Gaussian 16 GINC-CIBELES2-316 PAULAPLA Optimization triflumizole_E CONF319 gas EM64L-G16RevC.01 10-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 38 38 89 89 604 (5D, 7F) 6-311+G(d,p) 108 108 C1[X(C15H15ClF3N3O)] C1[X(C15H15ClF3N3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 330.62820959999976 0 1 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2941243/Gau-21863.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2941243/" chk=/home/paulapla/almacen/ADAMA/censo_results/triflumizole_E/gas/CONF319/opt-b #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 triflumizole_E CONF319 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 35 19 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -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 1 2 3 4 5 5 6 6 6 7 7 8 8 9 10 10 11 11 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 21 21 23 22 20 20 20 10 11 9 17 19 9 12 19 23 10 24 25 13 26 27 14 15 18 28 29 16 20 21 30 22 31 23 32 33 34 35 36 22 37 38 1.7252 1.3331 1.3395 1.336 1.3923 1.4093 1.3901 1.3815 1.3759 1.2617 1.3867 1.2905 1.3732 1.5107 1.0968 1.103 1.5139 1.1001 1.1014 1.4003 1.3931 1.522 1.0921 1.0925 1.3871 1.5008 1.3828 1.082 1.3841 1.0804 1.354 1.0747 1.0891 1.0912 1.0911 1.0765 1.3844 1.0812 1.0779 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 10 9 9 17 9 19 6 6 7 5 5 5 9 9 24 5 5 5 13 13 26 7 7 14 11 11 11 18 18 28 12 12 16 12 12 21 14 14 22 6 6 23 13 13 13 33 33 34 6 6 8 2 2 2 3 3 4 15 15 22 1 1 16 8 8 17 5 6 6 6 7 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 11 17 19 19 12 23 7 10 10 9 24 25 24 25 25 13 26 27 26 27 27 14 15 15 18 28 29 28 29 29 16 20 20 21 30 30 22 31 31 23 32 32 33 34 35 34 35 35 8 36 36 3 4 14 4 14 14 22 37 37 16 21 21 17 38 38 113.2364 125.2098 128.4929 106.2137 123.3898 105.7131 117.4186 116.6068 125.9666 108.9683 111.92 111.8424 108.6824 108.8776 106.4514 109.2228 110.3356 110.4166 110.1509 110.0205 106.6713 121.3573 119.9013 118.5859 111.523 109.1888 109.2333 110.121 110.0016 106.6447 120.2589 119.478 120.2619 121.1766 118.9722 119.8424 120.064 120.6151 119.3209 105.3384 121.7602 132.9005 110.9929 111.646 111.6558 107.3476 107.3677 107.6071 111.8608 122.9575 125.1799 107.2829 107.1795 111.9558 106.9473 111.3164 111.8731 119.5206 120.1385 120.3406 119.6513 119.9593 120.389 110.8725 121.4139 127.7133 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 11 11 11 10 10 10 17 17 19 19 9 9 19 19 9 9 17 17 12 12 9 9 23 23 19 19 6 6 6 7 7 7 5 5 5 26 26 26 27 27 27 7 7 15 15 7 7 14 14 11 11 11 28 28 28 29 29 29 12 12 20 20 12 12 12 16 16 16 12 12 30 30 14 14 31 31 6 6 32 32 15 15 37 37 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 21 21 21 21 10 10 10 11 11 11 9 9 9 9 17 17 17 17 19 19 19 19 9 9 12 12 19 19 23 23 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 18 18 18 18 18 18 18 18 18 16 16 16 16 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 22 22 22 22 9 24 25 13 26 27 7 10 7 10 23 32 23 32 8 36 8 36 6 10 14 15 6 36 17 38 5 24 25 5 24 25 18 28 29 18 28 29 18 28 29 16 20 16 20 21 30 21 30 33 34 35 33 34 35 33 34 35 22 31 22 31 2 3 4 2 3 4 22 37 22 37 1 21 1 21 8 38 8 38 1 16 1 16 -178.5767 -58.3503 61.0019 -178.5625 60.2183 -57.4537 -6.5481 174.4197 169.6613 -9.3709 177.0613 -3.2423 0.1503 179.8467 -176.6805 3.7848 0.0948 -179.4399 -178.9849 -0.054 -98.949 85.6498 -0.2944 179.2279 0.396 -179.3917 -53.3465 -175.5498 68.8829 127.7149 5.5117 -110.0557 179.8908 -58.1853 58.0869 -58.7779 63.146 179.4182 58.5415 -179.5346 -63.2624 -176.249 4.1416 -0.789 179.6017 176.2917 -2.6285 0.7637 -178.1565 -179.7729 -60.0451 60.4673 58.8432 178.571 -60.9166 -58.4144 61.3133 -178.1742 0.3166 -179.6301 179.9229 -0.0238 -59.384 60.6923 -179.7156 121.0067 -118.9171 0.675 -0.2579 179.9333 178.653 -1.1558 179.9685 0.2039 -0.0841 -179.8487 -0.3364 179.4346 -179.9841 -0.2131 -179.999 -0.2351 -0.1905 179.5733 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 627 A 604 A 965 627 2132.7566711014 38 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= 604 RedAO= T EigKep= 1.47D-06 NBF= 604 NBsUse= 602 1.00D-06 EigRej= 8.89D-07 NBFU= 602 Berny optimization. local minimum Step number 15 out of a maximum of 199 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00164 0.00396 0.00474 0.00585 0.00690 0.00948 0.01500 0.01600 0.01699 0.01767 0.02028 0.02178 0.02248 0.02251 0.02264 0.02280 0.02296 0.02300 0.02307 0.02326 0.02419 0.02522 0.03006 0.03604 0.03728 0.04527 0.04958 0.05379 0.05528 0.05591 0.05678 0.06901 0.07466 0.08285 0.10647 0.11283 0.11384 0.11466 0.12156 0.13698 0.14012 0.15312 0.15839 0.15999 0.16000 0.16001 0.16002 0.16016 0.16045 0.16086 0.20520 0.21947 0.22177 0.22263 0.22448 0.23379 0.23645 0.24551 0.24569 0.24769 0.24901 0.24959 0.24997 0.25008 0.25049 0.25379 0.27200 0.29189 0.30189 0.30308 0.31095 0.31589 0.32678 0.33408 0.33586 0.33789 0.34047 0.34537 0.34594 0.34681 0.34811 0.35008 0.35766 0.35836 0.36002 0.36053 0.36278 0.36717 0.39082 0.41137 0.43298 0.43723 0.44838 0.46008 0.46723 0.47083 0.47847 0.48176 0.48577 0.49980 0.50580 0.52939 0.53442 0.56765 0.57084 0.58868 0.66926 0.88488 -4.28032484e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 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 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 3.31854 2.55110 2.56767 2.55467 2.66379 2.69704 2.64649 2.63690 2.62844 2.40201 2.64250 2.45865 2.62450 2.86848 2.06950 2.08421 2.87092 2.07948 2.08157 2.66156 2.64813 2.89342 2.06725 2.06806 2.63516 2.84858 2.62481 2.04720 2.62379 2.04252 2.57039 2.03131 2.06405 2.06832 2.06809 2.03365 2.62967 2.04571 2.03818 1.97638 2.19056 2.23956 1.85170 2.15404 1.84478 2.05541 2.03861 2.18879 1.91337 1.94232 1.93890 1.88649 1.90296 1.87849 1.89114 1.91202 1.91749 1.93068 1.93302 1.87960 2.12874 2.08637 2.06432 1.95486 1.89037 1.89563 1.92877 1.92701 1.86442 2.10495 2.09202 2.08609 2.11640 2.06991 2.09684 2.08987 2.09521 2.09811 1.84131 2.11224 2.32963 1.93488 1.94465 1.94329 1.87850 1.87855 1.88105 1.95104 2.12709 2.20452 1.86388 1.86643 1.96179 1.86121 1.94600 1.95830 2.08468 2.10249 2.09600 2.08642 2.09077 2.10600 1.93593 2.11519 2.23205 -2.97003 -0.88403 1.20880 3.13081 1.02302 -1.03844 -0.06585 3.10365 3.01164 -0.10205 3.08953 -0.05332 0.00028 3.14061 -3.08472 0.08994 0.00257 -3.10596 -3.12406 -0.01303 -1.63616 1.60004 -0.00421 3.10253 0.00441 -3.13380 -0.92141 -3.04133 1.20464 2.25049 0.13056 -1.90666 -3.13273 -1.00121 1.01754 -1.03656 1.09496 3.11371 1.04614 -3.10553 -1.08678 -3.06458 0.09430 -0.01645 -3.14075 3.06990 -0.06283 0.01943 -3.11330 3.14093 -1.05056 1.05007 1.03150 3.12319 -1.05936 -1.02735 1.06434 -3.11821 0.00534 -3.13484 3.12970 -0.01048 -1.03139 1.06094 -3.13575 2.12731 -2.06355 0.02295 -0.01115 3.13513 3.12145 -0.01545 -3.14035 0.00335 -0.00018 -3.13965 -0.00285 3.13509 3.14024 -0.00501 -3.14000 -0.00053 -0.00308 3.13639 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 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 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00002 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 0.00002 0.00002 0.00002 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00002 0.00000 -0.00001 -0.00000 -0.00001 -0.00002 0.00001 0.00000 0.00002 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00001 0.00002 -0.00001 0.00003 -0.00001 0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 -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 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00002 0.00000 0.00000 -0.00001 -0.00006 -0.00007 -0.00008 -0.00004 -0.00004 -0.00004 -0.00003 0.00001 -0.00014 -0.00010 -0.00008 -0.00009 0.00001 -0.00000 0.00011 0.00009 0.00002 0.00000 -0.00001 -0.00004 0.00012 0.00011 -0.00003 -0.00002 0.00004 0.00002 -0.00007 -0.00006 -0.00004 -0.00003 -0.00002 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00002 -0.00002 -0.00000 -0.00002 0.00000 -0.00001 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 0.00001 0.00002 -0.00006 -0.00006 -0.00006 -0.00007 -0.00007 -0.00007 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00003 -0.00001 -0.00002 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00002 -0.00000 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00001 -0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00003 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00002 -0.00001 0.00003 -0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00001 -0.00002 0.00000 0.00000 -0.00001 -0.00005 -0.00005 -0.00006 -0.00004 -0.00004 -0.00004 -0.00003 0.00000 -0.00015 -0.00012 -0.00009 -0.00010 0.00001 0.00000 0.00011 0.00010 0.00001 -0.00000 -0.00001 -0.00004 0.00012 0.00012 -0.00003 -0.00002 0.00004 0.00002 -0.00005 -0.00004 -0.00002 -0.00001 -0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00002 -0.00002 -0.00002 -0.00000 -0.00002 0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 0.00001 0.00001 0.00001 0.00000 0.00001 0.00001 0.00001 -0.00000 0.00000 0.00002 0.00002 -0.00006 -0.00006 -0.00005 -0.00007 -0.00008 -0.00007 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00003 -0.00001 -0.00002 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 3.31853 2.55110 2.56766 2.55467 2.66378 2.69703 2.64649 2.63691 2.62846 2.40201 2.64250 2.45866 2.62450 2.86849 2.06950 2.08422 2.87092 2.07948 2.08157 2.66155 2.64814 2.89342 2.06725 2.06806 2.63516 2.84861 2.62481 2.04720 2.62380 2.04252 2.57039 2.03131 2.06406 2.06832 2.06809 2.03365 2.62968 2.04571 2.03818 1.97639 2.19055 2.23956 1.85170 2.15404 1.84478 2.05540 2.03863 2.18877 1.91339 1.94231 1.93892 1.88648 1.90295 1.87847 1.89114 1.91202 1.91749 1.93068 1.93302 1.87959 2.12874 2.08638 2.06432 1.95486 1.89037 1.89563 1.92877 1.92701 1.86442 2.10495 2.09202 2.08609 2.11640 2.06990 2.09684 2.08988 2.09521 2.09810 1.84132 2.11224 2.32962 1.93489 1.94465 1.94329 