966;5.3314,-.1306,-.2141;-6.7285,-2.3131,-.7304;7.6857,.3387,-.9767;7.3557,-1.5688,.3921;9.0358,.0481,-1.0854;8.6941,-1.9069,.3002;9.5338,-1.0847,-.447;.87,.2628,2.5097;1.1502,1.0826,-1.7121;3.0264,.4598,-.5459;-7.1729,.3234,-.2041;-3.988,-2.5504,-.5668;5.2764,-.533,1.8088;9.67,.7086,-1.6616;9.0525,-2.7945,.804;10.586,-1.3276,-.5298; Gaussian 16 24-Aug-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C20H9Cl3F5N3O3)] 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 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9037,.7181,2.9685;-1.5394,1.7468,-2.339;-5.6225,2.6781,.3533;-7.7633,-2.2765,.1436;-7.2666,-2.1488,-1.9656;-6.208,-3.5569,-.6885;7.225,1.4459,-1.5774;6.5434,-2.3701,1.1221;-2.8907,1.59,.3065;3.0437,-.1958,2.541;4.7403,.2003,-1.23;2.5591,.3707,.3558;4.729,-.217,1.0201;-3.4256,-.6089,-.1554;1.1806,.6412,.407;-1.5589,1.2246,.3274;.4172,.5538,1.5759;.5726,1.0153,-.7987;-.9403,.8453,1.5167;-.7832,1.3004,-.8291;-3.8156,.63,.0616;-5.7073,-1.2576,-.4251;-5.169,1.0242,.0544;6.7973,-.4538,-.2385;-6.1232,.059,-.1948;3.3646,-.0173,1.3836;-4.3501,-1.5437,-.3966;5.3314,-.1306,-.2141;-6.7285,-2.3131,-.7304;7.6857,.3387,-.9767;7.3557,-1.5688,.3921;9.0358,.0481,-1.0854;8.6941,-1.9069,.3002;9.5338,-1.0847,-.447;.87,.2628,2.5097;1.1502,1.0826,-1.7121;3.0264,.4598,-.5459;-7.1729,.3234,-.2041;-3.988,-2.5504,-.5668;5.2764,-.533,1.8088;9.67,.7086,-1.6616;9.0525,-2.7945,.804;10.586,-1.3276,-.5298; 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 Chlorfluazuron CONF4 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 19 19 19 19 19 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 1 1 1 1 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 860 A 826 A 826 1347 860 135 135 3841.5317545602 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 -0.0500048577 0.000000 5.418478 0.000000 4.950798 4.978694 0.000000 7.161124 7.815815 5.401311 0.000000 7.830979 6.936574 5.601643 2.170644 0.000000 7.083452 7.255971 6.348421 2.179627 2.175862 0.000000 10.223890 8.802580 13.050095 15.539212 14.935848 14.361883 0.000000 9.181479 9.708755 13.194132 14.340410 14.152700 12.933849 4.723779 0.000000 2.969896 2.974817 2.940871 6.222325 6.187785 6.203547 10.290712 10.264052 0.000000 5.049185 6.970780 9.388703 11.263481 11.420333 10.359469 6.094242 4.357632 6.587774 0.000000 7.876441 6.561700 10.771925 12.820317 12.256608 11.587674 2.801097 3.923119 7.907290 4.154032 0.000000 5.182983 5.094419 8.500766 10.658495 10.405782 9.663200 5.163741 4.896307 5.584798 2.308819 2.702138 0.000000 6.975900 7.377823 10.769394 12.691175 12.511574 11.562471 3.967657 2.817505 7.863504 2.270221 2.288511 2.344152 0.000000 3.719616 3.724948 3.986126 4.656777 4.516764 4.088567 10.939848 10.203690 2.309632 7.020847 8.275969 6.085841 8.248190 0.000000 4.009987 4.020040 7.101678 9.411420 9.206942 8.568244 6.412518 6.191892 4.181620 2.953913 3.942817 1.405747 3.701843 4.805832 0.000000 2.711218 2.717096 4.315841 7.126394 7.015346 6.745980 8.990780 8.899465 1.381239 5.301010 6.569205 4.205677 6.488087 2.660696 2.802016 0.000000 2.711573 4.536294 6.518087 8.773934 8.881818 8.118993 7.555519 6.803371 3.691536 2.896813 5.166026 2.471857 4.415289 4.372235 1.398899 2.431798 0.000000 4.517902 2.714371 6.516934 9.011638 8.533768 8.178789 6.711732 7.127554 3.680499 4.327404 4.268562 2.386379 4.701336 4.363150 1.401154 2.419660 2.424029 0.000000 1.746910 4.004769 5.160959 7.627761 7.817411 7.210373 8.752589 8.154821 2.413131 4.243254 6.342769 3.717424 5.789352 3.329717 2.402423 1.393200 1.389740 2.771089 0.000000 4.001957 1.746676 5.168604 7.903197 7.431145 7.282868 8.044481 8.423751 2.411431 5.314209 5.646292 3.665999 6.008872 3.328831 2.412237 1.394534 2.789702 1.385764 2.394704 0.000000 3.480364 3.491630 2.746715 4.902876 4.872403 4.880158 11.191431 10.836747 1.355325 7.340220 8.663546 6.386778 8.639822 1.316841 5.008147 2.348840 4.496186 4.488278 3.229685 3.230794 0.000000 5.466917 5.482835 4.012770 2.363965 2.366130 2.367857 13.262099 12.398097 4.071494 9.300800 10.579549 8.461389 10.587181 2.387449 7.193155 4.892558 6.692923 6.689007 5.560290 5.563551 2.716339 0.000000 4.387253 4.407319 1.740782 4.199105 4.306700 4.755773 12.508101 12.241007 2.360971 8.667149 10.026115 7.761548 10.022154 2.397996 6.370900 3.625982 5.808795 5.804581 4.477956 4.482365 1.409636 2.392936 0.000000 9.346954 8.874404 12.822281 14.679199 14.270569 13.377937 2.363122 2.363932 9.916275 4.677815 2.375339 4.358366 2.432703 10.224436 5.758759 8.541842 6.709206 6.420270 8.039898 7.803253 10.672359 12.531867 12.060809 0.000000 5.314635 5.334595 2.722290 2.873758 3.052356 3.650353 13.491146 12.964509 3.611689 9.569807 10.913657 8.705349 10.923493 2.779339 7.351659 4.739689 6.793936 6.790627 5.514517 5.518941 2.391001 1.399724 1.379965 12.930786 0.000000 5.550397 6.404578 9.438972 11.422341 11.348195 10.414192 5.080546 3.963484 6.547693 1.214170 2.961659 1.362264 1.426098 6.987478 2.481390 5.186341 3.008339 3.691098 4.392492 4.882279 7.329513 9.333233 8.699048 3.821747 9.618492 0.000000 4.735426 4.743503 4.472675 3.532477 3.366552 2.754926 12.013164 11.029876 3.527626 8.069310 9.293642 7.208885 9.284234 1.336715 6.000690 3.997319 5.569346 5.562640 4.581968 4.582401 2.284895 1.387374 2.732789 11.201699 2.398591 8.063197 0.000000 7.949607 7.432884 11.322528 13.274175 12.878295 12.046656 2.815965 2.875727 8.416395 3.581714 1.221071 2.874353 1.376098 8.770281 4.267435 7.043162 5.274707 4.929697 6.579024 6.309928 9.182769 11.098164 10.567161 1.501281 11.456241 2.536598 9.785822 0.000000 6.793262 6.782139 5.225796 1.354974 1.357260 1.348997 14.475806 13.400721 5.571122 10.520456 11.751615 9.728412 11.778455 3.760866 8.519120 6.352871 8.037372 8.024240 6.966166 6.957936 4.215914 1.500017 3.766321 13.661889 2.505930 10.564555 2.521936 12.266702 0.000000 10.376191 9.430858 13.577581 15.708789 15.190043 14.432389 1.341228 3.612193 10.727261 5.848809 2.959544 5.297066 3.610860 11.181875 6.657546 9.378067 7.706744 7.147510 8.993508 8.524678 11.551805 13.499157 12.914227 1.400821 13.833904 4.936659 12.195969 2.518842 14.658220 0.000000 9.879486 9.878001 13.655475 15.137587 14.822517 13.751146 3.603386 1.354593 10.722648 5.009645 3.549844 5.174006 3.020152 10.837815 6.558710 9.342224 7.351878 7.355757 8.713055 8.715859 11.390479 13.092313 12.794786 1.397405 13.589560 4.395413 11.732399 2.556089 14.148497 2.370910 0.000000 11.685635 10.783800 14.961657 17.003557 16.473219 15.669212 2.339800 4.114931 12.106034 7.008216 4.300570 6.642892 4.801192 12.513264 8.017634 10.752958 9.034265 8.523119 10.340657 9.901846 12.915575 14.815524 14.283797 2.445334 15.185113 6.185700 13.497757 3.809594 15.944064 1.385219 2.760396 0.000000 11.239395 11.182080 15.032983 16.462288 16.122540 15.025724 4.113937 2.348580 12.101117 6.314798 4.734366 6.544361 4.369909 12.197544 7.934568 10.720571 8.728696 8.700959 10.093435 10.068865 12.766615 14.434337 14.171730 2.449384 14.955377 5.757487 13.067873 3.837603 15.462375 2.773075 1.383497 2.420389 0.000000 12.071970 11.585042 15.636940 17.348156 16.902428 15.936559 3.607297 3.613435 12.731531 7.200025 5.024173 7.170038 5.098202 12.971442 8.572328 11.356966 9.481041 9.210787 10.830034 10.596074 13.468741 15.242175 14.861774 2.816039 15.700794 6.523080 13.891610 4.315635 16.311132 2.392149 2.383801 1.392469 1.392548 0.000000 2.848004 5.614024 7.255108 9.304824 9.594171 8.655413 7.647903 6.406657 4.556161 2.221728 5.382286 2.739362 4.164262 5.129810 2.158996 3.403973 1.077811 3.405916 2.145381 3.867463 5.299353 7.361131 6.563398 6.572618 7.500763 2.751236 6.241773 5.241993 8.652809 7.656049 7.064248 8.924704 8.414661 9.253102 0.000000 5.600574 2.840378 7.258115 9.704448 9.019301 8.758697 6.087217 7.002955 4.545452 4.827848 3.728276 2.601562 4.686339 5.120751 2.164745 3.393887 3.409981 1.082814 3.853816 2.136633 5.292442 7.359240 6.561677 6.035094 7.500138 3.961940 6.235479 4.604224 8.635275 6.618750 7.068709 7.977812 8.360474 8.751219 4.309785 0.000000 6.059928 5.071268 8.973988 11.152511 10.712836 10.071079 4.434559 4.812487 6.084089 3.155718 1.863605 1.019440 2.410210 6.551516 2.085114 4.729899 3.364324 2.528598 4.487517 3.911518 6.871017 8.901779 8.236685 3.892184 9.165090 2.016181 7.645167 2.402485 10.142997 4.680808 4.872181 6.047581 6.200010 6.688971 3.745036 2.295251 0.000000 6.163211 6.190367 2.873786 2.688648 3.037027 4.027713 14.506779 14.041058 4.494634 10.591640 11.957944 9.748209 11.976880 3.861845 8.381838 5.710675 7.799423 7.798995 6.486764 6.494059 3.381702 2.167089 2.138563 13.991869 1.082524 10.661846 3.389914 12.512582 2.724993 14.878722 14.663458 16.234932 16.030941 16.767734 8.488618 8.492584 10.205908 0.000000 5.246446 5.253819 5.554705 3.851254 3.587050 2.440491 11.946732 10.667520 4.371407 8.040304 9.175498 7.228302 9.162362 2.062759 6.152159 4.577178 5.799407 5.793695 5.015940 5.016741 3.246461 2.155811 3.815510 10.992138 3.392063 8.017540 1.083252 9.634925 2.755618 12.032941 11.426443 13.290584 12.728022 13.601575 6.401506 6.396204 7.633023 4.305095 0.000000 7.379919 