1.87850 1.87855 1.88105 1.95104 2.12709 2.20452 1.86388 1.86643 1.96178 1.86121 1.94600 1.95830 2.08469 2.10249 2.09600 2.08643 2.09078 2.10598 1.93594 2.11520 2.23205 -2.97008 -0.88408 1.20873 3.13077 1.02298 -1.03848 -0.06587 3.10366 3.01149 -0.10216 3.08944 -0.05342 0.00029 3.14061 -3.08461 0.09004 0.00258 -3.10596 -3.12407 -0.01307 -1.63604 1.60015 -0.00424 3.10251 0.00445 -3.13378 -0.92145 -3.04138 1.20462 2.25047 0.13055 -1.90664 -3.13274 -1.00123 1.01753 -1.03656 1.09496 3.11371 1.04612 -3.10555 -1.08679 -3.06459 0.09428 -0.01644 -3.14076 3.06990 -0.06282 0.01942 -3.11330 3.14094 -1.05055 1.05007 1.03150 3.12320 -1.05936 -1.02734 1.06435 -3.11820 0.00534 -3.13484 3.12972 -0.01046 -1.03145 1.06088 -3.13580 2.12723 -2.06363 0.02288 -0.01114 3.13514 3.12145 -0.01546 -3.14035 0.00336 -0.00018 -3.13966 -0.00287 3.13508 3.14022 -0.00501 -3.14001 -0.00054 -0.00308 3.13639 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000020 0.000003 0.000454 0.000122 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.228523e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 1 2 3 4 5 5 6 6 6 7 7 8 8 9 10 10 11 11 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 21 21 23 22 20 20 20 10 11 9 17 19 9 12 19 23 10 24 25 13 26 27 14 15 18 28 29 16 20 21 30 22 31 23 32 33 34 35 36 22 37 38 1.7561 1.35 1.3588 1.3519 1.4096 1.4272 1.4005 1.3954 1.3909 1.2711 1.3984 1.3011 1.3888 1.5179 1.0951 1.1029 1.5192 1.1004 1.1015 1.4084 1.4013 1.5311 1.0939 1.0944 1.3945 1.5074 1.389 1.0833 1.3884 1.0809 1.3602 1.0749 1.0923 1.0945 1.0944 1.0762 1.3916 1.0825 1.0786 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 9 9 17 9 19 6 6 7 5 5 5 9 9 24 5 5 5 13 13 26 7 7 14 11 11 11 18 18 28 12 12 16 12 12 21 14 14 22 6 6 23 13 13 13 33 33 34 6 6 8 2 2 2 3 3 4 15 15 22 1 1 16 8 8 17 5 6 6 6 7 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 11 17 19 19 12 23 7 10 10 9 24 25 24 25 25 13 26 27 26 27 27 14 15 15 18 28 29 28 29 29 16 20 20 21 30 30 22 31 31 23 32 32 33 34 35 34 35 35 8 36 36 3 4 14 4 14 14 22 37 37 16 21 21 17 38 38 113.2383 125.5099 128.3172 106.0947 123.4176 105.6981 117.7664 116.8036 125.4084 109.6278 111.2866 111.0909 108.0879 109.0315 107.6293 108.3542 109.5505 109.8641 110.6197 110.7539 107.6929 121.9679 119.5402 118.277 112.0054 108.3102 108.6114 110.5104 110.4096 106.8236 120.6046 119.8641 119.524 121.261 118.597 120.1401 119.7407 120.0466 120.2127 105.4995 121.0223 133.4781 110.8606 111.4204 111.3423 107.6299 107.633 107.7764 111.7862 121.8735 126.3096 106.7925 106.9383 112.4024 106.6392 111.4974 112.2022 119.4436 120.4639 120.092 119.5429 119.7924 120.6647 110.9209 121.1915 127.8873 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 11 11 11 10 10 10 17 17 19 19 9 9 19 19 9 9 17 17 12 12 9 9 23 23 19 19 6 6 6 7 7 7 5 5 5 26 26 26 27 27 27 7 7 15 15 7 7 14 14 11 11 11 28 28 28 29 29 29 12 12 20 20 12 12 12 16 16 16 12 12 30 30 14 14 31 31 6 6 32 32 15 15 37 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 21 21 21 10 10 10 11 11 11 9 9 9 9 17 17 17 17 19 19 19 19 9 9 12 12 19 19 23 23 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 18 18 18 18 18 18 18 18 18 16 16 16 16 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 22 22 22 9 24 25 13 26 27 7 10 7 10 23 32 23 32 8 36 8 36 6 10 14 15 6 36 17 38 5 24 25 5 24 25 18 28 29 18 28 29 18 28 29 16 20 16 20 21 30 21 30 33 34 35 33 34 35 33 34 35 22 31 22 31 2 3 4 2 3 4 22 37 22 37 1 21 1 21 8 38 8 38 1 16 1 -170.17 -50.651 69.2589 179.382 58.6146 -59.4981 -3.7727 177.8263 172.5542 -5.8468 177.0171 -3.0553 0.0159 179.9435 -176.7417 5.1532 0.147 -177.9582 -178.9954 -0.7465 -93.7449 91.6753 -0.2413 177.7618 0.2529 -179.5536 -52.7927 -174.2556 69.0207 128.9433 7.4803 -109.2433 -179.4922 -57.3653 58.3007 -59.3903 62.7367 178.4026 59.9394 -177.9337 -62.2677 -175.5878 5.403 -0.9422 -179.9515 175.8925 -3.5999 1.1132 -178.3791 179.9619 -60.1928 60.1644 59.1004 178.9457 -60.697 -58.863 60.9823 -178.6605 0.306 -179.6131 179.3186 -0.6005 -59.0943 60.7873 -179.6651 121.8857 -118.2327 1.3149 -0.6386 179.63 178.846 -0.8854 -179.929 0.1922 -0.0101 -179.8889 -0.163 179.6273 179.9224 -0.2873 -179.9089 -0.0304 -0.1765 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0389700703 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.050244 0.000000 6.027934 2.152299 0.000000 5.148775 2.148096 2.149958 0.000000 7.561876 4.894911 3.251437 5.323017 0.000000 8.050959 4.254425 3.914162 5.738150 2.830409 0.000000 5.896169 2.872971 2.948852 4.185702 3.425592 2.267067 0.000000 10.245536 6.113596 5.778364 7.691424 4.114997 2.209252 4.449579 0.000000 6.712785 3.654906 3.086047 4.817452 2.363930 1.390118 1.261691 3.553538 0.000000 6.634235 4.587614 3.319625 5.168515 1.392331 2.468944 2.472434 4.214535 1.510692 0.000000 7.899163 6.033880 4.142651 6.064948 1.409300 4.177140 4.655714 5.210692 3.656182 2.339444 0.000000 4.511358 2.950696 2.952802 3.642663 3.968860 3.580796 1.386682 5.782630 2.332474 2.912801 4.941613 0.000000 9.114494 6.700585 4.727427 6.653689 2.383879 4.977350 5.764423 5.587079 4.738321 3.657038 1.513888 6.163358 0.000000 3.986054 2.350718 2.346943 2.351894 4.422315 4.496657 2.429905 6.683293 3.290252 3.690824 5.273466 1.400258 6.325859 0.000000 3.980981 4.253531 4.255422 4.752880 4.753055 4.399311 2.406132 6.506350 3.174651 3.481506 5.533813 1.393061 6.913848 2.401669 0.000000 2.693505 3.430920 3.414224 2.697947 5.469345 5.815902 3.691351 8.016976 4.541487 4.706838 6.090790 2.417069 7.176517 1.387094 2.765936 0.000000 8.646184 4.202357 4.488788 6.048430 4.113207 1.381503 2.770641 2.245841 2.460801 3.785688 5.490225 4.151791 6.156613 4.992319 5.018702 6.343134 0.000000 9.775275 8.033978 5.968217 7.722044 3.738553 6.414514 7.094129 6.947596 6.094266 4.847135 2.509818 7.336327 1.522044 7.440332 7.944296 8.112132 7.636975 0.000000 9.176078 5.504099 4.877730 6.866653 2.911970 1.375860 3.575119 1.290543 2.491245 2.942467 4.033587 4.808712 4.616422 5.722458 5.507585 7.009601 2.205222 5.985595 0.000000 5.193401 1.333135 1.339452 1.336011 4.328616 4.444374 2.864416 6.461761 3.513847 4.029218 5.261722 2.506287 6.002027 1.500821 3.777519 2.504942 4.787940 7.207200 5.622553 0.000000 2.697839 4.935331 4.927500 4.936953 5.740954 5.740601 3.677527 7.868631 4.459331 4.546050 6.318750 2.418104 7.700519 2.779334 1.382810 2.402273 6.363066 8.577644 6.834430 4.280155 0.000000 1.725235 4.598088 4.581439 4.082000 6.045541 6.334723 4.171123 8.532876 5.010559 5.062325 6.564226 2.786130 7.813916 2.400722 2.390638 1.384126 6.924711 8.650285 7.485986 3.777406 1.384369 0.000000 9.957914 5.421870 5.569253 7.246246 4.697111 2.175204 4.064328 1.373159 3.523483 4.603789 5.973271 5.450913 6.434902 6.304273 6.252871 7.662876 1.354014 7.883702 2.123893 6.021602 7.619193 8.233661 0.000000 5.641553 4.469124 3.116295 4.668682 2.069199 3.372291 2.604960 5.273194 2.132257 1.096755 2.624601 2.475808 4.025024 3.070731 2.914568 3.865280 4.580381 5.039809 4.017098 3.655909 3.745502 4.147499 5.545504 0.000000 7.076543 5.561623 4.416643 6.207119 2.073140 2.810727 3.109274 4.219061 2.139394 1.102986 2.646357 3.552625 4.022939 4.533423 3.755492 5.446102 4.142942 5.047022 2.963658 5.052121 4.818998 5.563181 4.787774 1.761997 0.000000 7.126252 5.961086 3.973690 5.642442 2.067337 4.802249 4.775322 6.123008 3.995932 2.621021 1.100092 4.747389 2.156272 4.891734 5.259492 5.497969 6.101450 2.750292 4.899293 4.992170 5.829725 5.932868 6.756192 2.425169 3.031728 0.000000 8.278470 6.837231 5.072720 6.979932 2.069319 4.441454 5.068845 5.269181 4.001070 2.601954 1.101375 5.377365 2.155585 5.915202 5.743344 6.690691 5.803704 2.746934 4.098723 6.099449 6.540242 6.970899 6.178389 2.964512 2.424836 1.765901 0.000000 8.959752 6.162130 4.152771 5.983314 2.616937 5.086708 5.706834 5.829798 4.815720 3.935274 2.138074 6.070034 1.092096 6.018867 6.982312 6.871703 6.141761 2.157061 4.916852 5.471832 7.730408 7.674509 6.502094 4.208522 4.549000 2.497747 3.054725 0.000000 9.893117 7.004779 5.205028 7.247661 2.617027 4.747821 5.950637 4.930524 4.817863 3.921313 2.138956 6.569008 1.092519 6.868750 7.349450 7.850199 5.845700 2.155868 4.124071 6.488733 8.274149 8.495335 5.901616 4.537289 4.171180 3.055505 2.498143 1.752081 0.000000 4.835870 4.965861 4.982988 5.720825 4.901389 4.227289 2.621377 6.159061 3.185262 3.529900 5.696793 2.138121 7.123721 3.380509 1.081999 3.847742 4.839014 8.156219 5.214851 4.641781 2.138212 3.371949 5.961864 3.200545 3.507238 5.570503 5.723944 7.329612 7.444562 0.000000 2.822292 3.682924 3.660611 2.351729 6.086826 6.615895 4.574002 8.785860 5.385098 5.505807 6.625108 3.400239 7.566626 2.148903 3.846272 1.080426 7.101148 8.435391 7.797141 2.718481 3.375465 2.132550 8.410212 4.655059 6.321876 5.955469 7.322608 7.137108 8.302490 4.928060 0.000000 8.192995 3.568247 4.351868 5.580069 4.704845 2.150965 2.560435 3.303961 2.758263 4.237924 6.109009 3.832160 6.837363 4.570511 4.741359 5.886260 1.074735 8.326473 3.229592 4.360308 6.019310 6.500846 2.229262 4.835596 4.709745 6.577066 6.507530 6.713002 6.642694 4.668574 6.610721 0.000000 10.699631 8.637458 6.583168 8.307272 4.542252 7.096205 7.911894 7.423276 6.902143 5.759532 3.459859 8.219769 2.165774 8.254296 8.914207 8.954530 8.235221 1.089131 6.587321 7.869193 9.566922 9.580108 8.376685 6.009129 6.006050 3.752188 3.747287 2.498217 2.493954 9.147089 9.208195 8.945432 0.000000 10.126769 8.688686 6.679169 8.489414 4.074291 6.631990 7.418042 7.026168 6.353086 5.027136 2.781336 7.683507 2.175449 7.949731 8.142273 8.612635 7.905342 1.091188 6.068745 7.874618 8.791453 9.007630 8.076387 5.272795 4.986301 3.115759 2.565516 3.074207 2.522880 8.228258 9.030074 8.663946 1.756591 0.000000 9.218064 8.024226 5.894679 7.436353 4.077659 6.883008 7.227263 7.688945 6.355517 5.042807 2.784727 7.264309 2.175501 7.228792 7.816541 7.731466 8.130496 1.091098 6.638238 7.059180 8.285166 8.239622 8.529233 4.996692 5.313079 2.573566 3.117200 2.522042 3.073434 8.129753 7.970526 8.721145 1.756745 1.761098 0.000000 9.253287 6.086666 5.106282 7.181400 2.475527 2.159456 4.059296 2.103592 2.833504 2.697433 3.308978 5.115404 3.890458 6.008088 5.708979 7.209620 3.237491 5.143419 1.076474 5.985524 6.961651 7.621381 3.171380 3.786538 2.514542 4.263366 3.197521 4.390071 3.371789 5.410717 7.991258 4.216825 5.781333 5.111993 5.840041 0.000000 2.848015 5.987021 5.980544 5.990103 6.509279 6.486673 4.544717 8.531770 5.252101 5.253337 6.989588 3.395539 8.427369 3.860564 2.140713 3.383090 7.120263 9.214184 7.504390 5.361383 1.081240 2.144243 8.326298 4.473487 5.334199 6.489689 7.072458 8.551779 8.997660 2.464188 4.267380 6.807908 10.240601 9.328055 8.902946 7.580334 0.000000 10.807225 6.030104 6.408774 7.962120 5.740409 3.230035 4.951584 2.142549 4.543812 5.675768 7.008035 6.329089 7.379652 7.140856 7.129018 8.497889 2.186539 8.825623 3.145503 6.785159 8.486183 9.090583 1.077941 6.600307 5.853901 7.805414 7.217900 7.404306 6.784382 6.821908 9.216368 2.745785 9.252578 9.027168 9.505864 4.152243 9.183532 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2976486 0.1426111 0.1239645 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 6.111961 0.000000 6.068414 2.174519 0.000000 5.175727 2.171042 2.173871 0.000000 7.646995 4.758037 3.079973 5.200432 0.000000 8.130031 4.248115 3.933836 5.765901 2.863219 0.000000 5.952132 2.910865 3.008170 4.240802 3.465072 2.288135 0.000000 10.346645 6.117453 5.795190 7.722532 4.134440 2.229505 4.494306 0.000000 6.782324 3.616052 3.056440 4.806497 2.393459 1.400462 1.271090 3.582837 0.000000 6.698275 4.479500 3.159506 5.061305 1.409618 2.486488 2.481054 4.244518 1.517936 0.000000 7.854109 5.770140 3.791284 5.732323 1.427214 4.262392 4.662229 5.342286 3.690843 2.368864 0.000000 4.556398 2.983206 2.984767 3.675862 4.006669 3.611916 1.398352 5.836435 2.351350 2.921587 4.905097 0.000000 9.080414 6.409439 4.397194 6.309283 2.389669 5.053034 5.774240 5.704560 4.768104 3.681356 1.519226 6.137035 0.000000 4.022345 2.376092 2.370574 2.374851 4.394833 4.520311 2.454493 6.723651 3.287493 3.640910 5.111185 1.408434 6.179062 0.000000 4.019523 4.295319 4.290253 4.785692 4.867562 4.455069 2.418961 6.590379 3.235395 3.574733 5.605904 1.401332 6.989173 2.411934 0.000000 2.723261 3.459637 3.430967 2.705840 5.466891 5.852956 3.722802 8.070332 4.558626 4.685978 5.935194 2.434755 7.034363 1.394469 2.782511 0.000000 8.734165 4.315481 4.643541 6.194454 4.180326 1.395388 2.804135 2.264516 2.485671 3.819042 5.599541 4.197588 6.269397 5.072487 5.042402 6.424661 0.000000 9.652129 7.664719 5.548466 7.232659 3.762917 6.523794 7.096484 7.136628 6.138621 4.894212 2.528951 7.279318 1.531132 7.219063 8.009618 7.874132 7.776027 0.000000 9.268695 5.455372 4.825739 6.839739 2.907013 1.390911 3.611250 1.301064 2.512250 2.961692 4.139891 4.852189 4.697240 5.733211 5.602744 7.038458 2.226623 6.132737 0.000000 5.225119 1.349983 1.358751 1.351875 4.210110 4.458211 2.904281 6.485066 3.485924 3.913489 4.978079 2.523946 5.721789 1.507404 3.798311 2.507691 4.912820 6.829640 5.591792 0.000000 2.729229 4.979500 4.956450 4.962343 5.850645 5.799319 3.698142 7.955389 4.518387 4.631457 6.363274 2.431705 7.752913 2.789960 1.388992 2.415582 6.398024 8.602134 6.928392 4.297288 0.000000 1.756098 4.633514 4.600318 4.094143 6.101908 6.382623 4.196286 8.602982 5.048846 5.095476 6.504021 2.800307 7.766320 2.406924 2.401251 1.388449 6.982352 8.533190 7.547580 3.784562 1.391561 0.000000 10.053074 5.509086 5.691306 7.368979 4.752391 2.193542 4.104595 1.388823 3.552299 4.639237 6.106187 5.502662 6.569113 6.377668 6.296455 7.741313 1.360190 8.065973 2.144621 6.124077 7.670984 8.298340 0.000000 5.704135 4.323915 2.898697 4.507395 2.075374 3.381281 2.597958 5.298408 2.129712 1.095132 2.585048 2.467846 3.996207 2.980879 3.021638 3.816264 4.604598 5.013239 4.032295 3.486293 3.845897 4.176623 5.573202 0.000000 7.131952 5.479706 4.257386 6.101878 2.079027 2.830532 3.115387 4.260463 2.147650 1.102917 2.727267 3.556470 4.087114 4.482165 3.847057 5.418480 4.163158 5.165842 3.004503 4.945225 4.901740 5.588914 4.818095 1.774076 0.000000 7.017004 5.551649 3.472904 5.146056 2.073393 4.810929 4.688679 6.193469 3.957094 2.623766 1.100412 4.618210 2.167125 4.606033 5.271655 5.229376 6.119709 2.782033 4.951215 4.555952 5.822205 5.796433 6.806527 2.359116 3.119927 0.000000 8.179498 6.622766 4.737476 6.649914 2.078136 4.593857 5.105718 5.501613 4.074968 2.635791 1.101518 5.344520 2.169650 5.746138 5.814061 6.506134 5.978373 2.788886 4.301580 5.831563 6.562483 6.873614 6.395526 2.906339 2.527386 1.777924 0.000000 8.958364 5.796047 3.813877 5.630829 2.596729 5.059746 5.653805 5.814886 4.774061 3.923175 2.132836 6.011436 1.093941 5.862071 7.025765 6.742941 6.148733 2.171362 4.874939 5.165921 7.773930 7.640165 6.513327 4.171621 4.570499 2.494752 3.058551 0.000000 9.890720 6.825774 4.987191 7.022530 2.608995 4.867034 6.010100 5.090883 4.881224 3.939996 2.137034 6.588249 1.094368 6.792023 7.445347 7.770339 6.020515 2.170411 4.232324 6.314365 8.344076 8.483861 6.098158 4.507495 4.201709 3.059657 2.498932 1.757082 0.000000 4.877091 5.007204 5.017225 5.755147 5.053141 4.288527 2.623631 6.255229 3.260647 3.666793 5.852721 2.142569 7.274422 3.390413 1.083330 3.865701 4.832462 8.328599 5.338801 4.663342 2.148023 3.386011 5.986708 3.356844 3.659634 5.681516 5.900815 7.427194 7.603507 0.000000 2.860533 3.693401 3.659274 2.335975 6.041320 6.637333 4.599767 8.818644 5.383465 5.451701 6.396068 3.413215 7.344650 2.149913 3.863361 1.080853 7.185551 8.086057 7.797219 2.704782 3.394360 2.146248 8.485974 4.568036 6.261965 5.601478 7.060346 6.940469 8.155889 4.946537 0.000000 8.268505 3.781050 4.589421 5.807442 4.779941 2.156066 2.580456 3.324592 2.772014 4.262486 6.198247 3.868036 6.940398 4.677930 4.717729 5.985247 1.074925 8.438249 3.247876 4.559794 6.014427 6.546495 2.240014 4.850364 4.710800 6.564418 6.647417 6.724584 6.815411 4.587475 6.729543 0.000000 10.589274 8.258693 6.188149 7.825546 4.558960 7.192243 7.911948 7.592383 6.938882 5.799999 3.478181 8.166990 2.174496 8.045189 8.979611 8.730762 8.366331 1.092250 6.710833 7.502258 9.596174 9.474349 8.548074 5.984377 6.110723 3.782846 3.788967 2.514553 2.511772 9.312768 8.873482 9.055807 0.000000 9.969456 8.373247 6.274640 8.016238 4.106303 6.805906 7.459088 7.309958 6.440008 5.090988 2.801048 7.644700 2.183201 7.735749 8.222944 8.364026 8.113307 1.094507 6.299688 7.520247 8.813391 8.873911 8.343673 5.246145 5.129476 3.149877 2.612255 3.087201 2.534543 8.432651 8.665121 8.834942 1.764964 0.000000 9.042575 7.552770 5.384166 6.823033 4.099656 6.946822 7.175136 7.834652 6.360288 5.080058 2.799598 7.152817 2.182135 6.930411 7.845671 7.415614 8.210127 1.094385 6.751456 6.580521 8.275553 8.069007 8.653822 4.961462 5.440058 2.603638 3.157359 2.532816 3.085849 8.276105 7.527035 8.765423 1.764900 1.768337 0.000000 9.327227 5.951838 4.932513 7.049121 2.398754 2.161842 4.076190 2.123462 2.834950 2.693722 3.388310 5.136928 3.923263 5.964277 5.819103 7.190414 3.253518 5.270077 1.076162 5.861665 7.065951 7.664122 3.195592 3.781529 2.569482 4.313906 3.401430 4.296981 3.401986 5.580105 7.927233 4.226394 5.874761 5.333271 5.948502 0.000000 2.867668 6.034714 6.010305 6.014093 6.652880 6.557262 4.567661 8.635530 5.326945 5.372858 7.093080 3.412245 8.536233 3.872488 2.150784 3.394623 7.146735 9.313529 7.624656 5.379801 1.082541 2.149174 8.375589 4.616173 5.459185 6.561481 7.156853 8.648211 9.110555 2.481836 4.285721 6.778465 10.342242 9.426568 8.981328 7.730718 0.000000 10.904384 6.163001 6.574816 8.131545 5.802142 3.249596 4.994692 2.154919 4.574440 5.712590 7.148037 6.384620 7.527695 7.233264 7.160176 8.592265 2.194371 9.023288 3.165239 6.927072 8.527387 9.157672 1.078560 6.629622 5.880951 7.859266 7.443020 7.428096 7.001650 6.822015 9.316462 2.763097 9.443067 9.313767 9.640402 4.177874 9.213569 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2949063 0.1438586 0.1231211 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= 621 619 621 621 621 MxSgAt= 38 MxSgA2= 38. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2116.5548226426 38 38 38 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 -0.0387808249 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2119.8411349277 38 38 38 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 -0.0389903477 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2120.3369504262 38 38 38 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 -0.0389782475 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2121.0514235561 38 38 38 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 -0.0390073592 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2122.0243570121 38 38 38 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 -0.0390406310 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2122.9913998541 38 38 38 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 -0.0390695478 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2123.5516752808 38 38 38 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 -0.0390874927 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2124.1636263773 38 38 38 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 -0.0391164215 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2124.6226815935 38 38 38 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 -0.0391367813 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2124.7646837342 38 38 38 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 -0.0391435837 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2124.7824652202 38 38 38 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 -0.0391442702 