8.297960 11.454921 13.260628 13.197805 12.135480 4.379482 2.334920 8.571202 2.373750 3.171719 3.211140 1.010743 8.921211 4.485466 7.211395 4.984671 5.596633 6.374362 6.858469 9.331104 11.231969 10.705546 2.551697 11.589458 2.025271 9.927442 2.063320 12.398920 3.784736 2.720961 4.779877 3.980530 4.849653 4.532170 5.659737 3.404797 12.639988 9.774551 0.000000 12.465478 11.277703 15.549901 17.778863 17.178605 16.469694 2.555111 5.196472 12.744512 7.898613 4.974581 7.399256 5.697528 13.247606 8.738054 11.415337 9.804088 9.143430 11.077012 10.503026 13.595501 15.551770 14.941222 3.410080 15.874482 7.039832 14.256101 4.650018 16.700560 2.131479 3.841893 1.081932 3.411966 2.170246 9.748782 8.528186 6.741262 16.910236 14.084067 5.734958 0.000000 11.707307 11.945293 15.668700 16.836683 16.565013 15.352201 5.195413 2.564515 12.732323 6.773199 5.630395 7.237636 5.038138 12.704337 8.598190 11.356997 9.293841 9.433620 10.658932 10.778539 13.336675 14.890454 14.744337 3.413486 15.473921 6.356213 13.514265 4.688214 15.862733 3.854424 2.133345 3.413339 1.081813 2.172605 8.899980 9.154782 6.980460 16.552979 13.114625 4.514767 4.328153 0.000000 13.130679 12.639208 16.719470 18.386097 17.929018 16.942000 4.481740 4.489764 13.814264 8.221750 6.082495 8.252223 6.159533 14.034998 9.654805 12.439694 10.553585 10.287401 11.906557 11.672842 14.546076 16.293817 15.940259 3.899028 16.769981 7.584666 14.938241 5.398401 17.343677 3.374606 3.367877 2.145816 2.145559 1.082992 10.303802 9.810291 7.768061 17.838443 14.625250 5.855989 2.503259 2.506511 0.000000 C20H9Cl3F5N3O3 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 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9603,-.853,2.9168;1.6535,-1.6406,-2.4353;5.7148,-2.6741,.2527;7.8316,2.295,.2901;7.3564,2.2612,-1.8276;6.2779,3.6046,-.4984;-7.1194,-1.4165,-1.7488;-6.4842,2.2759,1.1282;2.978,-1.598,.2281;-2.9873,.0559,2.4817;-4.6448,-.1761,-1.3203;-2.4784,-.4081,.278;-4.6577,.1383,.9465;3.5059,.6221,-.128;-1.099,-.6742,.3307;1.6441,-1.2403,.2521;-.3476,-.6365,1.51;-.4772,-.9901,-.8846;1.012,-.9185,1.4512;.8803,-1.267,-.9143;3.9002,-.6235,.0364;5.7868,1.2933,-.3449;5.2556,-1.0105,.0248;-6.7148,.4223,-.3207;6.2072,-.0303,-.1707;-3.2959,-.0712,1.3143;4.4278,1.5714,-.3171;-5.2475,.1054,-.2963;6.8053,2.3665,-.5917;-7.5918,-.34,-1.1031;-7.2852,1.5048,.3544;-8.9421,-.0511,-1.212;-8.6243,1.8403,.2645;-9.4524,1.0491,-.5277;-.8111,-.3905,2.4515;-1.0455,-1.0185,-1.8059;-2.9363,-.4583,-.6314;7.2583,-.2891,-.1814;4.0622,2.583,-.4449;-5.2144,.4155,1.7433;-9.5673,-.6877,-1.824;-8.9922,2.7024,.8046;-10.5049,1.2905,-.6099; 0.2230509 0.0313645 0.0307054 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= 826 RedAO= T EigKep= 1.30D-06 NBF= 826 NBsUse= 822 1.00D-06 EigRej= 8.65D-07 NBFU= 822 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= 770 770 770 770 770 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -3037.90875823417 -3037.90875823 1 3.028876587216e+03 -1.485370959431e+04 4.945442499155e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323125985 LenY= 11322385525 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. PT299.400S 2024-08-24T05:22:31.000 -101.57441 -101.57045 -101.56662 -24.73453 -24.72799 -24.72413 -24.72403 -24.72159 -19.20109 -19.14724 -19.12423 -14.39302 -14.37875 -14.34585 -10.44611 -10.34192 -10.33819 -10.31323 -10.31095 -10.31001 -10.26965 -10.26871 -10.26299 -10.26073 -10.25723 -10.24733 -10.24279 -10.23297 -10.23239 -10.22826 -10.22261 -10.22083 -10.20833 -10.20054 -9.48884 -9.48507 -9.48126 -7.25381 -7.24991 -7.24609 -7.24359 -7.24301 -7.23980 -7.23936 -7.23603 -7.23551 -1.33091 -1.27495 -1.26763 -1.24541 -1.23935 -1.13364 -1.10887 -1.08565 -0.98790 -0.98214 -0.96304 -0.92082 -0.91699 -0.90299 -0.89174 -0.85231 -0.84249 -0.82154 -0.79938 -0.79851 -0.77453 -0.75826 -0.73623 -0.71852 -0.69572 -0.67529 -0.67028 -0.66387 -0.65663 -0.64280 -0.61619 -0.61010 -0.60887 -0.60663 -0.59382 -0.59142 -0.58576 -0.57422 -0.56214 -0.55478 -0.54015 -0.53435 -0.52250 -0.51968 -0.51055 -0.50366 -0.49448 -0.49234 -0.48809 -0.48654 -0.48141 -0.47899 -0.47638 -0.47471 -0.47045 -0.46675 -0.46272 -0.45476 -0.44861 -0.44772 -0.44713 -0.44335 -0.43520 -0.43048 -0.42722 -0.42163 -0.41538 -0.41197 -0.40994 -0.40687 -0.39903 -0.38075 -0.37833 -0.37419 -0.36859 -0.34070 -0.33612 -0.32878 -0.32550 -0.32057 -0.31256 -0.31194 -0.30687 -0.30460 -0.30330 -0.29233 -0.27067 -0.26623 -0.24980 -0.08926 -0.06693 -0.05369 -0.05084 -0.04626 -0.04288 -0.01875 -0.01763 -0.01572 -0.01140 -0.00163 0.00231 0.01064 0.01259 0.01744 0.02139 0.02422 0.02875 0.03156 0.03448 0.03592 0.03909 0.04269 0.04468 0.04673 0.04911 0.05154 0.05700 0.06019 0.06323 0.06753 0.06871 0.07559 0.07699 0.07849 0.08410 0.08527 0.08691 0.08948 0.09190 0.09326 0.09408 0.09610 0.09689 0.10086 0.10466 0.10608 0.11092 0.11152 0.11491 0.11736 0.11982 0.12274 0.12547 0.12735 0.13033 0.13318 0.13587 0.13646 0.13722 0.13863 0.14183 0.14540 0.14984 0.15235 0.15408 0.15588 0.15781 0.15961 0.16158 0.16417 0.16611 0.16814 0.17106 0.17241 0.17472 0.17680 0.17844 0.18061 0.18296 0.18349 0.18531 0.18662 0.18875 0.19047 0.19482 0.19490 0.20012 0.20181 0.20279 0.20552 0.20783 0.21099 0.21238 0.21365 0.21502 0.21866 0.22062 0.22664 0.22729 0.23157 0.23272 0.23639 0.23800 0.24079 0.24223 0.24420 0.24604 0.24843 0.25212 0.25408 0.25665 0.25735 0.25879 0.26096 0.26614 0.26681 0.26940 0.27275 0.27613 0.27863 0.28091 0.28264 0.28603 0.28989 0.29036 0.29477 0.29656 0.29862 0.30171 0.30343 0.30672 0.31044 0.31509 0.31632 0.32073 0.32150 0.32405 0.32638 0.32902 0.33475 0.33742 0.34290 0.34364 0.34425 0.34589 0.34795 0.34907 0.35270 0.35571 0.35837 0.36013 0.36143 0.36350 0.36842 0.37194 0.37425 0.37771 0.38069 0.38240 0.38486 0.38911 0.39691 0.40581 0.40777 0.41371 0.41646 0.41820 0.42606 0.42669 0.43339 0.43497 0.43787 0.44513 0.45098 0.45906 0.46079 0.46657 0.47162 0.47491 0.47604 0.47669 0.48135 0.48469 0.49053 0.49197 0.49240 0.50173 0.50659 0.50935 0.50975 0.51337 0.51867 0.52324 0.53211 0.53935 0.54280 0.54733 0.54969 0.56254 0.56970 0.56983 0.57281 0.57744 0.58123 0.58367 0.58742 0.59490 0.59813 0.60192 0.60907 0.60992 0.61129 0.61666 0.62219 0.62513 0.62740 0.63566 0.64370 0.64692 0.64871 0.65449 0.66255 0.66379 0.66502 0.67525 0.67726 0.68153 0.68287 0.68620 0.68812 0.69245 0.69427 0.70083 0.70608 0.71273 0.71446 0.72158 0.72748 0.72893 0.73254 0.73439 0.73808 0.74591 0.75661 0.77183 0.77579 0.78834 0.79494 0.80338 0.80614 0.81796 0.81822 0.82417 0.83066 0.83582 0.83993 0.84423 0.84526 0.84736 0.85102 0.85435 0.85871 0.86801 0.86953 0.87088 0.87935 0.88228 0.88698 0.89453 0.89827 0.90461 0.90727 0.91074 0.91643 0.91850 0.92209 0.92472 0.93663 0.94731 0.95164 0.95699 0.96758 0.96910 0.97414 0.97711 0.98198 0.98407 0.98892 0.99424 0.99858 1.00549 1.01355 1.01476 1.01647 1.02272 1.02452 1.03258 1.04397 1.05115 1.05538 1.06087 1.06824 1.07145 1.07833 1.08342 1.08581 1.09665 1.10826 1.11328 1.12618 1.13503 1.14871 1.15433 1.16176 1.16499 1.17140 1.17383 1.17719 1.19736 1.20253 1.20685 1.21157 1.21508 1.22943 1.22981 1.24007 1.24246 1.25583 1.26315 1.27026 1.27780 1.28159 1.28712 1.29260 1.30699 1.31186 1.32092 1.32906 1.34635 1.36333 1.37045 1.37301 1.39612 1.39841 1.40082 1.41074 1.41189 1.41867 1.42022 1.42488 1.42636 1.43280 1.44357 1.45170 1.45475 1.46101 1.46920 1.47232 1.48111 1.49116 1.49772 1.49900 1.50566 1.51584 1.51670 1.52389 1.52857 1.52947 1.53824 1.54651 1.55011 1.55687 1.55978 1.56754 1.57315 1.58110 1.58776 1.60058 1.60249 1.61211 1.61638 1.62270 1.62689 1.64317 1.64934 1.65355 1.65713 1.67439 1.67533 1.68298 1.69494 1.70662 1.71112 1.72298 1.73714 1.75477 1.76034 1.76498 1.77295 1.78406 1.80523 1.80928 1.81301 1.82143 1.84128 1.85182 1.85686 1.85779 1.86090 1.87225 1.87610 1.88406 1.89511 1.89820 1.90076 1.91584 1.91908 1.92561 1.93060 1.93401 1.94213 1.94407 1.96062 1.96314 1.96721 1.96844 1.97481 1.99864 2.01237 2.01345 2.02053 2.04423 2.04826 2.05584 2.05876 2.07264 2.09674 2.10906 2.12076 2.12648 2.12820 2.13920 2.14242 2.18172 2.18798 2.19500 2.20217 2.20885 2.22720 2.24480 2.24859 2.27397 2.27973 2.28272 2.28546 2.29172 2.29355 2.30192 2.30748 2.33521 2.34047 2.34332 2.35317 2.36213 2.40815 2.41393 2.41779 2.43193 2.44218 2.46447 2.47786 2.49251 2.50336 2.51851 2.53868 2.54653 2.55828 2.56823 2.57891 2.59029 2.60238 2.61236 2.64043 2.65481 2.66151 2.67012 2.68381 2.68867 2.69175 2.70021 2.71329 2.72157 2.72442 2.72498 2.72777 2.73826 2.73970 2.75063 2.75743 2.75875 2.76006 2.76076 2.77986 2.79558 2.79938 2.80409 2.81938 2.82799 2.84072 2.85493 2.86145 2.88274 2.88641 2.88989 2.90260 2.90673 2.91791 2.92357 2.93332 2.93508 2.94145 2.96933 2.98338 3.02369 3.03583 3.04069 3.05245 3.07065 3.08886 3.09935 3.10450 3.10755 3.12069 3.13760 3.15252 3.16361 3.18957 3.19584 3.20232 3.21950 3.22653 3.25640 3.30339 3.31289 3.33605 3.33941 3.34534 3.34964 3.35823 3.36303 3.38367 3.40797 3.45196 3.46990 3.48871 3.49954 3.53394 3.56277 3.58923 3.59776 3.62077 3.65932 3.68997 3.69984 3.70360 3.72530 3.73660 3.73943 3.74468 3.75755 3.76138 3.76318 