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2124.7855689244 38 38 38 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 -0.0391445260 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2124.8056767208 38 38 38 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 -0.0391457033 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2124.7901015414 38 38 38 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 -0.0391451572 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= 604 RedAO= T EigKep= 1.05D-06 NBF= 604 NBsUse= 603 1.00D-06 EigRej= 4.90D-07 NBFU= 603 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= 622 622 622 622 622 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1579.65844261330 -1579.84121745639 -0.182774843095 -1580.13206954386 -0.290852087464 -1580.16542636198 -0.033356818125 -1580.18507536578 -0.019649003794 -1580.18571033023 -0.000634964455 -1580.18579085229 -0.000080522055 -1580.18581022244 -0.000019370154 -1580.18581090812 -0.000000685675 -1580.18581111710 -0.000000208985 -1580.18581112692 -0.000000009820 -1580.18581112855 -0.000000001628 -1580.18581112863 -0.000000000076 -1580.18581112857 0.000000000057 -1580.18581112865 -0.000000000076 -1580.18581112860 0.000000000044 -1580.18581113 16 1.575548848252e+03 -7.982035441313e+03 2.693583080902e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245924705 LenY= 4245530949 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. -4.80636457e-01 1.09854469e+00 -1.16164502e+00 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 17 9 9 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.013662367 0.005105148 0.001797410 0.004570064 -0.014477538 -0.005174153 0.013445434 0.006107081 0.006428157 -0.009336971 -0.002830482 0.011819838 0.005062891 -0.005418298 0.003425861 -0.003632234 0.001969738 0.001717082 -0.003815922 -0.007426556 -0.003326536 0.015326555 -0.000500477 -0.002338859 0.001655031 0.005243793 0.000846214 -0.006976698 0.002036070 -0.006840537 0.000382819 0.008391085 0.004005573 0.000109700 0.000988429 0.000054843 0.001524382 -0.001720443 0.001322883 -0.001678886 0.000074845 -0.000664012 0.000842218 0.001730354 -0.005102894 -0.003430224 -0.001262579 0.004944525 -0.005366182 -0.010211001 -0.002305526 0.000965868 0.002809736 0.002346850 0.003364345 0.015242864 0.003936675 -0.006648028 0.007265271 -0.007023307 -0.000618786 0.003074140 -0.004793446 0.006013210 -0.002379777 -0.000460813 0.002733757 -0.011885626 -0.003961422 -0.000099767 -0.000835136 0.000853262 0.001668746 0.000400856 -0.000224348 -0.001518210 -0.000723742 0.000136130 0.000658805 -0.000231437 -0.001613275 -0.001217436 -0.001424175 -0.000060852 0.000628155 -0.000931951 -0.001454536 0.001110345 0.000101495 -0.000580104 0.000808795 -0.000956040 0.001034029 -0.000536329 0.000698190 0.000291923 0.001409933 -0.000349450 0.001719548 0.000806374 0.001483985 -0.001653265 -0.002186144 0.000590644 0.000635898 -0.001776411 0.000172029 0.000925513 -0.000893803 0.000693342 -0.000451748 0.000306971 -0.000614384 -0.000212581 0.015326555 0.004695738 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1580.18931101608 -1580.18931142212 -0.000000406038 -1580.18931142147 0.000000000649 -1580.18931142672 -0.000000005250 -1580.18931142681 -0.000000000093 -1580.18931142729 -0.000000000481 -1580.18931142730 -0.000000000009 -1580.18931142715 0.000000000154 -1580.18931143 8 1.574895289528e+03 -7.965669422588e+03 2.685833865249e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245924705 LenY= 4245530949 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) PT118596.400S Fri Dec 10 17:25:17 2021 -6.00409566e-01 8.60058509e-01 -1.26433571e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1580.1893114 5.403E-9 4.214E-6 -12.3563618,6.6589595,5.6974023,5.6516379,6.1612654,1.4912804 C01 [X(C15H15Cl1F3N3O1)] -0.5427973 1.5208796 -0.3017175 0.000003791 -0.000001209 -0.000000653 0.000000905 -0.000004732 -0.000001457 0.000001009 -0.000000234 0.000000818 -0.000000903 0.000000450 0.000002498 -0.000008699 0.000010857 0.000003005 -0.000010043 -0.000009022 0.000004552 0.000006831 0.000004310 -0.000003724 0.000009407 -0.000001965 -0.000006853 -0.000009269 -0.000002833 -0.000000723 0.000006050 0.000000924 0.000009527 0.000000461 -0.000009094 -0.000003810 0.000006935 -0.000002624 0.000003519 -0.000000035 -0.000001063 -0.000000834 -0.000008406 0.000008297 -0.000008044 -0.000004878 0.000003070 -0.000002610 0.000009004 -0.000005265 -0.000000900 -0.000003991 -0.000001098 -0.000000775 -0.000000117 0.000001271 0.000000291 0.000008793 0.000010571 0.000001493 0.000002826 0.000002987 0.000003885 0.000008461 -0.000003383 -0.000002096 -0.000012936 0.000003885 0.000003742 0.000000792 -0.000002595 0.000001162 -0.000001334 -0.000001289 0.000000843 -0.000000909 0.000001516 -0.000003354 -0.000001698 0.000001856 0.000000188 0.000000499 0.000002416 -0.000001363 -0.000000338 -0.000000267 0.000000515 0.000000859 -0.000000232 -0.000000201 0.000000597 -0.000000596 0.000000388 -0.000000319 -0.000000158 0.000001661 0.000000066 -0.000000978 0.000001074 0.000000970 -0.000000232 0.000000536 0.000000273 0.000001017 -0.000001679 -0.000001462 0.000000109 -0.000000283 -0.000001421 -0.000004230 0.000000115 -0.000000659 0.000000170 -0.000001053 -0.000001111 -0.000000606 0.000000602 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-CIBELES2-316 PAULAPLA Optimization triflumizole_E CONF319 gas EM64L-G16RevC.01 108 C1[X(C15H15ClF3N3O)] 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization triflumizole_E CONF319 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 35 19 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/paulapla/almacen/ADAMA/censo_results/triflumizole_E/gas/CONF319/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 1 2 3 4 5 5 6 6 6 7 7 8 8 9 10 10 11 11 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 21 21 23 22 20 20 20 10 11 9 17 19 9 12 19 23 10 24 25 13 26 27 14 15 18 28 29 16 20 21 30 22 31 23 32 33 34 35 36 22 37 38 1.7561 1.35 1.3588 1.3519 1.4096 1.4272 1.4005 1.3954 1.3909 1.2711 1.3984 1.3011 1.3888 1.5179 1.0951 1.1029 1.5192 1.1004 1.1015 1.4084 1.4013 1.5311 1.0939 1.0944 1.3945 1.5074 1.389 1.0833 1.3884 1.0809 1.3602 1.0749 1.0923 1.0945 1.0944 1.0762 1.3916 1.0825 1.0786 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 10 9 9 17 9 19 6 6 7 5 5 5 9 9 24 5 5 5 13 13 26 7 7 14 11 11 11 18 18 28 12 12 16 12 12 21 14 14 22 6 6 23 13 13 13 33 33 34 6 6 8 2 2 2 3 3 4 15 15 22 1 1 16 8 8 17 5 6 6 6 7 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 11 17 19 19 12 23 7 10 10 9 24 25 24 25 25 13 26 27 26 27 27 14 15 15 18 28 29 28 29 29 16 20 20 21 30 30 22 31 31 23 32 32 33 34 35 34 35 35 8 36 36 3 4 14 4 14 14 22 37 37 16 21 21 17 38 38 113.2383 125.5099 128.3172 106.0947 123.4176 105.6981 117.7664 116.8036 125.4084 109.6278 111.2866 111.0909 108.0879 109.0315 107.6293 108.3542 109.5505 109.8641 110.6197 110.7539 107.6929 121.9679 119.5402 118.277 112.0054 108.3102 108.6114 110.5104 110.4096 106.8236 120.6046 119.8641 119.524 121.261 118.597 120.1401 119.7407 120.0466 120.2127 105.4995 121.0223 133.4781 110.8606 111.4204 111.3423 107.6299 107.633 107.7764 111.7862 121.8735 126.3096 106.7925 106.9383 112.4024 106.6392 111.4974 112.2022 119.4436 120.4639 120.092 119.5429 119.7924 120.6647 110.9209 121.1915 127.8873 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 11 11 11 10 10 10 17 17 19 19 9 9 19 19 9 9 17 17 12 12 9 9 23 23 19 19 6 6 6 7 7 7 5 5 5 26 26 26 27 27 27 7 7 15 15 7 7 14 14 11 11 11 28 28 28 29 29 29 12 12 20 20 12 12 12 16 16 16 12 12 30 30 14 14 31 31 6 6 32 32 15 15 37 37 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 21 21 21 21 10 10 10 11 11 11 9 9 9 9 17 17 17 17 19 19 19 19 9 9 12 12 19 19 23 23 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 18 18 18 18 18 18 18 18 18 16 16 16 16 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 22 22 22 22 9 24 25 13 26 27 7 10 7 10 23 32 23 32 8 36 8 36 6 10 14 15 6 36 17 38 5 24 25 5 24 25 18 28 29 18 28 29 18 28 29 16 20 16 20 21 30 21 30 33 34 35 33 34 35 33 34 35 22 31 22 31 2 3 4 2 3 4 22 37 22 37 1 21 1 21 8 38 8 38 1 16 1 16 -170.17 -50.651 69.2589 179.382 58.6146 -59.4981 -3.7727 177.8263 172.5542 -5.8468 177.0171 -3.0553 0.0159 179.9435 -176.7417 5.1532 0.147 -177.9582 -178.9954 -0.7465 -93.7449 91.6753 -0.2413 177.7618 0.2529 -179.5536 -52.7927 -174.2556 69.0207 128.9433 7.4803 -109.2433 -179.4922 -57.3653 58.3007 -59.3903 62.7367 178.4026 59.9394 -177.9337 -62.2677 -175.5878 5.403 -0.9422 -179.9515 175.8925 -3.5999 1.1132 -178.3791 179.9619 -60.1928 60.1644 59.1004 178.9457 -60.697 -58.863 60.9823 -178.6605 0.306 -179.6131 179.3186 -0.6005 -59.0943 60.7873 -179.6651 121.8857 -118.2327 1.3149 -0.6386 179.63 178.846 -0.8854 -179.929 0.1922 -0.0101 -179.8889 -0.163 179.6273 179.9224 -0.2873 -179.9089 -0.0304 -0.1765 179.702 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00200 0.00204 0.00224 0.00283 0.00350 0.00536 0.00641 0.00712 0.00926 0.01178 0.01615 0.01679 0.01788 0.01980 0.02056 0.02237 0.02575 0.02598 0.02680 0.02696 0.02890 0.03353 0.03574 0.03904 0.04177 0.04569 0.04580 0.04871 0.05102 0.05818 0.05984 0.06172 0.06888 0.07326 0.09803 0.10080 0.10457 0.10632 0.10729 0.11284 0.11765 0.11855 0.12010 0.12174 0.12295 0.12864 0.13643 0.13729 0.14085 0.16017 0.16113 0.16454 0.17908 0.18301 0.18461 0.19026 0.19412 0.20248 0.20825 0.22214 0.22466 0.23315 0.23596 0.23662 0.23865 0.24116 0.24694 0.25448 0.27135 0.28783 0.28889 0.30057 0.30543 0.30920 0.31117 0.31760 0.32692 0.32858 0.33004 0.33130 0.33230 0.33518 0.33721 0.34194 0.35110 0.35721 0.35796 0.36067 0.36502 0.36917 0.37207 0.37829 0.38455 0.38703 0.39385 0.39802 0.42322 0.43154 0.44535 0.45684 0.46430 0.47078 0.47992 0.49561 0.50623 0.51158 0.58874 0.75810 Angle between quadratic step and forces= 78.56 degrees. 