3.76675 3.76713 3.77330 3.79512 3.84161 3.84779 3.88529 3.89610 3.90241 3.90686 3.92529 3.93229 3.94038 3.95051 3.95602 3.96913 3.97009 3.99501 4.00050 4.01324 4.07808 4.09161 4.09722 4.10747 4.10830 4.11105 4.15865 4.19033 4.21467 4.26874 4.41522 4.49796 4.67222 4.70387 4.78794 4.82105 4.83647 4.85564 4.87055 4.89528 4.92275 4.93981 5.05576 5.06340 5.13365 5.17004 5.20205 5.26998 5.32923 5.44917 5.75016 5.84147 5.89115 6.29247 6.29540 6.32151 6.33280 6.35081 6.35920 6.37648 6.41983 6.45178 6.45767 6.46569 6.69914 6.70880 6.74751 6.76512 9.79146 9.80908 9.83317 23.48091 23.49188 23.50107 23.62733 23.82217 23.82385 23.84413 23.86307 23.87308 23.91226 23.91737 23.92853 23.99949 24.00594 24.02862 24.04120 24.04969 24.08273 24.12419 24.14151 25.85992 25.88597 25.93385 26.21315 26.25670 26.33816 26.65072 26.68761 26.77816 35.57015 35.63836 35.66964 49.96155 49.99735 50.02817 66.73535 66.75914 66.76785 66.78084 66.81503 215.78747 215.80705 215.83507 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 F F F F F O O O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H 0.361944 0.362639 0.450890 -0.082999 -0.065862 -0.139478 -0.133860 -0.154865 0.156356 -0.332772 -0.288655 -0.301540 -0.225400 0.233040 -0.331452 -1.652993 0.097137 -0.560912 0.440576 0.862371 -0.752799 -0.860275 -0.527845 2.227552 1.215707 0.505694 -0.554838 -0.363654 0.656554 -1.061663 -1.273784 0.340457 0.325800 -0.342654 0.196475 0.141486 0.338451 0.166688 0.150417 0.330934 0.147282 0.146829 0.153024 -0.00000 -8.2314 0.8986 -0.7067 8.3104 -146.7629 -217.8365 -222.8803 -16.6226 2.0018 0.3391 49.0637 -22.0099 -27.0537 -16.6226 2.0018 0.3391 -823.0430 33.5414 -22.3889 -25.9485 44.6111 1.6238 37.7984 9.1979 1.2272 8.3853 -27576.0345 -2939.0709 -2362.8930 -1440.7594 402.2942 116.4197 9.4274 -2.8578 24.0883 -6470.5509 -6389.1018 -893.1724 118.8750 -26.6275 72.0983 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GANDULLAS ALCAMI 2024-08-24T00:00:00.000 0 Wavefunction Chlorfluazuron CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-3037.9087582 RMSD=8.473e-09 Dipole=3.2393753,-0.3573929,-0.2620404 Quadrupole=36.3829682,-16.2192411,-20.1637271,-12.5514148,-1.4947802,-0.1931292 PG=C01 [X(C20H9Cl3F5N3O3)] 0 -1.9036851561 0.7180944059 2.9684600038 0 -1.539364523 1.7468275577 -2.3389765432 0 -5.6225051926 2.6780718762 0.353261082 0 -7.7632587302 -2.2764596541 0.143616237 0 -7.2665747937 -2.1487721129 -1.9655773014 0 -6.2079611374 -3.5568671731 -0.6884783115 0 7.2250423509 1.4459288166 -1.5773644776 0 6.543420876 -2.3701146861 1.1221332327 0 -2.8907338872 1.589971283 0.3065349759 0 3.0436666168 -0.1958084093 2.5409583862 0 4.7403146441 0.2002781403 -1.2300468459 0 2.559109829 0.3706512989 0.3557875899 0 4.7289983941 -0.2170268392 1.0200667217 0 -3.4255936923 -0.6088792693 -0.1553968928 0 1.1805984609 0.6412283998 0.4069604087 0 -1.5588664492 1.2245745221 0.327384782 0 0.4172015239 0.5538137103 1.5759347575 0 0.5725551468 1.0153354943 -0.7986764266 0 -0.9403451544 0.8452599666 1.5167370058 0 -0.7832374787 1.3003714572 -0.8290670143 0 -3.8156158507 0.6300133695 0.0616242619 0 -5.7073425447 -1.2575746103 -0.4250789129 0 -5.1689976858 1.0241951924 0.054352135 0 6.7973277825 -0.4537738206 -0.238507775 0 -6.1232149905 0.0589614473 -0.1948375808 0 3.3645642675 -0.0173110165 1.3836458145 0 -4.3500975055 -1.543721147 -0.3965829995 0 5.3314405327 -0.1306259864 -0.2141304775 0 -6.7285107777 -2.3130568487 -0.7304037878 0 7.6857423419 0.3387451788 -0.9767038926 0 7.3557351575 -1.5687822313 0.3921097838 0 9.0357567501 0.0480920694 -1.0853988232 0 8.6941347877 -1.9068560395 0.3001539816 0 9.5338367504 -1.0847463337 -0.4469911814 0 0.8700138794 0.2628136786 2.5097211273 0 1.1501698572 1.0826264219 -1.7120869733 0 3.0263754263 0.4597623414 -0.5458662466 0 -7.1728961292 0.3234298897 -0.2040504317 0 -3.988012716 -2.5503818554 -0.5667676742 0 5.2763658994 -0.5330284501 1.8088203441 0 9.6700000849 0.7085885652 -1.6616425225 0 9.0524875666 -2.7945464013 0.8040482547 0 10.5859868882 -1.3276341279 -0.5297981918 Gaussian 16 24-Aug-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C20H9Cl3F5N3O3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9037,.7181,2.9685;-1.5394,1.7468,-2.339;-5.6225,2.6781,.3533;-7.7633,-2.2765,.1436;-7.2666,-2.1488,-1.9656;-6.208,-3.5569,-.6885;7.225,1.4459,-1.5774;6.5434,-2.3701,1.1221;-2.8907,1.59,.3065;3.0437,-.1958,2.541;4.7403,.2003,-1.23;2.5591,.3707,.3558;4.729,-.217,1.0201;-3.4256,-.6089,-.1554;1.1806,.6412,.407;-1.5589,1.2246,.3274;.4172,.5538,1.5759;.5726,1.0153,-.7987;-.9403,.8453,1.5167;-.7832,1.3004,-.8291;-3.8156,.63,.0616;-5.7073,-1.2576,-.4251;-5.169,1.0242,.0544;6.7973,-.4538,-.2385;-6.1232,.059,-.1948;3.3646,-.0173,1.3836;-4.3501,-1.5437,-.3966;5.3314,-.1306,-.2141;-6.7285,-2.3131,-.7304;7.6857,.3387,-.9767;7.3557,-1.5688,.3921;9.0358,.0481,-1.0854;8.6941,-1.9069,.3002;9.5338,-1.0847,-.447;.87,.2628,2.5097;1.1502,1.0826,-1.7121;3.0264,.4598,-.5459;-7.1729,.3234,-.2041;-3.988,-2.5504,-.5668;5.2764,-.533,1.8088;9.67,.7086,-1.6616;9.0525,-2.7945,.804;10.586,-1.3276,-.5298; 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 Chlorfluazuron CONF4 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 19 19 19 19 19 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 1 1 1 1 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 860 A 826 A 826 1347 860 135 135 3841.5317545602 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 -0.0500048577 0.000000 5.418478 0.000000 4.950798 4.978694 0.000000 7.161124 7.815815 5.401311 0.000000 7.830979 6.936574 5.601643 2.170644 0.000000 7.083452 7.255971 6.348421 2.179627 2.175862 0.000000 10.223890 8.802580 13.050095 15.539212 14.935848 14.361883 0.000000 9.181479 9.708755 13.194132 14.340410 14.152700 12.933849 4.723779 0.000000 2.969896 2.974817 2.940871 6.222325 6.187785 6.203547 10.290712 10.264052 0.000000 5.049185 6.970780 9.388703 11.263481 11.420333 10.359469 6.094242 4.357632 6.587774 0.000000 7.876441 6.561700 10.771925 12.820317 12.256608 11.587674 2.801097 3.923119 7.907290 4.154032 0.000000 5.182983 5.094419 8.500766 10.658495 10.405782 9.663200 5.163741 4.896307 5.584798 2.308819 2.702138 0.000000 6.975900 7.377823 10.769394 12.691175 12.511574 11.562471 3.967657 2.817505 7.863504 2.270221 2.288511 2.344152 0.000000 3.719616 3.724948 3.986126 4.656777 4.516764 4.088567 10.939848 10.203690 2.309632 7.020847 8.275969 6.085841 8.248190 0.000000 4.009987 4.020040 7.101678 9.411420 9.206942 8.568244 6.412518 6.191892 4.181620 2.953913 3.942817 1.405747 3.701843 4.805832 0.000000 2.711218 2.717096 4.315841 7.126394 7.015346 6.745980 8.990780 8.899465 1.381239 5.301010 6.569205 4.205677 6.488087 2.660696 2.802016 0.000000 2.711573 4.536294 6.518087 8.773934 8.881818 8.118993 7.555519 6.803371 3.691536 2.896813 5.166026 2.471857 4.415289 4.372235 1.398899 2.431798 0.000000 4.517902 2.714371 6.516934 9.011638 8.533768 8.178789 6.711732 7.127554 3.680499 4.327404 4.268562 2.386379 4.701336 4.363150 1.401154 2.419660 2.424029 0.000000 1.746910 4.004769 5.160959 7.627761 7.817411 7.210373 8.752589 8.154821 2.413131 4.243254 6.342769 3.717424 5.789352 3.329717 2.402423 1.393200 1.389740 2.771089 0.000000 4.001957 1.746676 5.168604 7.903197 7.431145 7.282868 8.044481 8.423751 2.411431 5.314209 5.646292 3.665999 6.008872 3.328831 2.412237 1.394534 2.789702 1.385764 2.394704 0.000000 3.480364 3.491630 2.746715 4.902876 4.872403 4.880158 11.191431 10.836747 1.355325 7.340220 8.663546 6.386778 8.639822 1.316841 5.008147 2.348840 4.496186 4.488278 3.229685 3.230794 0.000000 5.466917 5.482835 4.012770 2.363965 2.366130 2.367857 13.262099 12.398097 4.071494 9.300800 10.579549 8.461389 10.587181 2.387449 7.193155 4.892558 6.692923 6.689007 5.560290 5.563551 2.716339 0.000000 4.387253 4.407319 1.740782 4.199105 4.306700 4.755773 12.508101 12.241007 2.360971 8.667149 10.026115 7.761548 10.022154 2.397996 6.370900 3.625982 5.808795 5.804581 4.477956 4.482365 1.409636 2.392936 0.000000 9.346954 8.874404 12.822281 14.679199 14.270569 13.377937 2.363122 2.363932 9.916275 4.677815 2.375339 4.358366 2.432703 10.224436 5.758759 8.541842 6.709206 6.420270 8.039898 7.803253 10.672359 12.531867 12.060809 0.000000 5.314635 5.334595 2.722290 2.873758 3.052356 3.650353 13.491146 12.964509 3.611689 9.569807 10.913657 8.705349 10.923493 2.779339 7.351659 4.739689 6.793936 6.790627 5.514517 5.518941 2.391001 1.399724 1.379965 12.930786 0.000000 5.550397 6.404578 9.438972 11.422341 11.348195 10.414192 5.080546 3.963484 6.547693 1.214170 2.961659 1.362264 1.426098 6.987478 2.481390 5.186341 3.008339 3.691098 4.392492 4.882279 7.329513 9.333233 8.699048 3.821747 9.618492 0.000000 4.735426 4.743503 4.472675 3.532477 3.366552 2.754926 12.013164 11.029876 3.527626 8.069310 9.293642 7.208885 9.284234 1.336715 6.000690 3.997319 5.569346 5.562640 4.581968 4.582401 2.284895 1.387374 2.732789 11.201699 2.398591 8.063197 0.000000 7.949607 7.432884 11.322528 13.274175 12.878295 12.046656 2.815965 2.875727 8.416395 3.581714 1.221071 2.874353 