1 2 0.00024894 0.00000005 0.00000002 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 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 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 3.31854 2.55110 2.56767 2.55467 2.66379 2.69704 2.64649 2.63690 2.62844 2.40201 2.64250 2.45865 2.62450 2.86848 2.06950 2.08421 2.87092 2.07948 2.08157 2.66156 2.64813 2.89342 2.06725 2.06806 2.63516 2.84858 2.62481 2.04720 2.62379 2.04252 2.57039 2.03131 2.06405 2.06832 2.06809 2.03365 2.62967 2.04571 2.03818 1.97638 2.19056 2.23956 1.85170 2.15404 1.84478 2.05541 2.03861 2.18879 1.91337 1.94232 1.93890 1.88649 1.90296 1.87849 1.89114 1.91202 1.91749 1.93068 1.93302 1.87960 2.12874 2.08637 2.06432 1.95486 1.89037 1.89563 1.92877 1.92701 1.86442 2.10495 2.09202 2.08609 2.11640 2.06991 2.09684 2.08987 2.09521 2.09811 1.84131 2.11224 2.32963 1.93488 1.94465 1.94329 1.87850 1.87855 1.88105 1.95104 2.12709 2.20452 1.86388 1.86643 1.96179 1.86121 1.94600 1.95830 2.08468 2.10249 2.09600 2.08642 2.09077 2.10600 1.93593 2.11519 2.23205 -2.97003 -0.88403 1.20880 3.13081 1.02302 -1.03844 -0.06585 3.10365 3.01164 -0.10205 3.08953 -0.05332 0.00028 3.14061 -3.08472 0.08994 0.00257 -3.10596 -3.12406 -0.01303 -1.63616 1.60004 -0.00421 3.10253 0.00441 -3.13380 -0.92141 -3.04133 1.20464 2.25049 0.13056 -1.90666 -3.13273 -1.00121 1.01754 -1.03656 1.09496 3.11371 1.04614 -3.10553 -1.08678 -3.06458 0.09430 -0.01645 -3.14075 3.06990 -0.06283 0.01943 -3.11330 3.14093 -1.05056 1.05007 1.03150 3.12319 -1.05936 -1.02735 1.06434 -3.11821 0.00534 -3.13484 3.12970 -0.01048 -1.03139 1.06094 -3.13575 2.12731 -2.06355 0.02295 -0.01115 3.13513 3.12145 -0.01545 -3.14035 0.00335 -0.00018 -3.13965 -0.00285 3.13509 3.14024 -0.00501 -3.14000 -0.00053 -0.00308 3.13639 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 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 0.00001 0.00000 -0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00002 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00002 -0.00000 0.00000 -0.00005 -0.00004 0.00001 -0.00000 0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00002 0.00001 0.00002 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00002 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00002 0.00005 -0.00003 0.00007 -0.00000 0.00003 -0.00003 -0.00005 -0.00002 -0.00000 0.00002 0.00001 -0.00000 -0.00000 -0.00002 0.00002 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00002 -0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00002 0.00002 -0.00001 -0.00000 -0.00002 -0.00000 0.00002 0.00000 0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00001 -0.00034 -0.00034 -0.00034 -0.00013 -0.00014 -0.00013 -0.00020 -0.00012 -0.00060 -0.00051 -0.00030 -0.00031 0.00002 0.00001 0.00033 0.00035 -0.00000 0.00001 -0.00017 -0.00027 0.00043 0.00045 -0.00002 -0.00003 0.00003 0.00003 0.00027 0.00025 0.00032 0.00036 0.00034 0.00041 -0.00005 -0.00005 -0.00005 -0.00002 -0.00003 -0.00002 -0.00005 -0.00005 -0.00005 0.00003 -0.00005 0.00001 -0.00007 -0.00001 -0.00002 0.00001 0.00000 0.00001 0.00002 0.00001 0.00001 0.00002 0.00001 0.00001 0.00001 0.00001 -0.00002 -0.00001 0.00006 0.00007 -0.00004 -0.00005 -0.00003 -0.00012 -0.00013 -0.00011 -0.00001 -0.00000 -0.00000 0.00000 0.00002 0.00002 0.00001 0.00001 -0.00003 -0.00003 -0.00002 -0.00002 -0.00000 -0.00001 -0.00001 -0.00001 -0.00003 0.00002 -0.00000 0.00000 -0.00005 -0.00004 0.00001 -0.00000 0.00003 -0.00001 -0.00001 0.00001 0.00001 0.00002 0.00001 0.00002 0.00000 0.00001 0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00001 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00002 0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 -0.00002 0.00005 -0.00003 0.00007 -0.00000 0.00003 -0.00003 -0.00005 -0.00002 -0.00000 0.00002 0.00001 -0.00000 -0.00000 -0.00002 0.00002 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00002 -0.00000 -0.00001 0.00001 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00002 0.00002 -0.00001 -0.00000 -0.00002 -0.00000 0.00002 0.00000 0.00002 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 -0.00001 -0.00034 -0.00034 -0.00034 -0.00013 -0.00014 -0.00013 -0.00020 -0.00012 -0.00060 -0.00051 -0.00030 -0.00031 0.00002 0.00001 0.00033 0.00035 -0.00000 0.00001 -0.00017 -0.00027 0.00043 0.00045 -0.00002 -0.00003 0.00003 0.00003 0.00027 0.00025 0.00032 0.00036 0.00034 0.00041 -0.00005 -0.00005 -0.00005 -0.00002 -0.00003 -0.00002 -0.00005 -0.00005 -0.00005 0.00003 -0.00005 0.00001 -0.00007 -0.00001 -0.00002 0.00001 0.00000 0.00001 0.00002 0.00001 0.00001 0.00002 0.00001 0.00001 0.00001 0.00001 -0.00002 -0.00001 0.00006 0.00007 -0.00004 -0.00005 -0.00003 -0.00012 -0.00013 -0.00011 -0.00001 -0.00000 -0.00000 0.00000 0.00002 0.00002 0.00001 0.00001 -0.00003 -0.00003 -0.00002 -0.00002 -0.00000 -0.00001 -0.00001 -0.00001 3.31852 2.55112 2.56766 2.55467 2.66374 2.69701 2.64650 2.63690 2.62847 2.40200 2.64249 2.45867 2.62450 2.86850 2.06951 2.08423 2.87092 2.07949 2.08158 2.66155 2.64814 2.89342 2.06725 2.06806 2.63515 2.84861 2.62480 2.04720 2.62379 2.04252 2.57039 2.03131 2.06406 2.06832 2.06809 2.03364 2.62969 2.04571 2.03818 1.97639 2.19055 2.23956 1.85170 2.15405 1.84477 2.05539 2.03866 2.18876 1.91343 1.94231 1.93893 1.88646 1.90291 1.87847 1.89114 1.91204 1.91750 1.93068 1.93302 1.87958 2.12876 2.08636 2.06431 1.95486 1.89037 1.89563 1.92877 1.92701 1.86442 2.10496 2.09202 2.08607 2.11640 2.06990 2.09685 2.08987 2.09520 2.09811 1.84132 2.11224 2.32962 1.93488 1.94465 1.94328 1.87850 1.87856 1.88106 1.95104 2.12707 2.20454 1.86388 1.86642 1.96177 1.86120 1.94602 1.95830 2.08470 2.10249 2.09599 2.08643 2.09078 2.10597 1.93594 2.11520 2.23204 -2.97037 -0.88436 1.20845 3.13068 1.02288 -1.03857 -0.06605 3.10354 3.01104 -0.10256 3.08923 -0.05364 0.00030 3.14061 -3.08439 0.09029 0.00256 -3.10594 -3.12423 -0.01329 -1.63573 1.60048 -0.00423 3.10250 0.00444 -3.13377 -0.92114 -3.04108 1.20495 2.25085 0.13090 -1.90625 -3.13278 -1.00126 1.01749 -1.03658 1.09494 3.11369 1.04609 -3.10558 -1.08683 -3.06456 0.09425 -0.01644 -3.14082 3.06989 -0.06285 0.01944 -3.11330 3.14094 -1.05055 1.05008 1.03151 3.12321 -1.05935 -1.02734 1.06435 -3.11820 0.00532 -3.13485 3.12976 -0.01041 -1.03143 1.06089 -3.13578 2.12718 -2.06367 0.02284 -0.01115 3.13513 3.12145 -0.01545 -3.14034 0.00337 -0.00017 -3.13964 -0.00288 3.13505 3.14022 -0.00503 -3.14001 -0.00054 -0.00309 3.13638 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000020 0.000003 0.000991 0.000249 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -7.556418e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 1 2 3 4 5 5 6 6 6 7 7 8 8 9 10 10 11 11 11 12 12 13 13 13 14 14 15 15 16 16 17 17 18 18 18 19 21 21 23 22 20 20 20 10 11 9 17 19 9 12 19 23 10 24 25 13 26 27 14 15 18 28 29 16 20 21 30 22 31 23 32 33 34 35 36 22 37 38 1.7561 1.35 1.3588 1.3519 1.4096 1.4272 1.4005 1.3954 1.3909 1.2711 1.3984 1.3011 1.3888 1.5179 1.0951 1.1029 1.5192 1.1004 1.1015 1.4084 1.4013 1.5311 1.0939 1.0944 1.3945 1.5074 1.389 1.0833 1.3884 1.0809 1.3602 1.0749 1.0923 1.0945 1.0944 1.0762 1.3916 1.0825 1.0786 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 10 9 9 17 9 19 6 6 7 5 5 5 9 9 24 5 5 5 13 13 26 7 7 14 11 11 11 18 18 28 12 12 16 12 12 21 14 14 22 6 6 23 13 13 13 33 33 34 6 6 8 2 2 2 3 3 4 15 15 22 1 1 16 8 8 17 5 6 6 6 7 8 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 20 20 20 21 21 21 22 22 22 23 23 23 11 17 19 19 12 23 7 10 10 9 24 25 24 25 25 13 26 27 26 27 27 14 15 15 18 28 29 28 29 29 16 20 20 21 30 30 22 31 31 23 32 32 33 34 35 34 35 35 8 36 36 3 4 14 4 14 14 22 37 37 16 21 21 17 38 38 113.2383 125.5099 128.3172 106.0947 123.4176 105.6981 117.7664 116.8036 125.4084 109.6278 111.2866 111.0909 108.0879 109.0315 107.6293 108.3542 109.5505 109.8641 110.6197 110.7539 107.6929 121.9679 119.5402 118.277 112.0054 108.3102 108.6114 110.5104 110.4096 106.8236 120.6046 119.8641 119.524 121.261 118.597 120.1401 119.7407 120.0466 120.2127 105.4995 121.0223 133.4781 110.8606 111.4204 111.3423 107.6299 107.633 107.7764 111.7862 121.8735 126.3096 106.7925 106.9383 112.4024 106.6392 111.4974 112.2022 119.4436 120.4639 120.092 119.5429 119.7924 120.6647 110.9209 121.1915 127.8873 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 11 11 11 10 10 10 17 17 19 19 9 9 19 19 9 9 17 17 12 12 9 9 23 23 19 19 6 6 6 7 7 7 5 5 5 26 26 26 27 27 27 7 7 15 15 7 7 14 14 11 11 11 28 28 28 29 29 29 12 12 20 20 12 12 12 16 16 16 12 12 30 30 14 14 31 31 6 6 32 32 15 15 37 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 21 21 21 10 10 10 11 11 11 9 9 9 9 17 17 17 17 19 19 19 19 9 9 12 12 19 19 23 23 10 10 10 10 10 10 13 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 18 18 18 18 18 18 18 18 18 16 16 16 16 20 20 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 22 22 22 9 24 25 13 26 27 7 10 7 10 23 32 23 32 8 36 8 36 6 10 14 15 6 36 17 38 5 24 25 5 24 25 18 28 29 18 28 29 18 28 29 16 20 16 20 21 30 21 30 33 34 35 33 34 35 33 34 35 22 31 22 31 2 3 4 2 3 4 22 37 22 37 1 21 1 21 8 38 8 38 1 16 1 -170.17 -50.651 69.2589 179.382 58.6146 -59.4981 -3.7727 177.8263 172.5542 -5.8468 177.0171 -3.0553 0.0159 179.9435 -176.7417 5.1532 0.147 -177.9582 -178.9954 -0.7465 -93.7449 91.6753 -0.2413 177.7618 0.2529 -179.5536 -52.7927 -174.2556 69.0207 128.9433 7.4803 -109.2433 -179.4922 -57.3653 58.3007 -59.3903 62.7367 178.4026 59.9394 -177.9337 -62.2677 -175.5878 5.403 -0.9422 -179.9515 175.8925 -3.5999 1.1132 -178.3791 179.9619 -60.1928 60.1644 59.1004 178.9457 -60.697 -58.863 60.9823 -178.6605 0.306 -179.6131 179.3186 -0.6005 -59.0943 60.7873 -179.6651 121.8857 -118.2327 1.3149 -0.6386 179.63 178.846 -0.8854 -179.929 0.1922 -0.0101 -179.8889 -0.163 179.6273 179.9224 -0.2873 -179.9089 -0.0304 -0.1765 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 627 A 604 A 604 965 627 89 89 2124.7901015414 38 38 38 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 -0.0391451572 0.000000 6.111961 0.000000 6.068414 2.174519 0.000000 5.175727 2.171042 2.173871 0.000000 7.646995 4.758037 3.079973 5.200432 0.000000 8.130031 4.248115 3.933836 5.765901 2.863219 0.000000 5.952132 2.910865 3.008170 4.240802 3.465072 2.288135 0.000000 10.346645 6.117453 5.795190 7.722532 4.134440 2.229505 4.494306 0.000000 6.782324 3.616052 3.056440 4.806497 2.393459 1.400462 1.271090 3.582837 0.000000 6.698275 4.479500 3.159506 5.061305 1.409618 2.486488 2.481054 4.244518 1.517936 0.000000 7.854109 5.770140 3.791284 5.732323 1.427214 4.262392 4.662229 5.342286 3.690843 2.368864 0.000000 4.556398 2.983206 2.984767 3.675862 4.006669 3.611916 1.398352 5.836435 2.351350 2.921587 4.905097 0.000000 9.080414 6.409439 4.397194 6.309283 2.389669 5.053034 5.774240 5.704560 4.768104 3.681356 1.519226 6.137035 0.000000 4.022345 2.376092 2.370574 2.374851 4.394833 4.520311 2.454493 6.723651 3.287493 3.640910 5.111185 1.408434 6.179062 0.000000 4.019523 4.295319 4.290253 4.785692 4.867562 4.455069 2.418961 6.590379 3.235395 3.574733 5.605904 1.401332 6.989173 2.411934 0.000000 2.723261 3.459637 3.430967 2.705840 5.466891 5.852956 3.722802 8.070332 4.558626 4.685978 5.935194 2.434755 7.034363 1.394469 2.782511 0.000000 8.734165 4.315481 4.643541 6.194454 4.180326 1.395388 2.804135 2.264516 2.485671 3.819042 5.599541 4.197588 6.269397 5.072487 5.042402 6.424661 0.000000 9.652129 7.664719 5.548466 7.232659 3.762917 6.523794 7.096484 7.136628 6.138621 4.894212 2.528951 7.279318 1.531132 7.219063 8.009618 7.874132 7.776027 0.000000 9.268695 5.455372 4.825739 6.839739 2.907013 1.390911 3.611250 1.301064 2.512250 2.961692 4.139891 4.852189 4.697240 5.733211 5.602744 7.038458 2.226623 6.132737 0.000000 5.225119 1.349983 1.358751 1.351875 4.210110 4.458211 2.904281 6.485066 3.485924 3.913489 4.978079 2.523946 5.721789 1.507404 3.798311 2.507691 4.912820 6.829640 5.591792 0.000000 2.729229 4.979500 4.956450 4.962343 5.850645 5.799319 3.698142 7.955389 4.518387 4.631457 6.363274 2.431705 7.752913 2.789960 1.388992 2.415582 6.398024 8.602134 6.928392 4.297288 0.000000 1.756098 4.633514 4.600318 4.094143 6.101908 6.382623 4.196286 8.602982 5.048846 5.095476 6.504021 2.800307 7.766320 2.406924 2.401251 1.388449 6.982352 8.533190 7.547580 3.784562 1.391561 0.000000 10.053074 5.509086 5.691306 7.368979 4.752391 2.193542 4.104595 1.388823 3.552299 4.639237 6.106187 5.502662 6.569113 6.377668 6.296455 7.741313 1.360190 8.065973 2.144621 6.124077 7.670984 8.298340 0.000000 5.704135 4.323915 2.898697 4.507395 2.075374 3.381281 2.597958 5.298408 2.129712 1.095132 2.585048 2.467846 3.996207 2.980879 3.021638 3.816264 4.604598 5.013239 4.032295 3.486293 3.845897 4.176623 5.573202 0.000000 7.131952 5.479706 4.257386 6.101878 2.079027 2.830532 3.115387 4.260463 2.147650 1.102917 2.727267 3.556470 4.087114 4.482165 3.847057 5.418480 4.163158 5.165842 3.004503 4.945225 4.901740 5.588914 4.818095 1.774076 0.000000 7.017004 5.551649 3.472904 5.146056 2.073393 4.810929 4.688679 6.193469 3.957094 2.623766 1.100412 4.618210 2.167125 4.606033 5.271655 5.229376 6.119709 2.782033 4.951215 4.555952 5.822205 5.796433 6.806527 2.359116 3.119927 0.000000 8.179498 6.622766 4.737476 6.649914 2.078136 4.593857 5.105718 5.501613 4.074968 2.635791 1.101518 5.344520 2.169650 5.746138 5.814061 6.506134 5.978373 2.788886 4.301580 5.831563 6.562483 6.873614 6.395526 2.906339 2.527386 1.777924 0.000000 8.958364 5.796047 3.813877 5.630829 2.596729 5.059746 5.653805 5.814886 4.774061 3.923175 2.132836 6.011436 1.093941 5.862071 7.025765 6.742941 6.148733 2.171362 4.874939 5.165921 7.773930 7.640165 6.513327 4.171621 4.570499 2.494752 3.058551 0.000000 9.890720 6.825774 4.987191 7.022530 2.608995 4.867034 6.010100 5.090883 4.881224 3.939996 2.137034 6.588249 1.094368 6.792023 7.445347 7.770339 6.020515 2.170411 4.232324 6.314365 8.344076 8.483861 6.098158 4.507495 4.201709 3.059657 2.498932 1.757082 0.000000 4.877091 5.007204 5.017225 5.755147 5.053141 4.288527 2.623631 6.255229 3.260647 3.666793 5.852721 2.142569 7.274422 3.390413 1.083330 3.865701 4.832462 8.328599 5.338801 4.663342 2.148023 3.386011 5.986708 3.356844 3.659634 5.681516 5.900815 7.427194 7.603507 0.000000 2.860533 3.693401 3.659274 2.335975 6.041320 6.637333 4.599767 8.818644 5.383465 5.451701 6.396068 3.413215 7.344650 2.149913 3.863361 1.080853 7.185551 8.086057 7.797219 2.704782 3.394360 2.146248 8.485974 4.568036 6.261965 5.601478 7.060346 6.940469 8.155889 4.946537 0.000000 8.268505 3.781050 4.589421 5.807442 4.779941 2.156066 2.580456 3.324592 2.772014 4.262486 6.198247 3.868036 6.940398 4.677930 4.717729 5.985247 1.074925 8.438249 3.247876 4.559794 6.014427 6.546495 2.240014 4.850364 4.710800 6.564418 6.647417 6.724584 6.815411 4.587475 6.729543 0.000000 10.589274 8.258693 6.188149 7.825546 4.558960 7.192243 7.911948 7.592383 6.938882 5.799999 3.478181 8.166990 2.174496 8.045189 8.979611 8.730762 8.366331 1.092250 6.710833 7.502258 9.596174 9.474349 8.548074 5.984377 6.110723 3.782846 3.788967 2.514553 2.511772 9.312768 8.873482 9.055807 0.000000 9.969456 8.373247 6.274640 8.016238 4.106303 6.805906 7.459088 7.309958 6.440008 5.090988 2.801048 7.644700 2.183201 7.735749 8.222944 8.364026 8.113307 1.094507 6.299688 7.520247 8.813391 8.873911 8.343673 5.246145 5.129476 3.149877 2.612255 3.087201 2.534543 8.432651 8.665121 8.834942 1.764964 0.000000 9.042575 7.552770 5.384166 6.823033 4.099656 6.946822 7.175136 7.834652 6.360288 5.080058 2.799598 7.152817 2.182135 6.930411 7.845671 7.415614 8.210127 1.094385 6.751456 6.580521 8.275553 8.069007 8.653822 4.961462 5.440058 2.603638 3.157359 2.532816 3.085849 8.276105 7.527035 8.765423 1.764900 1.768337 0.000000 9.327227 5.951838 4.932513 7.049121 2.398754 2.161842 4.076190 2.123462 2.834950 2.693722 3.388310 5.136928 3.923263 5.964277 5.819103 7.190414 3.253518 5.270077 1.076162 5.861665 7.065951 7.664122 3.195592 3.781529 2.569482 4.313906 3.401430 4.296981 3.401986 5.580105 7.927233 4.226394 5.874761 5.333271 5.948502 0.000000 2.867668 6.034714 6.010305 6.014093 6.652880 6.557262 4.567661 8.635530 5.326945 5.372858 7.093080 3.412245 8.536233 3.872488 2.150784 3.394623 7.146735 9.313529 7.624656 5.379801 1.082541 2.149174 8.375589 4.616173 5.459185 6.561481 7.156853 8.648211 9.110555 2.481836 4.285721 6.778465 10.342242 9.426568 8.981328 7.730718 0.000000 10.904384 6.163001 6.574816 8.131545 5.802142 3.249596 4.994692 2.154919 4.574440 5.712590 7.148037 6.384620 7.527695 7.233264 7.160176 8.592265 2.194371 9.023288 3.165239 6.927072 8.527387 9.157672 1.078560 6.629622 5.880951 7.859266 7.443020 7.428096 7.001650 6.822015 9.316462 2.763097 9.443067 9.313767 9.640402 4.177874 9.213569 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2949063 0.1438586 0.1231211 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= 604 RedAO= T EigKep= 1.05D-06 NBF= 604 NBsUse= 603 1.00D-06 EigRej= 4.90D-07 NBFU= 603 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= 622 622 622 622 622 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.18931142732 -1580.18931142727 0.000000000051 -1580.18931143 2 1.574895289533e+03 -7.965669422134e+03 2.685833864790e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245924705 LenY= 4245530949 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= 38. Will process 39 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111 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. 11759 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4246732800 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 770000000 NMat= 114 IRICut= 285 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= 114 NMatS0= 114 NMatT0= 0 NMatD0= 114 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 76.46% of shell-pairs survive, threshold= 0.20 IRatSp=76. There are 117 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 114 vectors produced by pass 0 Test12= 4.57D-14 1.00D-09 XBig12= 3.03D+02 7.54D+00. AX will form 114 AO Fock derivatives at one time. 114 vectors produced by pass 1 Test12= 4.57D-14 1.00D-09 XBig12= 6.07D+01 1.40D+00. 114 vectors produced by pass 2 Test12= 4.57D-14 1.00D-09 XBig12= 7.29D-01 7.50D-02. 114 vectors produced by pass 3 Test12= 4.57D-14 1.00D-09 XBig12= 6.07D-03 9.18D-03. 114 vectors produced by pass 4 Test12= 4.57D-14 1.00D-09 XBig12= 1.75D-05 4.45D-04. 105 vectors produced by pass 5 Test12= 4.57D-14 1.00D-09 XBig12= 3.18D-08 1.42D-05. 49 vectors produced by pass 6 Test12= 4.57D-14 1.00D-09 XBig12= 4.71D-11 4.61D-07. 3 vectors produced by pass 7 Test12= 4.57D-14 1.00D-09 XBig12= 6.27D-14 2.72D-08. 