1.376098 8.770281 4.267435 7.043162 5.274707 4.929697 6.579024 6.309928 9.182769 11.098164 10.567161 1.501281 11.456241 2.536598 9.785822 0.000000 6.793262 6.782139 5.225796 1.354974 1.357260 1.348997 14.475806 13.400721 5.571122 10.520456 11.751615 9.728412 11.778455 3.760866 8.519120 6.352871 8.037372 8.024240 6.966166 6.957936 4.215914 1.500017 3.766321 13.661889 2.505930 10.564555 2.521936 12.266702 0.000000 10.376191 9.430858 13.577581 15.708789 15.190043 14.432389 1.341228 3.612193 10.727261 5.848809 2.959544 5.297066 3.610860 11.181875 6.657546 9.378067 7.706744 7.147510 8.993508 8.524678 11.551805 13.499157 12.914227 1.400821 13.833904 4.936659 12.195969 2.518842 14.658220 0.000000 9.879486 9.878001 13.655475 15.137587 14.822517 13.751146 3.603386 1.354593 10.722648 5.009645 3.549844 5.174006 3.020152 10.837815 6.558710 9.342224 7.351878 7.355757 8.713055 8.715859 11.390479 13.092313 12.794786 1.397405 13.589560 4.395413 11.732399 2.556089 14.148497 2.370910 0.000000 11.685635 10.783800 14.961657 17.003557 16.473219 15.669212 2.339800 4.114931 12.106034 7.008216 4.300570 6.642892 4.801192 12.513264 8.017634 10.752958 9.034265 8.523119 10.340657 9.901846 12.915575 14.815524 14.283797 2.445334 15.185113 6.185700 13.497757 3.809594 15.944064 1.385219 2.760396 0.000000 11.239395 11.182080 15.032983 16.462288 16.122540 15.025724 4.113937 2.348580 12.101117 6.314798 4.734366 6.544361 4.369909 12.197544 7.934568 10.720571 8.728696 8.700959 10.093435 10.068865 12.766615 14.434337 14.171730 2.449384 14.955377 5.757487 13.067873 3.837603 15.462375 2.773075 1.383497 2.420389 0.000000 12.071970 11.585042 15.636940 17.348156 16.902428 15.936559 3.607297 3.613435 12.731531 7.200025 5.024173 7.170038 5.098202 12.971442 8.572328 11.356966 9.481041 9.210787 10.830034 10.596074 13.468741 15.242175 14.861774 2.816039 15.700794 6.523080 13.891610 4.315635 16.311132 2.392149 2.383801 1.392469 1.392548 0.000000 2.848004 5.614024 7.255108 9.304824 9.594171 8.655413 7.647903 6.406657 4.556161 2.221728 5.382286 2.739362 4.164262 5.129810 2.158996 3.403973 1.077811 3.405916 2.145381 3.867463 5.299353 7.361131 6.563398 6.572618 7.500763 2.751236 6.241773 5.241993 8.652809 7.656049 7.064248 8.924704 8.414661 9.253102 0.000000 5.600574 2.840378 7.258115 9.704448 9.019301 8.758697 6.087217 7.002955 4.545452 4.827848 3.728276 2.601562 4.686339 5.120751 2.164745 3.393887 3.409981 1.082814 3.853816 2.136633 5.292442 7.359240 6.561677 6.035094 7.500138 3.961940 6.235479 4.604224 8.635275 6.618750 7.068709 7.977812 8.360474 8.751219 4.309785 0.000000 6.059928 5.071268 8.973988 11.152511 10.712836 10.071079 4.434559 4.812487 6.084089 3.155718 1.863605 1.019440 2.410210 6.551516 2.085114 4.729899 3.364324 2.528598 4.487517 3.911518 6.871017 8.901779 8.236685 3.892184 9.165090 2.016181 7.645167 2.402485 10.142997 4.680808 4.872181 6.047581 6.200010 6.688971 3.745036 2.295251 0.000000 6.163211 6.190367 2.873786 2.688648 3.037027 4.027713 14.506779 14.041058 4.494634 10.591640 11.957944 9.748209 11.976880 3.861845 8.381838 5.710675 7.799423 7.798995 6.486764 6.494059 3.381702 2.167089 2.138563 13.991869 1.082524 10.661846 3.389914 12.512582 2.724993 14.878722 14.663458 16.234932 16.030941 16.767734 8.488618 8.492584 10.205908 0.000000 5.246446 5.253819 5.554705 3.851254 3.587050 2.440491 11.946732 10.667520 4.371407 8.040304 9.175498 7.228302 9.162362 2.062759 6.152159 4.577178 5.799407 5.793695 5.015940 5.016741 3.246461 2.155811 3.815510 10.992138 3.392063 8.017540 1.083252 9.634925 2.755618 12.032941 11.426443 13.290584 12.728022 13.601575 6.401506 6.396204 7.633023 4.305095 0.000000 7.379919 8.297960 11.454921 13.260628 13.197805 12.135480 4.379482 2.334920 8.571202 2.373750 3.171719 3.211140 1.010743 8.921211 4.485466 7.211395 4.984671 5.596633 6.374362 6.858469 9.331104 11.231969 10.705546 2.551697 11.589458 2.025271 9.927442 2.063320 12.398920 3.784736 2.720961 4.779877 3.980530 4.849653 4.532170 5.659737 3.404797 12.639988 9.774551 0.000000 12.465478 11.277703 15.549901 17.778863 17.178605 16.469694 2.555111 5.196472 12.744512 7.898613 4.974581 7.399256 5.697528 13.247606 8.738054 11.415337 9.804088 9.143430 11.077012 10.503026 13.595501 15.551770 14.941222 3.410080 15.874482 7.039832 14.256101 4.650018 16.700560 2.131479 3.841893 1.081932 3.411966 2.170246 9.748782 8.528186 6.741262 16.910236 14.084067 5.734958 0.000000 11.707307 11.945293 15.668700 16.836683 16.565013 15.352201 5.195413 2.564515 12.732323 6.773199 5.630395 7.237636 5.038138 12.704337 8.598190 11.356997 9.293841 9.433620 10.658932 10.778539 13.336675 14.890454 14.744337 3.413486 15.473921 6.356213 13.514265 4.688214 15.862733 3.854424 2.133345 3.413339 1.081813 2.172605 8.899980 9.154782 6.980460 16.552979 13.114625 4.514767 4.328153 0.000000 13.130679 12.639208 16.719470 18.386097 17.929018 16.942000 4.481740 4.489764 13.814264 8.221750 6.082495 8.252223 6.159533 14.034998 9.654805 12.439694 10.553585 10.287401 11.906557 11.672842 14.546076 16.293817 15.940259 3.899028 16.769981 7.584666 14.938241 5.398401 17.343677 3.374606 3.367877 2.145816 2.145559 1.082992 10.303802 9.810291 7.768061 17.838443 14.625250 5.855989 2.503259 2.506511 0.000000 C20H9Cl3F5N3O3 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 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9603,-.853,2.9168;1.6535,-1.6406,-2.4353;5.7148,-2.6741,.2527;7.8316,2.295,.2901;7.3564,2.2612,-1.8276;6.2779,3.6046,-.4984;-7.1194,-1.4165,-1.7488;-6.4842,2.2759,1.1282;2.978,-1.598,.2281;-2.9873,.0559,2.4817;-4.6448,-.1761,-1.3203;-2.4784,-.4081,.278;-4.6577,.1383,.9465;3.5059,.6221,-.128;-1.099,-.6742,.3307;1.6441,-1.2403,.2521;-.3476,-.6365,1.51;-.4772,-.9901,-.8846;1.012,-.9185,1.4512;.8803,-1.267,-.9143;3.9002,-.6235,.0364;5.7868,1.2933,-.3449;5.2556,-1.0105,.0248;-6.7148,.4223,-.3207;6.2072,-.0303,-.1707;-3.2959,-.0712,1.3143;4.4278,1.5714,-.3171;-5.2475,.1054,-.2963;6.8053,2.3665,-.5917;-7.5918,-.34,-1.1031;-7.2852,1.5048,.3544;-8.9421,-.0511,-1.212;-8.6243,1.8403,.2645;-9.4524,1.0491,-.5277;-.8111,-.3905,2.4515;-1.0455,-1.0185,-1.8059;-2.9363,-.4583,-.6314;7.2583,-.2891,-.1814;4.0622,2.583,-.4449;-5.2144,.4155,1.7433;-9.5673,-.6877,-1.824;-8.9922,2.7024,.8046;-10.5049,1.2905,-.6099; 0.2230509 0.0313645 0.0307054 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= 826 RedAO= T EigKep= 1.30D-06 NBF= 826 NBsUse= 822 1.00D-06 EigRej= 8.65D-07 NBFU= 822 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= 770 770 770 770 770 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -3037.90875823417 -3037.90875823 1 3.028876587216e+03 -1.485370959431e+04 4.945442499155e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11323125985 LenY= 11322385525 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 3.9069 317.35 0.1608 0.000 135 136 0.70415 -3037.76518191 2 Singlet-A 4.3549 284.70 0.0007 0.000 134 136 0.49472 134 140 -0.10115 135 137 -0.46679 135 141 0.13231 3 Singlet-A 4.3884 282.52 0.0019 0.000 134 136 0.44869 135 137 0.52236 4 Singlet-A 4.6539 266.41 0.0003 0.000 133 136 0.68534 135 138 -0.10300 5 Singlet-A 4.6921 264.24 0.0092 0.000 133 136 0.13442 134 136 -0.15171 134 140 -0.17238 135 138 0.62974 135 141 0.13733 6 Singlet-A 4.7800 259.38 0.0484 0.000 124 136 0.16040 125 136 0.14859 129 136 0.35857 131 136 0.13562 131 139 0.16344 132 136 0.48994 7 Singlet-A 4.8075 257.90 0.0165 0.000 124 136 -0.15779 125 136 -0.14594 129 136 -0.40128 131 136 -0.19612 131 139 0.15418 132 136 0.43689 8 Singlet-A 4.8390 256.22 0.0074 0.000 134 136 -0.13983 134 137 0.16531 134 140 -0.27248 134 142 -0.10254 135 138 -0.24410 135 140 0.10721 135 141 0.53254 9 Singlet-A 4.8422 256.05 0.0232 0.000 133 137 0.18123 134 137 0.65203 135 141 -0.13373 10 Singlet-A 4.8821 253.95 0.1000 0.000 127 138 -0.17738 133 137 0.61736 134 137 -0.20952 135 140 0.12896 PT22063.300S 2024-08-24T06:08:35.000 -101.57441 -101.57045 -101.56662 -24.73453 -24.72799 -24.72413 -24.72403 -24.72159 -19.20109 -19.14724 -19.12423 -14.39302 -14.37875 -14.34585 -10.44611 -10.34192 -10.33819 -10.31323 -10.31095 -10.31001 -10.26965 -10.26871 -10.26299 -10.26073 -10.25723 -10.24733 -10.24279 -10.23297 -10.23239 -10.22826 -10.22261 -10.22083 -10.20833 -10.20054 -9.48884 -9.48507 -9.48126 -7.25381 -7.24991 -7.24609 -7.24359 -7.24301 -7.23980 -7.23936 -7.23603 -7.23551 -1.33091 -1.27495 -1.26763 -1.24541 -1.23935 -1.13364 -1.10887 -1.08565 -0.98790 -0.98214 -0.96304 -0.92082 -0.91699 -0.90299 -0.89174 -0.85231 -0.84249 -0.82154 -0.79938 -0.79851 -0.77453 -0.75826 -0.73623 -0.71852 -0.69572 -0.67529 -0.67028 -0.66387 -0.65663 -0.64280 -0.61619 -0.61010 -0.60887 -0.60663 -0.59382 -0.59142 -0.58576 -0.57422 -0.56214 -0.55478 -0.54015 -0.53435 -0.52250 -0.51968 -0.51055 -0.50366 -0.49448 -0.49234 -0.48809 -0.48654 -0.48141 -0.47899 -0.47638 -0.47471 -0.47045 -0.46675 -0.46272 -0.45476 -0.44861 -0.44772 -0.44713 -0.44335 -0.43520 -0.43048 -0.42722 -0.42163 -0.41538 -0.41197 -0.40994 -0.40687 -0.39903 -0.38075 -0.37833 -0.37419 -0.36859 -0.34070 -0.33612 -0.32878 -0.32550 -0.32057 -0.31256 -0.31194 -0.30687 -0.30460 -0.30330 -0.29233 -0.27067 -0.26623 -0.24980 -0.08926 -0.06693 -0.05369 -0.05084 -0.04626 -0.04288 -0.01875 -0.01763 -0.01572 -0.01140 -0.00163 0.00231 0.01064 0.01259 0.01744 0.02139 0.02422 0.02875 0.03156 0.03448 0.03592 0.03909 0.04269 0.04468 0.04673 0.04911 0.05154 0.05700 0.06019 0.06323 0.06753 0.06871 0.07559 0.07699 0.07849 0.08410 0.08527 0.08691 0.08948 0.09190 0.09326 0.09408 0.09610 0.09689 0.10086 0.10466 0.10608 0.11092 0.11152 0.11491 0.11736 0.11982 0.12274 0.12547 0.12735 0.13033 0.13318 0.13587 0.13646 0.13722 0.13863 0.14183 0.14540 0.14984 0.15235 0.15408 0.15588 0.15781 0.15961 0.16158 0.16417 0.16611 0.16814 0.17106 0.17241 0.17472 0.17680 0.17844 0.18061 0.18296 0.18349 0.18531 0.18662 0.18875 0.19047 0.19482 0.19490 0.20012 0.20181 0.20279 0.20552 0.20783 0.21099 0.21238 0.21365 0.21502 0.21866 0.22062 0.22664 0.22729 0.23157 0.23272 0.23639 0.23800 0.24079 0.24223 0.24420 0.24604 0.24843 0.25212 0.25408 0.25665 0.25735 0.25879 0.26096 0.26614 0.26681 0.26940 0.27275 0.27613 0.27863 0.28091 0.28264 0.28603 0.28989 0.29036 0.29477 0.29656 0.29862 0.30171 0.30343 0.30672 0.31044 0.31509 0.31632 0.32073 0.32150 0.32405 0.32638 0.32902 0.33475 0.33742 0.34290 0.34364 0.34425 0.34589 0.34795 0.34907 0.35270 0.35571 0.35837 0.36013 0.36143 0.36350 0.36842 0.37194 0.37425 0.37771 0.38069 0.38240 0.38486 0.38911 0.39691 0.40581 0.40777 0.41371 0.41646 0.41820 0.42606 0.42669 0.43339 0.43497 0.43787 0.44513 0.45098 0.45906 0.46079 0.46657 0.47162 0.47491 0.47604 0.47669 0.48135 0.48469 0.49053 0.49197 0.49240 0.50173 0.50659 0.50935 0.50975 0.51337 0.51867 0.52324 0.53211 0.53935 0.54280 0.54733 0.54969 0.56254 0.56970 0.56983 0.57281 0.57744 0.58123 0.58367 0.58742 0.59490 0.59813 0.60192 0.60907 0.60992 0.61129 0.61666 0.62219 0.62513 0.62740 0.63566 0.64370 0.64692 0.64871 0.65449 0.66255 0.66379 0.66502 0.67525 0.67726 0.68153 0.68287 0.68620 0.68812 0.69245 0.69427 0.70083 0.70608 0.71273 0.71446 0.72158 0.72748 0.72893 0.73254 0.73439 0.73808 0.74591 0.75661 0.77183 0.77579 0.78834 0.79494 0.80338 0.80614 0.81796 0.81822 0.82417 0.83066 0.83582 0.83993 0.84423 0.84526 0.84736 0.85102 0.85435 0.85871 0.86801 0.86953 0.87088 0.87935 0.88228 0.88698 0.89453 0.89827 0.90461 0.90727 0.91074 0.91643 0.91850 0.92209 0.92472 0.93663 0.94731 0.95164 0.95699 0.96758 0.96910 0.97414 0.97711 0.98198 0.98407 0.98892 0.99424 0.99858 1.00549 1.01355 1.01476 1.01647 1.02272 1.02452 1.03258 1.04397 1.05115 1.05538 1.06087 1.06824 1.07145 1.07833 1.08342 1.08581 1.09665 1.10826 1.11328 1.12618 1.13503 1.14871 1.15433 1.16176 1.16499 1.17140 1.17383 1.17719 1.19736 1.20253 1.20685 1.21157 1.21508 1.22943 1.22981 1.24007 1.24246 1.25583 1.26315 1.27026 1.27780 1.28159 1.28712 1.29260 1.30699 1.31186 1.32092 1.32906 1.34635 1.36333 1.37045 1.37301 1.39612 1.39841 1.40082 1.41074 1.41189 1.41867 1.42022 1.42488 1.42636 1.43280 1.44357 1.45170 1.45475 1.46101 1.46920 1.47232 1.48111 1.49116 1.49772 1.49900 1.50566 1.51584 1.51670 1.52389 1.52857 1.52947 1.53824 1.54651 1.55011 1.55687 1.55978 1.56754 1.57315 1.58110 1.58776 1.60058 1.60249 1.61211 1.61638 1.62270 1.62689 1.64317 1.64934 1.65355 1.65713 1.67439 1.67533 1.68298 1.69494 1.70662 1.71112 1.72298 1.73714 1.75477 1.76034 1.76498 1.77295 1.78406 1.80523 1.80928 1.81301 1.82143 1.84128 1.85182 1.85686 1.85779 1.86090 1.87225 1.87610 1.88406 1.89511 1.89820 1.90076 1.91584 1.91908 1.92561 1.93060 1.93401 1.94213 1.94407 1.96062 1.96314 1.96721 1.96844 1.97481 1.99864 2.01237 2.01345 2.02053 2.04423 2.04826 2.05584 2.05876 2.07264 2.09674 2.10906 2.12076 2.12648 2.12820 2.13920 2.14242 2.18172 2.18798 2.19500 2.20217 2.20885 2.22720 2.24480 2.24859 2.27397 2.27973 2.28272 2.28546 2.29172 2.29355 2.30192 2.30748 2.33521 2.34047 2.34332 2.35317 2.36213 2.40815 2.41393 2.41779 2.43193 2.44218 2.46447 2.47786 2.49251 2.50336 2.51851 2.53868 2.54653 2.55828 2.56823 2.57891 2.59029 2.60238 2.61236 2.64043 2.65481 2.66151 2.67012 2.68381 2.68867 2.69175 2.70021 2.71329 2.72157 2.72442 2.72498 2.72777 2.73826 2.73970 2.75063 2.75743 2.75875 2.76006 2.76076 2.77986 2.79558 2.79938 2.80409 2.81938 2.82799 2.84072 2.85493 2.86145 2.88274 2.88641 2.88989 2.90260 2.90673 2.91791 2.92357 2.93332 2.93508 2.94145 2.96933 2.98338 3.02369 3.03583 3.04069 3.05245 3.07065 3.08886 3.09935 3.10450 3.10755 3.12069 3.13760 3.15252 3.16361 3.18957 3.19584 3.20232 3.21950 3.22653 3.25640 3.30339 3.31289 3.33605 3.33941 3.34534 3.34964 3.35823 3.36303 3.38367 3.40797 3.45196 3.46990 3.48871 3.49954 3.53394 3.56277 3.58923 3.59776 3.62077 3.65932 3.68997 3.69984 3.70360 3.72530 3.73660 3.73943 3.74468 3.75755 3.76138 3.76318 3.76675 3.76713 3.77330 3.79512 3.84161 3.84779 3.88529 3.89610 3.90241 3.90686 3.92529 3.93229 3.94038 3.95051 3.95602 3.96913 3.97009 3.99501 4.00050 4.01324 4.07808 4.09161 4.09722 4.10747 4.10830 4.11105 4.15865 4.19033 4.21467 4.26874 4.41522 4.49796 4.67222 4.70387 4.78794 4.82105 4.83647 4.85564 4.87055 4.89528 4.92275 4.93981 5.05576 5.06340 5.13365 5.17004 5.20205 5.26998 5.32923 5.44917 5.75016 5.84147 5.89115 6.29247 6.29540 6.32151 6.33280 6.35081 6.35920 6.37648 6.41983 6.45178 6.45767 6.46569 6.69914 6.70880 6.74751 6.76512 9.79146 9.80908 9.83317 23.48091 23.49188 23.50107 23.62733 23.82217 23.82385 23.84413 23.86307 23.87308 23.91226 23.91737 23.92853 23.99949 24.00594 24.02862 24.04120 24.04969 24.08273 24.12419 24.14151 25.85992 25.88597 25.93385 26.21315 26.25670 26.33816 26.65072 26.68761 26.77816 35.57015 35.63836 35.66964 49.96155 49.99735 50.02817 66.73535 66.75914 66.76785 66.78084 66.81503 215.78747 215.80705 215.83507 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 F F F F F O O O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H 0.361944 0.362639 0.450890 -0.082999 -0.065862 -0.139478 -0.133860 -0.154865 0.156356 -0.332772 -0.288655 -0.301540 -0.225400 0.233040 -0.331452 -1.652993 0.097137 -0.560912 0.440576 0.862371 -0.752799 -0.860275 -0.527845 2.227552 1.215707 0.505694 -0.554838 -0.363654 0.656554 -1.061664 -1.273784 0.340457 0.325800 -0.342654 0.196475 0.141486 0.338451 0.166688 0.150417 0.330934 0.147282 0.146829 0.153024 -0.00000 -8.2314 0.8986 -0.7067 8.3104 -146.7629 -217.8365 -222.8803 -16.6226 2.0018 0.3391 49.0637 -22.0099 -27.0537 -16.6226 2.0018 0.3391 -823.0430 33.5414 -22.3889 -25.9485 44.6111 1.6238 37.7984 9.1979 1.2272 8.3853 -27576.0345 -2939.0709 -2362.8930 -1440.7594 402.2942 116.4197 9.4274 -2.8578 24.0883 -6470.5509 -6389.1018 -893.1724 118.8750 -26.6275 72.0983 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GANDULLAS ALCAMI 2024-08-24T00:00:00.000 0 Electronic spectrum Chlorfluazuron CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-3037.9087582 RMSD=4.279e-09 PG=C01 [X(C20H9Cl3F5N3O3)] 0 -1.9036851561 0.7180944059 2.9684600038 0 -1.539364523 1.7468275577 -2.3389765432 0 -5.6225051926 2.6780718762 0.353261082 0 -7.7632587302 -2.2764596541 0.143616237 0 -7.2665747937 -2.1487721129 -1.9655773014 0 -6.2079611374 -3.5568671731 -0.6884783115 0 7.2250423509 1.4459288166 -1.5773644776 0 6.543420876 -2.3701146861 1.1221332327 0 -2.8907338872 1.589971283 0.3065349759 0 3.0436666168 -0.1958084093 2.5409583862 0 4.7403146441 0.2002781403 -1.2300468459 0 2.559109829 0.3706512989 0.3557875899 0 4.7289983941 -0.2170268392 1.0200667217 0 -3.4255936923 -0.6088792693 -0.1553968928 0 1.1805984609 0.6412283998 0.4069604087 0 -1.5588664492 1.2245745221 0.327384782 0 0.4172015239 0.5538137103 1.5759347575 0 0.5725551468 1.0153354943 -0.7986764266 0 -0.9403451544 0.8452599666 1.5167370058 0 -0.7832374787 1.3003714572 -0.8290670143 0 -3.8156158507 0.6300133695 0.0616242619 0 -5.7073425447 -1.2575746103 -0.4250789129 0 -5.1689976858 1.0241951924 0.054352135 0 6.7973277825 -0.4537738206 -0.238507775 0 -6.1232149905 0.0589614473 -0.1948375808 0 3.3645642675 -0.0173110165 1.3836458145 0 -4.3500975055 -1.543721147 -0.3965829995 0 5.3314405327 -0.1306259864 -0.2141304775 0 -6.7285107777 -2.3130568487 -0.7304037878 0 7.6857423419 0.3387451788 -0.9767038926 0 7.3557351575 -1.5687822313 0.3921097838 0 9.0357567501 0.0480920694 -1.0853988232 0 8.6941347877 -1.9068560395 0.3001539816 0 9.5338367504 -1.0847463337 -0.4469911814 0 0.8700138794 0.2628136786 2.5097211273 0 1.1501698572 1.0826264219 -1.7120869733 0 3.0263754263 0.4597623414 -0.5458662466 0 -7.1728961292 0.3234298897 -0.2040504317 0 -3.988012716 -2.5503818554 -0.5667676742 0 5.2763658994 -0.5330284501 1.8088203441 0 9.6700000849 0.7085885652 -1.6616425225 0 9.0524875666 -2.7945464013 0.8040482547 0 10.5859868882 -1.3276341279 -0.5297981918 Gaussian 16 