1 vectors produced by pass 8 Test12= 4.57D-14 1.00D-09 XBig12= 8.56D-17 1.31D-09. InvSVY: IOpt=1 It= 1 EMax= 1.95D-14 Solved reduced A of dimension 728 with 117 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 223.70 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 300.040 -28.124 197.543 9.957 0.528 173.522 405.502 -40.835 277.658 7.198 2.461 281.382 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT86226.200S Fri Dec 10 18:36:06 2021 -6.00409610e-01 8.60058420e-01 -1.26433589e+00 3.00039584e+02 -2.81243850e+01 1.97543300e+02 9.95733393e+00 5.27921513e-01 1.73522132e+02 -1.6507 -0.0006 0.0004 0.0016 1.3916 3.0304 14.2718 22.2100 37.4355 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 14.2581 22.2096 37.4346 43.3879 44.5012 50.7352 51.8877 85.6176 103.6981 123.3732 132.1870 144.7895 159.0046 168.1801 189.1072 229.5457 242.1329 264.4439 279.9224 292.1983 347.0767 354.1220 360.7758 379.1944 422.4266 457.2901 477.1523 501.5940 506.4486 549.0149 593.0821 612.9213 616.9885 657.5336 658.6317 667.7766 691.1845 719.5352 760.1063 764.6252 779.6032 788.2621 823.7213 851.4298 864.0837 892.5014 910.1068 912.4994 914.3524 921.3006 974.3777 993.8557 1008.4270 1018.5434 1052.9505 1061.3207 1075.8976 1102.7964 1117.5160 1122.5635 1128.0112 1137.6005 1142.1042 1158.1083 1170.7705 1184.4580 1234.5316 1262.2684 1266.0230 1276.4858 1294.9495 1302.6217 1321.6495 1324.2581 1326.5284 1338.2075 1341.9897 1399.2677 1419.4981 1431.4346 1442.4237 1452.8574 1497.1333 1502.4554 1503.2593 1504.3859 1509.2912 1513.0937 1524.9811 1565.9505 1595.5428 1638.0816 1733.0704 2948.4141 2955.9456 2987.1452 3020.4459 3035.9861 3041.2414 3063.7125 3088.7110 3095.7164 3183.7248 3201.9802 3219.1475 3243.7103 3279.1029 3295.7371 5.6581 5.8880 9.4307 4.5338 2.8650 5.7968 2.8139 4.9606 3.7292 4.6484 5.0652 8.1868 3.4708 5.5261 5.4913 4.5168 1.1369 11.8614 6.1829 5.5358 14.6540 5.1624 9.4444 3.7045 4.4780 5.5069 7.1796 4.9186 9.3178 4.0917 6.9095 4.1282 5.9219 3.6145 5.5531 6.8939 7.5471 5.1564 1.2913 4.0733 1.0851 5.1017 1.4258 1.7710 6.1777 1.3756 5.4835 1.3965 1.1933 1.7240 1.3391 4.3258 5.1504 2.3797 2.8339 4.0578 1.6932 7.7897 4.3994 1.7372 4.8399 3.3649 4.5987 2.5627 1.6714 1.6241 3.6115 1.1807 4.1779 1.2163 1.2394 1.5212 6.9834 5.2691 1.0978 1.4599 2.0618 1.3316 1.2359 4.3960 4.3434 1.5238 1.0494 1.1588 1.0397 2.6630 1.0891 3.0868 1.0888 4.8574 7.8392 6.2253 11.1152 1.0659 1.0598 1.1044 1.0369 1.0594 1.0904 1.1028 1.1041 1.1000 1.0890 1.0951 1.0918 1.0951 1.0971 1.1031 0.0007 0.0017 0.0078 0.0050 0.0033 0.0088 0.0045 0.0214 0.0236 0.0417 0.0521 0.1011 0.0517 0.0921 0.1157 0.1402 0.0393 0.4887 0.2854 0.2785 1.0401 0.3814 0.7243 0.3138 0.4708 0.6785 0.9631 0.7291 1.4081 0.7266 1.4320 0.9137 1.3282 0.9207 1.4193 1.8112 2.1243 1.5729 0.4396 1.4031 0.3886 1.8677 0.5700 0.7564 2.7176 0.6456 2.6760 0.6851 0.5878 0.8622 0.7491 2.5174 3.0859 1.4546 1.8512 2.6930 1.1548 5.5817 3.2371 1.2898 3.6284 2.5657 3.5342 2.0251 1.3498 1.3425 3.2429 1.1084 3.9454 1.1677 1.2245 1.5208 7.1870 5.4442 1.1382 1.5403 2.1877 1.5361 1.4672 5.3070 5.3243 1.8951 1.3859 1.5412 1.3843 3.5510 1.4617 4.1638 1.4918 7.0179 11.7582 9.8420 19.6697 5.4594 5.4560 5.8063 5.5733 5.7534 5.9423 6.0987 6.2061 6.2108 6.5037 6.6152 6.6664 6.7890 6.9502 7.0593 0.5678 0.2494 0.1063 0.7424 0.8729 0.5536 0.1649 2.7095 0.1200 0.1330 1.2572 0.1493 4.1985 1.5092 1.0060 0.6040 0.1143 0.4296 0.1565 0.6878 0.0117 0.7639 2.5191 0.2690 6.7831 5.4310 6.2904 2.9250 4.3288 8.0330 5.7561 1.7826 0.8253 22.8731 4.6810 18.6485 6.2912 38.1245 22.6368 0.8155 1.7829 37.2393 24.9104 30.5081 20.1920 0.9568 2.3547 19.8640 0.8627 8.9823 1.2110 57.0110 27.0081 21.0116 10.5131 148.4328 49.5589 154.1099 83.6602 83.8631 82.8824 165.7242 123.2374 4.1675 20.3303 3.5341 243.5900 21.3694 137.6868 3.1776 4.3058 40.4340 120.7886 50.8697 5.4980 72.2566 152.2176 27.6948 2.8839 285.1192 10.8093 27.6723 5.1403 34.5855 12.9061 269.2432 7.4043 13.5446 4.6005 56.5465 7.3459 10.3189 580.9736 24.0841 56.5382 32.9514 29.0813 22.1894 19.3176 0.0662 55.1998 30.0482 2.3717 0.8556 1.8912 5.0156 1.8827 4.4124 -0.00 -0.02 0.01 0.11 0.16 -0.02 0.05 0.13 -0.14 0.09 0.16 -0.08 0.01 -0.05 -0.00 -0.00 -0.05 -0.02 -0.00 -0.03 -0.01 -0.01 -0.07 -0.02 0.00 -0.04 -0.01 0.01 -0.04 -0.01 -0.08 -0.02 0.11 0.00 -0.03 -0.00 -0.09 -0.04 0.13 0.03 0.04 -0.03 -0.03 -0.09 0.03 0.03 0.04 -0.03 -0.01 -0.06 -0.04 -0.20 -0.00 0.26 0.00 -0.06 -0.01 0.07 0.12 -0.07 -0.03 -0.09 0.03 0.00 -0.02 0.00 -0.01 -0.07 -0.04 0.02 -0.04 -0.01 0.01 -0.04 -0.01 -0.10 -0.09 0.19 -0.13 0.08 0.11 -0.03 -0.15 0.12 -0.06 0.04 0.04 -0.06 -0.14 0.05 0.06 0.10 -0.05 -0.02 -0.06 -0.05 -0.20 -0.02 0.27 -0.25 0.11 0.26 -0.22 -0.08 0.35 0.01 -0.05 0.00 -0.06 -0.14 0.05 -0.02 -0.08 -0.05 -0.10 -0.17 0.02 0.04 0.09 -0.02 -0.07 0.11 -0.06 -0.05 0.04 -0.03 0.04 0.02 0.07 -0.01 0.04 -0.00 -0.01 0.04 -0.02 -0.02 0.01 -0.05 -0.01 0.05 0.01 -0.01 0.08 0.07 0.13 0.02 0.08 -0.02 0.02 -0.01 0.21 -0.06 0.05 -0.04 0.01 -0.02 -0.03 -0.02 -0.01 -0.06 -0.04 -0.01 -0.02 0.03 -0.03 0.33 -0.06 0.05 -0.02 0.03 -0.02 -0.03 0.06 -0.03 -0.05 -0.07 0.00 -0.07 -0.09 0.01 -0.03 0.01 -0.06 0.00 0.10 0.13 -0.05 0.12 0.06 0.16 0.10 0.11 0.10 0.01 0.07 0.23 -0.03 0.06 0.17 -0.14 0.02 -0.02 -0.01 -0.00 -0.07 -0.05 -0.01 -0.03 0.03 -0.03 0.39 -0.12 0.03 0.31 -0.08 0.04 0.37 0.02 0.07 -0.01 0.03 -0.01 -0.05 -0.10 0.01 -0.04 -0.00 -0.09 -0.07 0.02 0.15 0.20 -0.07 -0.21 0.04 0.01 -0.15 0.12 -0.15 -0.03 -0.01 0.00 -0.02 -0.03 0.02 0.03 -0.04 -0.01 -0.19 -0.01 0.05 0.30 -0.02 0.01 -0.08 0.01 0.01 -0.06 0.03 0.00 -0.03 -0.04 0.01 -0.14 -0.02 -0.01 0.03 0.02 -0.02 -0.09 -0.10 0.04 -0.11 0.01 -0.01 0.00 -0.07 0.06 0.14 0.03 -0.01 0.02 0.00 0.01 0.13 0.10 -0.06 -0.12 -0.11 0.05 -0.02 -0.05 0.02 0.03 -0.06 0.09 0.31 0.02 0.01 -0.10 0.06 0.01 -0.05 0.03 0.02 -0.10 0.10 -0.01 -0.02 -0.09 0.01 0.01 -0.02 -0.03 0.10 -0.15 0.06 -0.15 0.06 -0.04 0.04 -0.10 0.08 0.10 -0.00 -0.02 0.07 0.11 -0.03 0.04 0.03 0.01 -0.06 0.03 -0.02 0.08 -0.16 0.08 0.00 -0.07 0.12 0.44 0.04 0.07 -0.05 0.19 0.02 -0.06 -0.14 0.18 0.02 -0.09 -0.18 0.08 0.03 -0.02 -0.03 -0.00 -0.00 0.02 -0.00 -0.03 0.03 -0.01 -0.01 -0.05 -0.01 -0.01 0.03 -0.04 -0.01 0.04 -0.08 0.00 0.06 -0.01 -0.03 0.03 0.10 -0.03 -0.11 -0.02 -0.04 0.02 0.01 -0.02 0.02 -0.00 -0.01 0.00 0.02 0.02 0.07 -0.04 -0.00 0.00 -0.02 -0.02 -0.05 -0.02 -0.01 0.02 0.02 0.00 -0.00 0.02 0.01 -0.01 0.01 0.01 0.02 -0.03 0.00 0.12 -0.13 -0.00 0.01 -0.06 -0.03 0.31 -0.31 0.08 0.01 0.35 -0.14 -0.07 0.08 0.02 -0.38 0.01 -0.03 0.02 -0.01 -0.00 -0.00 0.03 0.04 0.12 0.10 -0.03 -0.13 -0.30 0.10 -0.05 -0.02 -0.06 0.29 -0.04 -0.04 -0.10 0.03 0.01 -0.01 0.03 0.03 0.04 0.01 0.01 -0.01 0.11 0.04 -0.03 -0.06 0.11 0.00 -0.03 -0.07 0.04 -0.05 0.02 0.08 0.00 -0.03 0.00 0.00 -0.01 0.01 0.01 -0.01 0.04 0.01 -0.01 0.02 0.02 -0.01 0.02 0.04 -0.02 -0.05 0.00 -0.01 0.01 -0.11 0.05 0.08 0.00 -0.00 0.01 0.01 -0.01 0.01 0.01 0.00 0.00 -0.02 -0.09 -0.13 0.01 0.01 -0.10 0.02 0.02 0.10 0.00 0.02 0.01 0.01 -0.00 0.01 0.01 0.00 0.00 -0.02 -0.08 -0.11 0.01 -0.03 -0.05 0.09 -0.02 0.05 0.02 0.02 -0.28 0.24 -0.12 -0.01 -0.34 0.19 0.04 -0.10 -0.01 0.34 0.01 -0.01 0.02 0.00 0.01 0.00 -0.04 -0.13 -0.22 -0.11 0.06 -0.00 0.25 -0.13 -0.06 -0.01 0.07 -0.38 0.03 0.07 0.21 0.01 -0.00 0.00 -0.03 -0.12 -0.18 0.06 0.14 -0.05 0.01 -0.01 0.00 0.04 -0.05 -0.07 0.05 0.03 -0.04 -0.14 -0.01 0.10 -0.02 0.04 0.00 -0.03 -0.11 -0.01 0.01 0.17 -0.06 -0.06 -0.03 0.02 -0.13 -0.00 0.09 -0.05 -0.03 0.06 -0.05 -0.13 0.02 -0.03 -0.06 0.07 0.00 -0.05 -0.01 -0.09 -0.20 0.05 0.03 0.02 -0.02 0.08 0.07 0.04 0.15 -0.09 -0.03 -0.05 0.11 -0.06 0.03 -0.02 -0.03 -0.06 -0.13 0.04 0.00 -0.01 -0.00 0.10 0.15 -0.00 -0.15 -0.03 0.12 -0.15 0.06 0.07 -0.03 0.04 -0.00 0.00 -0.08 0.06 -0.12 0.04 0.07 -0.07 -0.18 0.17 -0.13 -0.27 0.08 0.07 0.10 -0.05 0.13 0.02 0.08 0.15 -0.12 -0.01 0.25 -0.20 -0.02 0.18 0.02 -0.15 -0.13 0.10 -0.10 -0.09 -0.17 0.06 0.17 0.19 0.01 0.00 0.01 0.01 -0.02 -0.02 -0.01 0.04 -0.05 -0.03 0.04 0.02 -0.03 0.01 0.03 0.05 -0.01 -0.00 0.03 -0.01 -0.02 -0.03 0.01 0.03 0.11 -0.00 0.00 0.04 -0.02 0.03 0.09 -0.08 0.04 0.08 -0.01 -0.02 -0.02 0.09 0.04 -0.11 0.01 -0.01 -0.02 -0.02 -0.03 -0.01 0.01 0.00 -0.01 -0.04 -0.08 -0.13 -0.01 0.05 -0.08 0.02 0.06 0.17 0.02 -0.01 -0.02 -0.02 -0.02 0.00 -0.00 -0.00 -0.00 -0.03 -0.06 -0.08 -0.02 0.02 0.13 -0.06 0.05 0.07 -0.05 0.02 0.29 -0.28 0.06 0.04 0.31 0.01 -0.05 0.07 0.07 -0.33 -0.04 -0.05 -0.00 0.02 0.01 -0.01 -0.06 -0.14 -0.26 0.12 0.05 -0.23 -0.25 0.08 -0.14 0.01 0.02 0.15 0.04 0.12 0.31 -0.03 -0.03 0.01 -0.05 -0.10 -0.16 0.01 0.01 0.00 -0.02 0.03 0.06 -0.04 0.04 0.05 -0.05 0.01 0.03 -0.07 -0.04 -0.15 0.00 -0.02 -0.12 0.01 0.02 0.04 0.07 0.16 0.18 -0.01 -0.03 -0.10 -0.02 -0.06 -0.18 -0.03 -0.03 -0.10 0.00 0.01 0.04 0.02 -0.16 -0.05 -0.01 -0.00 0.04 0.01 0.01 0.03 -0.01 -0.01 0.02 0.02 -0.04 -0.17 0.07 -0.12 0.15 0.04 0.11 0.10 -0.03 0.02 0.04 0.01 0.01 0.02 0.00 0.00 0.02 0.06 0.07 0.01 -0.03 -0.08 -0.26 0.05 -0.10 -0.16 -0.01 0.00 -0.07 -0.03 0.01 -0.09 0.05 -0.28 -0.06 0.00 -0.17 -0.14 0.02 0.02 0.03 -0.02 -0.01 0.02 0.00 -0.13 -0.32 0.12 -0.24 0.18 0.02 0.01 0.16 0.10 -0.10 0.26 0.03 0.15 0.20 0.02 0.02 0.01 0.07 0.08 0.02 0.02 0.05 -0.03 -0.02 -0.04 -0.03 -0.00 -0.02 0.03 -0.01 -0.04 0.01 0.10 0.04 -0.09 -0.00 0.05 0.04 0.00 0.02 -0.01 -0.02 -0.02 0.00 -0.00 0.05 0.03 -0.01 0.06 0.03 0.20 0.02 -0.17 -0.02 -0.04 0.01 0.07 0.04 -0.04 -0.00 0.00 -0.00 -0.07 -0.15 0.06 -0.00 0.01 -0.01 -0.04 0.02 -0.01 -0.06 0.08 0.13 0.01 0.02 0.05 -0.01 -0.02 0.00 -0.07 -0.16 0.07 -0.03 -0.04 0.02 -0.05 -0.02 -0.03 0.00 0.09 0.14 -0.14 0.03 -0.01 0.19 0.06 -0.34 0.36 -0.04 -0.14 -0.00 -0.09 -0.08 0.13 0.15 -0.00 -0.10 -0.22 0.09 0.02 0.06 -0.03 -0.06 0.03 -0.03 -0.14 0.08 0.22 -0.02 0.22 0.16 -0.11 -0.04 0.13 0.03 0.03 0.08 -0.11 -0.24 0.10 -0.08 -0.05 -0.07 0.00 -0.03 0.00 -0.06 -0.05 -0.12 0.04 0.03 0.19 -0.04 -0.06 0.03 -0.02 0.03 -0.03 0.01 -0.01 -0.05 0.03 0.06 -0.02 0.00 -0.06 0.02 0.03 0.02 -0.07 0.06 0.00 -0.11 -0.13 0.06 0.10 0.03 0.05 -0.01 -0.05 0.02 0.04 0.07 0.15 -0.05 -0.04 -0.12 0.06 0.08 0.17 -0.07 -0.03 0.01 -0.01 0.09 0.00 -0.04 0.03 -0.05 -0.03 0.01 0.04 0.00 -0.05 -0.16 0.07 0.02 0.02 -0.01 -0.04 -0.02 0.04 0.05 -0.01 -0.22 0.17 -0.01 -0.07 -0.14 -0.00 0.26 -0.26 0.17 0.08 -0.03 0.10 0.06 -0.10 -0.08 0.03 -0.09 -0.24 0.12 0.11 0.25 -0.10 -0.05 0.05 -0.01 0.13 -0.03 -0.06 0.12 -0.09 -0.05 0.14 0.11 -0.08 0.06 -0.06 -0.05 -0.12 -0.32 0.13 -0.07 -0.03 0.07 -0.05 -0.02 0.09 -0.08 0.00 -0.08 -0.02 0.06 0.10 -0.09 -0.01 -0.04 -0.01 -0.08 0.17 0.02 -0.06 -0.01 -0.02 -0.06 -0.04 0.06 0.10 -0.02 0.00 -0.07 0.02 0.04 -0.06 0.08 0.14 -0.13 -0.02 0.00 0.02 -0.05 0.09 -0.04 -0.04 0.04 0.10 -0.08 -0.04 0.01 -0.03 0.05 0.14 -0.08 0.12 -0.05 -0.01 -0.15 -0.03 -0.03 -0.01 0.03 -0.02 -0.03 0.05 -0.03 -0.03 0.03 -0.02 -0.00 0.08 -0.03 0.14 0.05 -0.01 0.04 -0.05 0.03 0.10 -0.02 0.10 0.16 -0.03 -0.19 0.25 -0.30 -0.02 0.15 -0.09 -0.04 0.15 0.10 -0.08 -0.08 -0.04 -0.01 0.08 0.17 -0.08 