24-Aug-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C20H9Cl3F5N3O3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.9037,.7181,2.9685;-1.5394,1.7468,-2.339;-5.6225,2.6781,.3533;-7.7633,-2.2765,.1436;-7.2666,-2.1488,-1.9656;-6.208,-3.5569,-.6885;7.225,1.4459,-1.5774;6.5434,-2.3701,1.1221;-2.8907,1.59,.3065;3.0437,-.1958,2.541;4.7403,.2003,-1.23;2.5591,.3707,.3558;4.729,-.217,1.0201;-3.4256,-.6089,-.1554;1.1806,.6412,.407;-1.5589,1.2246,.3274;.4172,.5538,1.5759;.5726,1.0153,-.7987;-.9403,.8453,1.5167;-.7832,1.3004,-.8291;-3.8156,.63,.0616;-5.7073,-1.2576,-.4251;-5.169,1.0242,.0544;6.7973,-.4538,-.2385;-6.1232,.059,-.1948;3.3646,-.0173,1.3836;-4.3501,-1.5437,-.3966;5.3314,-.1306,-.2141;-6.7285,-2.3131,-.7304;7.6857,.3387,-.9767;7.3557,-1.5688,.3921;9.0358,.0481,-1.0854;8.6941,-1.9069,.3002;9.5338,-1.0847,-.447;.87,.2628,2.5097;1.1502,1.0826,-1.7121;3.0264,.4598,-.5459;-7.1729,.3234,-.2041;-3.988,-2.5504,-.5668;5.2764,-.533,1.8088;9.67,.7086,-1.6616;9.0525,-2.7945,.804;10.586,-1.3276,-.5298; 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 Chlorfluazuron CONF4 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 19 19 19 19 19 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 34.9688527 34.9688527 34.9688527 18.9984033 18.9984033 18.9984033 18.9984033 18.9984033 15.9949146 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 3 1 1 1 1 1 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 14.2400000 6.7500000 6.7500000 6.7500000 6.7500000 6.7500000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1635 A 1431 A 1431 2122 1635 135 135 3841.5317545602 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 -0.0500048577 0.000000 5.418478 0.000000 4.950798 4.978694 0.000000 7.161124 7.815815 5.401311 0.000000 7.830979 6.936574 5.601643 2.170644 0.000000 7.083452 7.255971 6.348421 2.179627 2.175862 0.000000 10.223890 8.802580 13.050095 15.539212 14.935848 14.361883 0.000000 9.181479 9.708755 13.194132 14.340410 14.152700 12.933849 4.723779 0.000000 2.969896 2.974817 2.940871 6.222325 6.187785 6.203547 10.290712 10.264052 0.000000 5.049185 6.970780 9.388703 11.263481 11.420333 10.359469 6.094242 4.357632 6.587774 0.000000 7.876441 6.561700 10.771925 12.820317 12.256608 11.587674 2.801097 3.923119 7.907290 4.154032 0.000000 5.182983 5.094419 8.500766 10.658495 10.405782 9.663200 5.163741 4.896307 5.584798 2.308819 2.702138 0.000000 6.975900 7.377823 10.769394 12.691175 12.511574 11.562471 3.967657 2.817505 7.863504 2.270221 2.288511 2.344152 0.000000 3.719616 3.724948 3.986126 4.656777 4.516764 4.088567 10.939848 10.203690 2.309632 7.020847 8.275969 6.085841 8.248190 0.000000 4.009987 4.020040 7.101678 9.411420 9.206942 8.568244 6.412518 6.191892 4.181620 2.953913 3.942817 1.405747 3.701843 4.805832 0.000000 2.711218 2.717096 4.315841 7.126394 7.015346 6.745980 8.990780 8.899465 1.381239 5.301010 6.569205 4.205677 6.488087 2.660696 2.802016 0.000000 2.711573 4.536294 6.518087 8.773934 8.881818 8.118993 7.555519 6.803371 3.691536 2.896813 5.166026 2.471857 4.415289 4.372235 1.398899 2.431798 0.000000 4.517902 2.714371 6.516934 9.011638 8.533768 8.178789 6.711732 7.127554 3.680499 4.327404 4.268562 2.386379 4.701336 4.363150 1.401154 2.419660 2.424029 0.000000 1.746910 4.004769 5.160959 7.627761 7.817411 7.210373 8.752589 8.154821 2.413131 4.243254 6.342769 3.717424 5.789352 3.329717 2.402423 1.393200 1.389740 2.771089 0.000000 4.001957 1.746676 5.168604 7.903197 7.431145 7.282868 8.044481 8.423751 2.411431 5.314209 5.646292 3.665999 6.008872 3.328831 2.412237 1.394534 2.789702 1.385764 2.394704 0.000000 3.480364 3.491630 2.746715 4.902876 4.872403 4.880158 11.191431 10.836747 1.355325 7.340220 8.663546 6.386778 8.639822 1.316841 5.008147 2.348840 4.496186 4.488278 3.229685 3.230794 0.000000 5.466917 5.482835 4.012770 2.363965 2.366130 2.367857 13.262099 12.398097 4.071494 9.300800 10.579549 8.461389 10.587181 2.387449 7.193155 4.892558 6.692923 6.689007 5.560290 5.563551 2.716339 0.000000 4.387253 4.407319 1.740782 4.199105 4.306700 4.755773 12.508101 12.241007 2.360971 8.667149 10.026115 7.761548 10.022154 2.397996 6.370900 3.625982 5.808795 5.804581 4.477956 4.482365 1.409636 2.392936 0.000000 9.346954 8.874404 12.822281 14.679199 14.270569 13.377937 2.363122 2.363932 9.916275 4.677815 2.375339 4.358366 2.432703 10.224436 5.758759 8.541842 6.709206 6.420270 8.039898 7.803253 10.672359 12.531867 12.060809 0.000000 5.314635 5.334595 2.722290 2.873758 3.052356 3.650353 13.491146 12.964509 3.611689 9.569807 10.913657 8.705349 10.923493 2.779339 7.351659 4.739689 6.793936 6.790627 5.514517 5.518941 2.391001 1.399724 1.379965 12.930786 0.000000 5.550397 6.404578 9.438972 11.422341 11.348195 10.414192 5.080546 3.963484 6.547693 1.214170 2.961659 1.362264 1.426098 6.987478 2.481390 5.186341 3.008339 3.691098 4.392492 4.882279 7.329513 9.333233 8.699048 3.821747 9.618492 0.000000 4.735426 4.743503 4.472675 3.532477 3.366552 2.754926 12.013164 11.029876 3.527626 8.069310 9.293642 7.208885 9.284234 1.336715 6.000690 3.997319 5.569346 5.562640 4.581968 4.582401 2.284895 1.387374 2.732789 11.201699 2.398591 8.063197 0.000000 7.949607 7.432884 11.322528 13.274175 12.878295 12.046656 2.815965 2.875727 8.416395 3.581714 1.221071 2.874353 1.376098 8.770281 4.267435 7.043162 5.274707 4.929697 6.579024 6.309928 9.182769 11.098164 10.567161 1.501281 11.456241 2.536598 9.785822 0.000000 6.793262 6.782139 5.225796 1.354974 1.357260 1.348997 14.475806 13.400721 5.571122 10.520456 11.751615 9.728412 11.778455 3.760866 8.519120 6.352871 8.037372 8.024240 6.966166 6.957936 4.215914 1.500017 3.766321 13.661889 2.505930 10.564555 2.521936 12.266702 0.000000 10.376191 9.430858 13.577581 15.708789 15.190043 14.432389 1.341228 3.612193 10.727261 5.848809 2.959544 5.297066 3.610860 11.181875 6.657546 9.378067 7.706744 7.147510 8.993508 8.524678 11.551805 13.499157 12.914227 1.400821 13.833904 4.936659 12.195969 2.518842 14.658220 0.000000 9.879486 9.878001 13.655475 15.137587 14.822517 13.751146 3.603386 1.354593 10.722648 5.009645 3.549844 5.174006 3.020152 10.837815 6.558710 9.342224 7.351878 7.355757 8.713055 8.715859 11.390479 13.092313 12.794786 1.397405 13.589560 4.395413 11.732399 2.556089 14.148497 2.370910 0.000000 11.685635 10.783800 14.961657 17.003557 16.473219 15.669212 2.339800 4.114931 12.106034 7.008216 4.300570 6.642892 4.801192 12.513264 8.017634 10.752958 9.034265 8.523119 10.340657 9.901846 12.915575 14.815524 14.283797 2.445334 15.185113 6.185700 13.497757 3.809594 15.944064 1.385219 2.760396 0.000000 11.239395 11.182080 15.032983 16.462288 16.122540 15.025724 4.113937 2.348580 12.101117 6.314798 4.734366 6.544361 4.369909 12.197544 7.934568 10.720571 8.728696 8.700959 10.093435 10.068865 12.766615 14.434337 14.171730 2.449384 14.955377 5.757487 13.067873 3.837603 15.462375 2.773075 1.383497 2.420389 0.000000 12.071970 11.585042 15.636940 17.348156 16.902428 15.936559 3.607297 3.613435 12.731531 7.200025 5.024173 7.170038 5.098202 12.971442 8.572328 11.356966 9.481041 9.210787 10.830034 10.596074 13.468741 15.242175 14.861774 2.816039 15.700794 6.523080 13.891610 4.315635 16.311132 2.392149 2.383801 1.392469 1.392548 0.000000 2.848004 5.614024 7.255108 9.304824 9.594171 8.655413 7.647903 6.406657 4.556161 2.221728 5.382286 2.739362 4.164262 5.129810 2.158996 3.403973 1.077811 3.405916 2.145381 3.867463 5.299353 7.361131 6.563398 6.572618 7.500763 2.751236 6.241773 5.241993 8.652809 7.656049 7.064248 8.924704 8.414661 9.253102 0.000000 5.600574 2.840378 7.258115 9.704448 9.019301 8.758697 6.087217 7.002955 4.545452 4.827848 3.728276 2.601562 4.686339 5.120751 2.164745 3.393887 3.409981 1.082814 3.853816 2.136633 5.292442 7.359240 6.561677 6.035094 7.500138 3.961940 6.235479 4.604224 8.635275 6.618750 7.068709 7.977812 8.360474 8.751219 4.309785 0.000000 6.059928 5.071268 8.973988 11.152511 10.712836 10.071079 4.434559 4.812487 6.084089 3.155718 1.863605 1.019440 2.410210 6.551516 2.085114 4.729899 3.364324 2.528598 4.487517 3.911518 6.871017 8.901779 8.236685 3.892184 9.165090 2.016181 7.645167 2.402485 10.142997 4.680808 4.872181 6.047581 6.200010 6.688971 3.745036 2.295251 0.000000 6.163211 6.190367 2.873786 2.688648 3.037027 4.027713 14.506779 14.041058 4.494634 10.591640 11.957944 9.748209 11.976880 3.861845 8.381838 5.710675 7.799423 7.798995 6.486764 6.494059 3.381702 2.167089 2.138563 13.991869 1.082524 10.661846 3.389914 12.512582 2.724993 14.878722 14.663458 16.234932 16.030941 16.767734 8.488618 8.492584 10.205908 0.000000 5.246446 5.253819 5.554705 3.851254 3.587050 2.440491 11.946732 10.667520 4.371407 8.040304 9.175498 7.228302 9.162362 2.062759 6.152159 4.577178 5.799407 5.793695 5.015940 5.016741 3.246461 2.155811 3.815510 10.992138 3.392063 8.017540 1.083252 9.634925 2.755618 12.032941 11.426443 13.290584 12.728022 13.601575 6.401506 6.396204 7.633023 4.305095 0.000000 7.379919 8.297960 11.454921 13.260628 13.197805 12.135480 4.379482 2.334920 8.571202 2.373750 3.171719 3.211140 1.010743 8.921211 4.485466 7.211395 4.984671 5.596633 6.374362 6.858469 9.331104 11.231969 10.705546 2.551697 11.589458 2.025271 9.927442 2.063320 12.398920 3.784736 2.720961 4.779877 3.980530 4.849653 4.532170 5.659737 3.404797 12.639988 9.774551 0.000000 12.465478 11.277703 15.549901 17.778863 17.178605 16.469694 2.555111 5.196472 12.744512 7.898613 4.974581 7.399256 5.697528 13.247606 8.738054 11.415337 9.804088 9.143430 11.077012 10.503026 13.595501 15.551770 14.941222 3.410080 15.874482 7.039832 14.256101 4.650018 16.700560 2.131479 3.841893 1.081932 3.411966 2.170246 9.748782 8.528186 6.741262 16.910236 14.084067 5.734958 0.000000 11.707307 11.945293 15.668700 16.836683 16.565013 15.352201 5.195413 2.564515 12.732323 6.773199 5.630395 7.237636 5.038138 12.704337 8.598190 11.356997 9.293841 9.433620 10.658932 10.778539 13.336675 14.890454 14.744337 3.413486 15.473921 6.356213 13.514265 4.688214 15.862733 3.854424 2.133345 3.413339 1.081813 2.172605 8.899980 9.154782 6.980460 16.552979 13.114625 4.514767 4.328153 0.000000 13.130679 12.639208 16.719470 18.386097 17.929018 16.942000 4.481740 4.489764 13.814264 8.221750 6.082495 8.252223 6.159533 14.034998 9.654805 12.439694 10.553585 10.287401 11.906557 11.672842 14.546076 16.293817 15.940259 3.899028 16.769981 7.584666 14.938241 5.398401 17.343677 3.374606 3.367877 2.145816 2.145559 1.082992 10.303802 9.810291 7.768061 17.838443 14.625250 5.855989 2.503259 2.506511 0.000000 C20H9Cl3F5N3O3 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 0 531.5833159999999 AuxInfo=1/0/N:15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;1;2;3;4;5;6;7;8;12;13;14;9;10;11;35;36;37;38;39;40;41;42;43/rA:43nCl0Cl0Cl0F0F0F0F0F0O0O0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.9603,-.853,2.9168;1.6535,-1.6406,-2.4353;5.7148,-2.6741,.2527;7.8316,2.295,.2901;7.3564,2.2612,-1.8276;6.2779,3.6046,-.4984;-7.1194,-1.4165,-1.7488;-6.4842,2.2759,1.1282;2.978,-1.598,.2281;-2.9873,.0559,2.4817;-4.6448,-.1761,-1.3203;-2.4784,-.4081,.278;-4.6577,.1383,.9465;3.5059,.6221,-.128;-1.099,-.6742,.3307;1.6441,-1.2403,.2521;-.3476,-.6365,1.51;-.4772,-.9901,-.8846;1.012,-.9185,1.4512;.8803,-1.267,-.9143;3.9002,-.6235,.0364;5.7868,1.2933,-.3449;5.2556,-1.0105,.0248;-6.7148,.4223,-.3207;6.2072,-.0303,-.1707;-3.2959,-.0712,1.3143;4.4278,1.5714,-.3171;-5.2475,.1054,-.2963;6.8053,2.3665,-.5917;-7.5918,-.34,-1.1031;-7.2852,1.5048,.3544;-8.9421,-.0511,-1.212;-8.6243,1.8403,.2645;-9.4524,1.0491,-.5277;-.8111,-.3905,2.4515;-1.0455,-1.0185,-1.8059;-2.9363,-.4583,-.6314;7.2583,-.2891,-.1814;4.0622,2.583,-.4449;-5.2144,.4155,1.7433;-9.5673,-.6877,-1.824;-8.9922,2.7024,.8046;-10.5049,1.2905,-.6099; 0.2230509 0.0313645 0.0307054 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= 1431 RedAO= T EigKep= 1.08D-06 NBF= 1431 NBsUse= 1423 1.00D-06 EigRej= 9.93D-07 NBFU= 1423 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= 1409 1409 1409 1409 1409 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -3037.91192449939 -3037.97595323044 -0.064028731053 -3038.03967859760 -0.063725367160 -3038.04094366535 -0.001265067747 -3038.04112145793 -0.000177792577 -3038.04113655078 -0.000015092856 -3038.04113964983 -0.000003099044 -3038.04113977134 -0.000000121509 -3038.04113980307 -0.000000031730 -3038.04113980499 -0.000000001919 -3038.04113980466 0.000000000326 -3038.04113980507 -0.000000000407 -3038.04113980526 -0.000000000187 -3038.04113981 13 3.028235310043e+03 -1.485411965945e+04 4.946361459903e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 11324620800 LenX= 11319247169 LenY= 11316572309 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. PT22019.100S 2024-08-24T06:54:33.000 -101.57165 -101.56802 -101.56426 -24.73382 -24.72528 -24.72372 -24.72151 -24.71918 -19.19971 -19.14462 -19.12187 -14.39001 -14.37580 -14.34263 -10.44028 -10.33751 -10.33388 -10.30990 -10.30762 -10.30593 -10.26565 -10.26565 -10.26004 -10.25785 -10.25416 -10.24344 -10.23946 -10.22953 -10.22919 -10.22391 -10.21934 -10.21757 -10.20583 -10.19809 -9.48627 -9.48276 -9.47903 -7.25046 -7.24684 -7.24311 -7.24143 -7.24086 -7.23791 -7.23743 -7.23423 -7.23368 -1.32430 -1.27113 -1.26404 -1.24013 -1.23439 -1.12900 -1.10364 -1.08038 -0.98289 -0.97808 -0.95923 -0.91692 -0.91318 -0.89863 -0.88794 -0.84775 -0.83922 -0.81803 -0.79610 -0.79475 -0.77076 -0.75551 -0.73217 -0.71480 -0.69192 -0.67216 -0.66649 -0.66019 -0.65307 -0.63966 -0.61231 -0.60707 -0.60493 -0.60323 -0.59034 -0.58724 -0.58244 -0.57130 -0.55913 -0.55103 -0.53709 -0.53165 -0.52002 -0.51769 -0.50774 -0.50284 -0.49264 -0.48929 -0.48560 -0.48394 -0.47985 -0.47585 -0.47377 -0.47184 -0.46800 -0.46418 -0.46016 -0.45204 -0.44663 -0.44550 -0.44496 -0.44037 -0.43287 -0.42825 -0.42562 -0.41933 -0.41280 -0.40946 -0.40745 -0.40459 -0.39756 -0.37971 -0.37636 -0.37286 -0.36747 -0.33933 -0.33479 -0.32708 -0.32376 -0.31916 -0.31095 -0.31032 -0.30470 -0.30251 -0.30138 -0.29037 -0.26847 -0.26511 -0.24846 -0.08773 -0.06545 -0.05185 -0.04920 -0.04546 -0.04324 -0.01811 -0.01748 -0.01588 -0.01119 -0.00275 0.00118 0.00986 0.01182 0.01637 0.02085 0.02302 0.02783 0.03024 0.03291 0.03573 0.03902 0.04183 0.04296 0.04574 0.04828 0.05029 0.05624 0.05975 0.06196 0.06557 0.06790 0.07417 0.07600 0.07771 0.08313 0.08501 0.08586 0.08838 0.09158 0.09224 0.09285 0.09538 0.09750 0.09969 0.10384 0.10642 0.10921 0.11014 0.11507 0.11660 0.11816 0.12060 0.12395 0.12571 0.12727 0.13039 0.13361 0.13407 0.13479 0.13585 0.13995 0.14157 0.14680 0.14982 0.15018 0.15365 0.15513 0.15675 0.15908 0.16115 0.16308 0.16389 0.16633 0.16844 0.17132 0.17212 0.17306 0.17577 0.17691 0.17915 0.18021 0.18391 0.18461 0.18608 0.18862 0.18969 0.19430 0.19564 0.19671 0.20015 0.20381 0.20481 0.20527 0.20758 0.20879 0.21325 0.21427 0.21890 0.22111 0.22377 0.22628 0.22937 0.23201 0.23252 0.23349 0.23729 0.23866 0.24058 0.24366 0.24627 0.24851 0.25068 0.25116 0.25691 0.26026 0.26247 0.26272 0.26571 0.26657 0.26852 0.26904 0.27241 0.27314 0.27688 0.28106 0.28238 0.28299 0.28710 0.28961 0.29037 0.29532 0.29781 0.29973 0.30315 0.30604 0.30889 0.31019 0.31513 0.31754 0.31931 0.31976 0.32218 0.32273 0.32373 0.32754 0.33015 0.33249 0.33371 0.33898 0.34104 0.34403 0.34510 0.34586 0.34849 0.34867 0.35250 0.35342 0.35596 0.35832 0.35926 0.36055 0.36236 0.36669 0.36736 0.36970 0.37295 0.37596 0.37649 0.37899 0.38098 0.38577 0.38913 0.39016 0.39216 0.39787 0.39956 0.40213 0.40403 0.40754 0.40890 0.41105 0.41314 0.41833 0.42078 0.42373 0.42579 0.42940 0.43413 0.43439 0.43805 0.43927 0.44145 0.44315 0.44618 0.44748 0.44988 0.45442 0.45700 0.45982 0.46373 0.46730 0.47233 0.47608 0.47744 0.47938 0.48056 0.48621 0.48842 0.49278 0.49737 0.50074 0.50470 0.50877 0.50972 0.51237 0.51951 0.52451 0.52491 0.52640 0.52869 0.53099 0.53266 0.53507 0.54041 0.54173 0.54841 0.55001 0.55088 0.55637 0.55937 0.56060 0.56391 0.56848 0.57173 0.57336 0.57587 0.57636 0.58163 0.58266 0.58483 0.58909 0.59186 0.59519 0.59892 0.60248 0.60340 0.60695 0.60763 0.61176 0.61391 0.61582 0.61679 0.62078 0.62529 0.62908 0.63185 0.63406 0.63771 0.63877 0.64472 0.64803 0.65455 0.65573 0.65832 0.66086 0.66166 0.66465 0.66716 0.67122 0.67301 0.67584 0.67933 0.68368 0.68884 0.69084 0.69578 0.69822 0.69982 0.70515 0.70697 0.71234 0.71464 0.71763 0.72126 0.72376 0.72722 0.73127 0.73751 0.73881 0.74399 0.74562 0.74821 0.75172 0.75357 0.75839 0.76286 0.76579 0.77240 0.77870 0.78408 0.78894 0.79026 0.79609 0.79955 0.80528 0.80598 0.81272 0.81661 0.82177 0.82455 0.82863 0.83195 0.83767 0.84300 0.84701 0.84926 0.85378 0.85518 0.86118 0.86720 0.87476 0.88024 0.88711 0.89010 0.89572 0.90137 0.90555 0.91188 0.91336 0.91776 0.92440 0.92810 0.93714 0.94540 0.94903 0.95565 0.95755 0.95971 0.96402 0.97045 0.97692 0.97898 0.98320 0.98956 0.99517 0.99974 1.00799 1.00900 1.01517 1.01665 1.02102 1.03356 1.03912 1.04530 1.04857 1.05979 1.06337 1.06893 1.07343 1.07442 1.07648 1.08055 1.08667 1.09132 1.09557 1.10014 1.10243 1.10932 1.11045 1.11695 1.11979 1.12154 1.12485 1.12617 1.12767 1.13052 1.13496 1.13674 1.14369 1.14691 1.14869 1.15165 1.15721 1.16056 1.16283 1.16705 1.16901 1.17049 1.17369 1.17551 1.17867 1.18071 1.18393 1.18527 1.19058 1.19522 1.19732 1.19948 1.20143 1.20685 1.21238 1.21546 1.22231 1.22441 1.22776 1.22977 1.23776 1.24191 1.24541 1.24970 1.25143 1.25534 1.25859 1.25953 1.26252 1.26325 1.26563 1.26853 1.27180 1.27865 1.28161 1.28390 1.28428 1.28773 1.29119 1.29443 1.29760 1.30372 1.30435 1.31060 1.31437 1.31645 1.31880 1.32340 1.32517 1.32799 1.33030 1.33473 1.33900 1.34290 1.34534 1.34838 1.35507 1.35774 1.35864 1.36131 1.36687 1.36990 1.37137 1.37497 1.37673 1.37879 1.38294 1.38381 1.39014 1.39224 1.39802 1.40039 1.40427 1.40787 1.41225 1.41559 1.41710 1.42298 1.42584 1.43232 1.43613 1.43807 1.44081 1.44453 1.44876 1.45508 1.45953 1.46282 1.46682 1.47031 1.47221 1.47375 1.47595 1.48351 1.48898 1.49104 1.49547 1.49776 1.50238 1.50533 1.51167 1.51388 1.52154 1.52542 1.53200 1.53548 1.54189 1.54382 1.54641 1.55222 1.55542 1.55702 1.56508 1.56793 1.57335 1.58467 1.58533 1.59476 1.60111 1.60253 1.60878 1.60974 1.61796 1.61988 1.63074 1.63761 1.63998 1.65214 1.65383 1.65860 1.66283 1.66561 1.66984 1.68054 1.68263 1.69341 1.69716 1.70217 1.70717 1.71275 1.71938 1.72530 1.73001 1.74308 1.74483 1.75385 1.76152 1.76942 1.77023 1.77791 1.78861 1.79281 1.79828 1.81039 1.81756 1.82205 1.82575 1.83527 1.83919 1.84626 1.85197 1.85969 1.86592 1.87005 1.87514 1.88178 1.88420 1.88897 1.89815 1.90411 1.91010 1.91164 1.91786 1.92501 1.93879 1.94748 1.95650 1.96291 1.96621 1.98021 1.98329 1.98691 1.99048 1.99661 2.00351 2.00967 2.01846 2.02319 2.02701 2.03383 2.03697 2.04432 2.05291 2.05720 2.06401 2.07169 2.07801 2.08621 2.09505 2.09797 2.10914 2.11282 2.12330 2.13231 2.13723 2.14112 2.15149 2.15529 2.16301 2.16512 2.17548 2.17728 2.18694 2.19161 2.19322 2.19661 2.20400 2.20919 2.21233 2.21800 2.22211 2.23281 2.23900 2.24389 2.25323 2.25653 2.27004 2.27634 2.28324 2.28426 2.28857 2.29322 2.30633 2.30770 2.31948 2.32147 2.32911 2.33755 2.33846 2.35283 2.35513 2.36282 2.36514 2.37357 2.38233 2.38749 2.40011 2.40698 2.41488 2.42632 2.42941 2.43806 2.44049 2.44921 2.46425 2.48057 2.48173 2.48504 2.49004 2.49907 2.51026 2.51732 2.52976 2.55236 2.55949 2.56265 2.56702 2.58225 2.58719 2.60029 2.61190 2.62219 2.63199 2.64124 2.64583 2.64856 2.65785 2.66087 2.67219 2.68172 2.68734 2.71168 2.71710 2.72280 2.72815 2.73267 2.73763 2.74655 2.74788 2.76119 2.76811 2.77366 2.77755 2.78914 2.79416 2.79860 2.80748 2.81308 2.81446 2.82361 2.82933 2.83252 2.83495 2.84047 2.84495 2.85281 2.85671 2.86006 2.86421 2.87058 2.87742 2.88310 2.89020 2.89596 2.89929 2.90120 2.91155 2.92170 2.92515 2.92931 2.93606 2.94204 2.94447 2.94569 2.95827 2.96391 2.97227 2.97576 2.98318 2.99208 3.00106 3.00226 3.00693 3.01500 3.02293 3.02670 3.03575 3.04002 3.05161 3.05895 3.06090 3.08260 3.08330 3.09344 3.09633 3.11378 3.11608 3.13041 3.13867 3.14077 3.14302 3.15315 3.16308 3.16575 3.17450 3.17824 3.18248 3.19590 3.20348 3.20646 3.21477 3.22149 3.22531 3.23137 3.23499 3.23955 3.24798 3.25984 3.26608 3.27936 3.28258 3.28415 3.29046 3.30866 3.31104 3.31368 3.31855 3.32452 3.33793 3.34335 3.34905 3.35635 3.36126 3.36645 3.36819 3.37789 3.37993 3.38626 3.39148 3.40240 3.40669 3.41198 3.42183 3.42917 3.43407 3.44403 3.44982 3.45698 3.46614 3.46913 3.47593 3.49082 3.49775 3.50483 3.50913 3.52306 3.52661 3.53525 3.54121 3.54846 3.55499 3.56828 3.57032 3.57421 3.57889 3.58903 3.59798 3.60402 3.61153 3.61580 3.62507 3.63627 3.64197 3.65081 3.66064 3.66401 3.67478 3.68148 3.69165 3.69777 3.70798 3.71374 3.71579 3.72413 3.73041 3.73620 3.73902 3.74878 3.75743 3.76721 3.78403 3.78508 3.79148 3.79817 3.82241 3.83798 3.84043 3.84703 3.86287 3.87638 3.88515 3.89803 3.91331 3.91676 3.93328 3.95802 3.97186 3.99326 3.99383 4.01016 4.02799 4.03781 4.05508 4.05870 4.06307 4.06829 4.08515 4.09020 4.09347 4.11537 4.12320 4.13050 4.13173 4.13860 4.14625 4.14944 4.16419 4.18139 4.18692 4.18817 4.19741 4.21815 4.22161 4.22706 4.23824 4.24655 4.24923 4.25293 4.27784 4.28169 4.29415 4.30094 4.30960 4.31486 4.31690 4.32264 4.32766 4.33027 4.34862 4.36040 4.36890 4.37883 4.38479 4.39053 4.41121 4.41634 4.41692 4.43270 4.44652 4.45767 4.46232 4.47031 4.48496 4.50352 4.51124 4.51821 4.53062 4.53337 4.54254 4.55499 4.60994 4.61738 4.61913 4.62108 4.62977 4.63425 4.63571 4.65187 4.65442 4.65634 4.66388 4.67461 4.68347 4.69137 4.69978 4.70262 4.70883 4.71785 4.72417 4.73027 4.73859 4.74322 4.74401 4.74938 4.75249 4.75889 4.77941 4.78595 4.79113 4.80363 4.80616 4.81875 4.85121 4.85794 4.87159 4.87670 4.89674 4.91756 4.91968 4.93107 4.94069 4.94265 4.95523 4.97204 4.97937 5.00095 5.01124 5.02371 5.06362 5.06968 5.10660 5.12310 5.14105 5.14663 5.15905 5.16120 5.16263 5.17527 5.18893 5.19249 5.20986 5.21766 5.22198 5.23044 5.24476 5.24638 5.25728 5.26215 5.26707 5.26827 5.27776 5.28790 5.29481 5.30596 5.31259 5.33631 5.34328 5.34876 5.35994 5.39759 5.40052 5.46018 5.48199 5.49439 5.52640 5.58659 5.59724 5.60031 5.61758 5.63307 5.64043 5.66013 5.66358 5.66893 5.68185 5.71303 5.76559 5.77247 5.79057 5.82160 5.83460 5.85793 5.87795 5.90157 5.91348 5.92897 5.94244 5.96015 5.98984 6.01272 6.03754 6.04824 6.07122 6.08650 6.26886 6.27506 6.31998 6.32869 6.37747 6.38814 6.42391 6.44820 6.45659 6.46087 6.46838 6.48688 6.49553 6.51665 6.52506 6.53143 6.57457 6.58163 6.59068 6.59253 6.60097 6.60759 6.60801 6.61470 6.61714 6.62122 6.64032 6.64534 6.68570 6.70561 6.70674 6.71652 6.71963 6.72399 6.73113 6.74522 6.74719 6.75207 6.77490 6.79264 6.80118 6.82074 6.82804 6.83649 6.84474 6.85380 6.86180 6.89003 6.89596 6.90103 6.92558 6.92683 6.95701 6.99876 7.04495 7.06044 7.08146 7.08461 7.09697 7.11290 7.12329 7.13503 7.14679 7.15346 7.15855 7.18532 7.20337 7.20839 7.22554 7.22850 7.24430 7.25956 7.26546 7.27554 7.28356 7.29026 7.29418 7.30458 7.30856 7.31158 7.31397 7.32378 7.32849 7.33334 7.34261 7.34989 7.36990 7.37449 7.38275 7.38465 7.38890 7.42370 7.42598 7.44078 7.47351 7.48457 7.49102 7.49319 7.50034 7.50192 7.51022 7.51585 7.53825 7.55599 7.56976 7.57582 7.59445 7.59474 7.59720 7.59915 7.61376 7.64069 7.65379 7.65546 7.68290 7.69113 7.70758 7.70971 7.73109 7.73709 7.75998 7.80275 7.83326 7.86994 7.88288 7.89230 7.91585 7.92762 7.93617 7.94047 7.94460 7.94932 7.97202 8.00487 8.03817 8.06184 8.07325 8.09521 8.10248 8.11469 8.14024 8.14771 8.17993 8.25251 8.26298 8.29081 8.29432 8.29724 8.30272 8.31041 8.38170 8.41508 8.41610 8.41962 8.45780 8.49824 8.53125 8.62597 8.77905 8.83545 8.97185 9.01098 9.08957 9.12651 9.33404 9.35001 10.04960 10.09949 10.14483 10.30699 10.33615 10.40475 10.53930 10.55827 10.62875 10.71143 10.76579 10.82303 11.08629 11.17408 11.25296 11.37487 11.48380 11.49687 14.37973 14.39688 14.43805 14.47874 14.48634 14.52808 14.62404 14.64988 14.67661 14.84262 14.88324 15.01816 15.06719 15.09595 15.14002 19.28045 19.28711 19.30566 19.30714 19.32693 19.33437 19.34154 19.34687 19.34810 19.35168 19.36088 19.36281 19.36880 19.37577 19.39744 19.43391 19.45575 19.45814 19.47175 19.47712 19.62083 19.71666 19.74343 19.84288 19.85791 24.05611 24.06009 24.26799 24.43721 24.88664 24.91285 24.91436 24.96625 24.98073 25.08982 25.17770 25.20190 25.33171 25.33544 25.38444 25.38830 25.39090 25.65080 25.75864 25.76084 26.09593 26.13200 26.30516 26.96912 27.17078 27.40918 28.34941 28.37034 28.58472 36.08056 36.14528 36.37364 50.31240 50.43203 50.48135 66.96527 67.00473 67.01502 67.02343 67.04401 216.06281 216.10834 216.16626 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 F F F F F O O O N N N C C C C C C C C C C C C C C C C C C C C H H H H H H H H H -0.430761 -0.404687 -0.319044 -0.465624 -0.448346 -0.530543 -0.539231 -0.547870 -0.526200 -0.764817 -0.748164 -0.984843 -0.827860 -0.890880 0.811607 -0.020141 -0.415444 -0.432433 0.533611 0.595945 0.608825 0.127784 0.601909 1.582698 -0.250936 1.448896 0.154503 0.744587 1.442637 -0.283813 -0.197079 -0.128114 -0.207915 -0.007554 0.199019 0.148404 0.342554 0.152341 0.168097 0.253247 0.154763 0.156664 0.144207 -0.00000 -8.0543 0.8707 -0.7061 8.1320 -147.6032 -216.0692 -221.6709 -15.9335 1.9907 0.3891 47.5113 -20.9548 -26.5565 -15.9335 1.9907 0.3891 -788.5764 34.4373 -22.7254 -24.5120 46.0378 0.8151 37.9306 9.4545 1.3308 7.0840 -27671.7383 -2917.0859 -2353.4024 -1357.2141 383.7859 127.6686 9.9999 -5.7796 22.9521 -6428.0499 -6350.7450 -887.2885 119.5573 -27.3642 75.9636 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-GANDULLAS ALCAMI 2024-08-24T00:00:00.000 0 Single Point Chlorfluazuron CONF4 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-3038.0411398 RMSD=2.134e-09 Dipole=3.1697723,-0.3461004,-0.2620009 Quadrupole=35.2337071,-15.4376131,-19.796094,-12.0297949,-1.4782429,-0.2063212 PG=C01 [X(C20H9Cl3F5N3O3)] 0 -1.9036851561 0.7180944059 2.9684600038 0 -1.539364523 1.7468275577 -2.3389765432 0 -5.6225051926 2.6780718762 0.353261082 0 -7.7632587302 -2.2764596541 0.143616237 0 -7.2665747937 -2.1487721129 -1.9655773014 0 -6.2079611374 -3.5568671731 -0.6884783115 0 7.2250423509 1.4459288166 -1.5773644776 0 6.543420876 -2.3701146861 1.1221332327 0 -2.8907338872 1.589971283 0.3065349759 0 3.0436666168 -0.1958084093 2.5409583862 0 4.7403146441 0.2002781403 -1.2300468459 0 2.559109829 0.3706512989 0.3557875899 0 4.7289983941 -0.2170268392 1.0200667217 0 -3.4255936923 -0.6088792693 -0.1553968928 0 1.1805984609 0.6412283998 0.4069604087 0 -1.5588664492 1.2245745221 0.327384782 0 0.4172015239 0.5538137103 1.5759347575 0 0.5725551468 1.0153354943 -0.7986764266 0 -0.9403451544 0.8452599666 1.5167370058 0 -0.7832374787 1.3003714572 -0.8290670143 0 -3.8156158507 0.6300133695 0.0616242619 0 -5.7073425447 -1.2575746103 -0.4250789129 0 -5.1689976858 1.0241951924 0.054352135 0 6.7973277825 -0.4537738206 -0.238507775 0 -6.1232149905 0.0589614473 -0.1948375808 0 3.3645642675 -0.0173110165 1.3836458145 0 -4.3500975055 -1.543721147 -0.3965829995 0 5.3314405327 -0.1306259864 -0.2141304775 0 -6.7285107777 -2.3130568487 -0.7304037878 0 7.6857423419 0.3387451788 -0.9767038926 0 7.3557351575 -1.5687822313 0.3921097838 0 9.0357567501 0.0480920694 -1.0853988232 0 8.6941347877 -1.9068560395 0.3001539816 0 9.5338367504 -1.0847463337 -0.4469911814 0 0.8700138794 0.2628136786 2.5097211273 0 1.1501698572 1.0826264219 -1.7120869733 0 3.0263754263 0.4597623414 -0.5458662466 0 -7.1728961292 0.3234298897 -0.2040504317 0 -3.988012716 -2.5503818554 -0.5667676742 0 5.2763658994 -0.5330284501 1.8088203441 0 9.6700000849 0.7085885652 -1.6616425225 0 9.0524875666 -2.7945464013 0.8040482547 0 10.5859868882 -1.3276341279 -0.5297981918