0.16 -0.11 0.01 -0.15 0.07 -0.11 -0.32 0.03 -0.06 -0.20 -0.18 0.10 -0.07 0.04 -0.04 -0.06 -0.02 0.01 0.21 0.09 -0.00 0.03 0.15 0.12 -0.07 0.07 0.15 -0.13 0.03 -0.02 -0.19 0.04 -0.12 0.16 -0.02 0.00 0.06 -0.06 -0.16 0.06 0.01 -0.14 0.08 -0.03 0.07 0.07 -0.01 -0.12 0.14 0.03 -0.04 0.03 0.02 0.13 0.01 -0.05 -0.06 0.02 0.09 0.08 -0.02 -0.14 -0.01 -0.06 -0.07 -0.03 -0.04 -0.20 0.03 0.04 -0.02 -0.05 -0.01 0.07 -0.10 0.09 -0.07 -0.08 -0.09 -0.02 -0.00 -0.09 -0.11 0.02 -0.06 -0.12 0.04 0.05 0.01 0.09 0.15 0.05 -0.02 0.14 0.08 -0.04 0.00 -0.08 0.24 -0.07 0.12 0.12 0.04 0.20 0.10 0.03 0.10 0.11 -0.08 -0.04 -0.06 -0.04 -0.23 0.05 0.02 0.00 -0.07 -0.06 0.17 -0.12 0.04 -0.06 -0.10 -0.03 0.05 -0.21 0.11 -0.10 -0.14 -0.09 -0.09 0.02 0.04 0.04 0.21 0.01 0.01 -0.06 0.03 -0.00 0.02 0.01 -0.02 -0.02 0.05 0.00 0.04 -0.19 0.05 0.21 -0.01 -0.02 -0.10 0.01 0.07 -0.00 -0.02 -0.04 0.02 0.01 0.02 -0.08 0.08 0.01 -0.08 0.06 -0.00 -0.01 -0.00 0.03 0.02 0.08 0.01 -0.05 -0.02 -0.01 0.04 -0.00 -0.01 0.03 -0.03 -0.05 0.04 -0.05 0.02 -0.02 -0.04 0.03 0.01 -0.00 -0.05 -0.07 0.02 -0.00 0.02 -0.01 -0.05 0.04 -0.02 -0.05 0.03 -0.05 0.01 0.05 0.05 -0.04 -0.40 0.43 0.04 0.02 0.10 0.17 -0.18 0.18 -0.21 -0.00 0.16 -0.04 -0.04 0.10 0.08 -0.13 0.01 -0.01 0.03 -0.04 -0.05 0.04 -0.07 0.05 -0.01 0.09 0.03 -0.14 -0.30 0.10 -0.05 -0.02 -0.02 0.28 0.02 -0.07 -0.11 -0.01 -0.06 0.04 -0.07 0.02 0.12 0.05 0.03 0.14 -0.03 0.03 0.03 -0.03 0.02 0.01 -0.11 -0.00 -0.12 -0.19 0.09 0.03 0.05 0.08 0.21 0.04 -0.02 -0.02 -0.01 -0.09 -0.10 0.04 0.02 0.05 0.02 -0.04 -0.08 -0.08 0.06 -0.11 0.04 -0.04 -0.07 -0.03 -0.03 -0.08 0.05 -0.05 -0.06 0.02 -0.02 -0.07 0.06 -0.05 -0.05 0.02 0.03 0.11 0.08 0.00 0.10 0.03 0.00 0.08 -0.02 -0.01 -0.04 0.02 -0.01 -0.06 0.04 -0.02 -0.03 -0.02 -0.08 -0.09 -0.02 -0.12 -0.33 0.24 -0.12 -0.01 -0.05 0.16 -0.18 -0.01 -0.04 -0.10 -0.02 -0.12 -0.10 -0.06 -0.08 -0.14 0.01 -0.01 -0.09 0.06 -0.05 -0.04 0.02 0.07 0.16 0.21 -0.16 0.08 -0.03 0.12 0.09 0.15 0.08 0.29 0.05 0.03 0.14 0.01 0.01 -0.06 -0.05 -0.15 -0.22 -0.10 0.07 -0.05 -0.03 -0.04 -0.10 -0.03 -0.04 -0.12 0.06 -0.01 0.06 0.07 -0.03 -0.02 0.07 0.01 0.17 0.00 0.10 0.08 0.07 0.03 -0.08 0.06 -0.01 0.06 0.19 -0.10 -0.12 -0.03 -0.02 0.04 -0.02 0.07 0.02 -0.01 -0.02 0.01 -0.09 0.03 0.01 -0.06 0.03 0.04 -0.12 -0.03 0.05 0.14 -0.03 0.07 0.01 -0.02 -0.01 0.04 0.04 0.08 -0.04 -0.00 -0.03 -0.09 -0.03 0.07 -0.13 -0.03 0.05 0.14 -0.03 -0.10 0.20 -0.08 -0.38 0.42 -0.24 -0.04 -0.04 -0.08 0.11 -0.09 0.05 0.03 0.02 0.00 0.02 -0.02 -0.03 -0.00 -0.07 0.04 0.03 -0.11 -0.04 0.07 0.18 -0.08 0.10 0.02 -0.02 -0.03 0.00 -0.05 -0.02 0.02 -0.01 -0.02 0.01 0.08 0.14 -0.09 -0.07 0.07 0.17 -0.05 -0.22 0.06 -0.00 0.02 0.02 0.01 0.02 0.02 0.00 0.04 -0.01 -0.00 -0.02 0.03 -0.12 0.00 -0.01 0.18 0.09 0.01 0.07 0.00 -0.07 0.03 -0.03 -0.02 0.08 -0.05 0.01 0.01 -0.11 0.06 -0.12 0.12 0.01 0.02 -0.03 0.05 -0.12 0.09 0.03 -0.00 -0.01 0.02 -0.01 -0.03 0.02 -0.04 0.00 -0.10 0.15 0.01 -0.14 -0.16 -0.11 -0.00 0.12 0.06 0.02 -0.00 0.00 0.01 -0.04 -0.01 0.03 -0.05 0.00 -0.13 0.04 -0.08 0.05 0.09 -0.16 0.09 0.01 -0.08 0.07 -0.12 0.15 0.04 -0.06 0.11 0.08 -0.05 0.11 0.08 -0.05 0.09 0.04 0.00 -0.02 0.00 -0.05 -0.00 -0.13 0.19 -0.01 -0.21 0.07 -0.21 -0.19 -0.29 -0.15 -0.21 -0.28 -0.19 0.06 0.13 0.12 0.00 -0.04 -0.01 -0.20 -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.01 0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.03 0.01 0.02 0.00 0.00 -0.00 0.06 -0.01 -0.06 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 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 -0.05 0.05 -0.00 0.01 -0.00 0.03 0.12 -0.13 -0.00 -0.01 0.15 -0.07 -0.05 0.06 0.02 -0.17 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.42 0.09 0.41 0.49 0.09 0.17 -0.17 -0.15 -0.46 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.12 -0.01 -0.20 0.18 0.09 0.25 0.17 0.03 0.33 -0.02 0.00 -0.05 0.01 0.00 -0.01 0.01 0.01 0.13 -0.05 -0.11 -0.36 0.01 0.00 -0.05 0.01 -0.05 -0.06 0.04 -0.02 0.00 -0.03 -0.00 -0.03 -0.03 0.01 -0.15 -0.03 -0.01 -0.02 0.11 -0.03 -0.01 -0.18 0.08 -0.10 0.02 -0.08 0.09 0.05 -0.02 0.08 0.02 -0.00 0.02 -0.01 0.02 0.06 0.14 0.00 0.08 -0.18 0.07 0.04 -0.11 0.00 0.12 0.05 -0.02 -0.05 0.03 -0.03 -0.03 0.05 -0.03 0.00 -0.03 -0.02 -0.02 -0.04 -0.00 -0.03 -0.03 -0.02 -0.03 -0.04 -0.02 -0.03 -0.26 0.12 -0.17 0.06 -0.13 0.16 0.08 -0.04 0.10 0.03 -0.05 0.03 0.03 0.02 0.02 0.03 0.03 0.03 -0.03 0.04 0.10 -0.25 0.14 0.07 0.07 -0.04 -0.12 -0.05 -0.06 0.01 0.08 0.02 0.22 -0.06 -0.09 -0.13 -0.03 -0.07 0.01 0.05 0.00 -0.02 -0.04 0.01 0.03 -0.02 -0.03 -0.01 -0.04 0.04 -0.02 -0.03 -0.01 -0.03 0.12 -0.03 -0.13 0.05 0.04 0.05 -0.05 -0.12 0.03 0.06 0.07 0.04 -0.03 -0.09 0.03 -0.07 -0.12 0.04 0.11 0.24 -0.10 -0.02 0.00 0.01 0.02 0.08 -0.01 -0.06 0.03 0.01 -0.02 -0.10 0.05 0.00 0.07 -0.02 0.09 0.25 -0.09 -0.02 0.02 -0.02 0.14 0.01 -0.36 0.33 -0.15 -0.06 0.05 0.02 0.08 0.03 0.09 0.05 0.08 0.11 0.05 0.07 0.10 0.04 -0.13 -0.22 0.08 0.16 0.34 -0.13 -0.01 -0.02 0.01 0.01 0.11 -0.03 0.00 0.05 -0.02 0.01 0.06 -0.01 -0.07 0.04 0.03 -0.03 0.01 0.01 0.00 0.02 -0.05 -0.11 0.01 -0.03 -0.01 -0.00 0.04 -0.05 -0.02 -0.08 -0.00 -0.01 0.04 -0.08 0.00 0.03 0.18 0.13 -0.04 0.10 -0.00 -0.04 0.15 -0.17 0.03 0.08 0.05 -0.04 -0.13 0.08 0.07 -0.03 -0.03 -0.02 0.04 -0.03 0.02 -0.02 -0.09 -0.01 -0.01 -0.02 0.01 -0.03 -0.01 0.05 0.02 0.10 -0.01 0.04 0.12 -0.03 -0.05 -0.11 -0.02 0.28 -0.04 -0.00 -0.03 -0.02 0.01 -0.02 0.04 0.06 -0.03 0.12 0.00 -0.01 -0.07 0.01 -0.16 0.01 0.30 -0.30 0.23 0.00 -0.01 0.02 -0.05 -0.00 -0.07 -0.02 -0.03 -0.11 -0.02 -0.03 -0.10 -0.02 -0.09 -0.03 0.03 0.07 0.13 0.00 -0.03 0.23 -0.05 -0.08 -0.07 -0.02 -0.04 -0.12 -0.02 -0.07 -0.14 -0.04 0.40 -0.06 -0.00 -0.02 -0.00 0.06 -0.15 -0.14 0.04 0.10 -0.02 0.05 -0.21 0.01 0.07 -0.17 0.13 -0.04 0.29 0.10 0.54 0.02 -0.01 0.01 0.01 0.02 0.07 -0.04 -0.11 -0.39 0.01 -0.01 -0.02 -0.00 -0.04 -0.11 0.03 0.00 0.00 -0.02 -0.01 -0.02 -0.04 0.00 -0.11 -0.02 -0.00 -0.02 -0.01 0.01 0.01 -0.04 -0.03 -0.12 0.02 -0.05 -0.14 0.02 0.01 0.05 0.01 -0.00 0.01 0.01 0.02 0.05 -0.10 0.09 0.16 -0.04 -0.08 -0.20 0.05 -0.08 -0.17 0.02 -0.02 -0.03 0.02 -0.00 0.01 0.02 0.04 -0.01 -0.03 -0.03 -0.01 -0.03 -0.02 -0.02 -0.03 -0.01 -0.02 -0.03 -0.01 -0.02 0.02 -0.05 -0.07 -0.05 -0.04 -0.18 0.03 0.00 0.07 0.02 -0.04 0.03 0.02 0.02 0.01 0.02 0.02 0.02 0.00 0.03 0.08 -0.06 -0.10 -0.18 0.02 -0.04 -0.08 -0.03 -0.01 -0.01 -0.07 -0.03 -0.16 0.01 0.08 0.10 0.04 0.09 -0.01 -0.05 -0.00 -0.06 0.02 0.03 0.01 0.02 -0.12 -0.01 0.02 -0.03 0.00 -0.02 -0.04 -0.04 -0.02 -0.03 -0.11 0.07 0.05 0.06 -0.04 -0.21 0.08 0.09 0.06 0.07 -0.00 -0.06 0.02 -0.08 -0.18 0.10 -0.05 -0.14 0.09 0.00 0.03 0.01 -0.00 0.06 -0.02 0.04 0.00 0.01 0.00 0.06 -0.02 0.08 0.22 -0.04 0.02 0.09 0.01 -0.01 -0.01 -0.01 -0.03 -0.04 -0.20 0.07 -0.08 -0.08 0.09 0.10 0.07 0.09 0.11 0.07 0.11 0.10 0.08 0.11 0.10 0.07 -0.14 -0.24 0.11 -0.07 -0.25 0.15 -0.01 0.05 0.01 -0.03 0.16 -0.06 -0.03 0.01 -0.04 -0.03 0.01 -0.04 0.07 0.01 0.03 0.19 0.46 -0.14 -0.04 -0.04 -0.02 0.22 -0.12 -0.08 -0.16 -0.04 -0.08 -0.13 0.04 -0.17 -0.09 -0.01 -0.07 0.03 -0.01 0.02 -0.01 0.01 0.04 -0.02 -0.06 -0.20 -0.02 0.01 -0.01 0.00 -0.02 -0.05 0.03 -0.00 0.02 -0.02 -0.02 -0.02 0.00 0.04 -0.03 -0.03 -0.01 -0.03 0.04 0.01 0.03 -0.08 0.08 0.05 0.08 0.11 0.27 -0.00 0.01 0.03 0.01 -0.01 0.01 -0.02 0.02 0.02 -0.06 -0.01 -0.05 -0.05 0.11 0.29 0.08 0.09 0.33 -0.01 0.00 -0.02 0.04 0.01 0.01 0.03 0.01 0.01 -0.03 -0.05 -0.02 -0.03 -0.04 -0.02 -0.04 -0.02 -0.03 -0.04 -0.02 -0.03 -0.19 0.10 -0.03 0.18 0.10 0.33 0.00 0.00 0.03 0.02 -0.05 0.03 0.02 0.02 0.02 0.02 0.02 0.02 -0.03 0.03 0.04 -0.21 0.16 0.38 0.00 -0.01 -0.05 -0.02 0.00 0.00 0.00 -0.01 -0.02 0.01 0.01 0.02 0.00 0.01 -0.01 0.16 -0.07 0.13 0.01 0.07 -0.05 0.02 0.00 -0.01 -0.03 0.02 0.00 0.01 0.03 0.03 0.16 -0.03 0.09 -0.10 -0.12 -0.07 -0.01 -0.04 0.02 -0.15 -0.01 -0.15 -0.00 -0.02 0.01 -0.02 -0.08 0.04 -0.02 -0.05 0.01 -0.07 0.09 -0.05 0.05 0.01 0.05 0.02 0.05 -0.04 0.00 0.01 -0.00 0.03 0.06 -0.03 0.01 0.05 -0.03 -0.08 0.05 -0.00 0.20 0.07 -0.01 0.25 -0.06 0.12 -0.16 -0.27 -0.08 -0.17 -0.24 -0.10 -0.16 -0.06 -0.16 -0.17 -0.07 -0.13 -0.05 -0.14 0.07 -0.04 -0.10 0.03 -0.10 0.14 -0.07 0.13 -0.25 0.17 0.13 0.15 0.10 0.14 0.16 0.11 0.07 0.03 -0.05 0.07 0.11 -0.06 -0.12 0.04 0.02 -0.05 0.03 -0.02 -0.03 -0.02 -0.02 -0.02 0.03 0.00 0.02 0.02 0.00 -0.02 -0.15 0.01 0.02 0.07 -0.01 0.02 -0.17 0.06 -0.01 -0.01 0.00 -0.04 -0.10 -0.05 -0.06 -0.11 -0.07 0.03 -0.09 0.05 0.04 -0.08 0.03 0.02 0.13 -0.02 0.02 -0.05 0.00 0.11 0.17 -0.05 0.07 0.08 -0.04 -0.04 0.09 -0.01 0.07 0.19 0.03 0.05 0.04 0.00 0.00 -0.00 0.00 -0.01 -0.08 0.07 -0.06 -0.12 0.07 -0.06 0.01 -0.02 -0.04 -0.07 -0.08 -0.02 -0.10 -0.05 0.02 -0.12 0.04 0.01 -0.12 0.04 0.06 0.18 0.00 0.05 0.19 0.01 0.17 0.38 -0.16 0.18 0.27 -0.10 -0.07 0.13 -0.02 0.10 0.06 0.09 0.11 0.26 0.05 0.11 0.26 0.06 0.09 0.05 0.03 -0.01 -0.12 0.07 -0.12 -0.02 -0.03 -0.11 0.04 -0.02 -0.06 -0.07 -0.02 -0.06 0.09 0.01 0.06 0.04 -0.02 0.05 0.18 -0.02 -0.03 -0.03 -0.01 0.10 -0.12 -0.05 -0.08 0.05 -0.00 0.06 0.03 0.09 0.14 0.03 0.06 -0.02 0.13 -0.05 0.10 -0.15 0.04 0.01 -0.10 0.03 0.06 -0.13 0.01 0.13 0.07 0.00 0.12 0.04 -0.03 -0.07 -0.03 -0.03 -0.06 -0.17 -0.02 -0.10 0.01 -0.03 0.01 -0.02 -0.00 0.06 -0.04 0.09 -0.02 -0.04 0.06 -0.05 0.04 0.02 0.13 0.02 -0.11 0.24 -0.12 0.10 -0.00 0.16 -0.02 -0.00 0.18 -0.04 -0.04 -0.16 0.01 -0.03 -0.16 -0.00 0.15 0.24 -0.11 0.26 0.19 -0.05 -0.07 -0.03 -0.04 -0.10 -0.02 -0.10 -0.11 -0.25 -0.05 -0.11 -0.25 -0.06 -0.14 0.00 -0.07 0.10 -0.04 0.07 -0.01 0.08 0.05 0.12 -0.05 0.01 0.14 -0.09 -0.10 -0.08 -0.02 0.17 0.05 0.21 -0.07 0.03 0.05 0.01 0.03 0.02 -0.03 -0.09 0.07 0.04 0.08 -0.05 0.01 -0.06 0.05 0.06 0.04 0.02 0.02 -0.01 0.03 -0.02 -0.20 -0.12 0.03 -0.01 -0.03 -0.00 -0.19 -0.21 0.11 -0.09 0.11 -0.11 -0.03 0.15 -0.05 0.05 0.02 -0.03 -0.01 -0.04 -0.00 0.10 -0.03 -0.02 -0.04 -0.06 0.03 -0.14 -0.04 -0.05 -0.02 -0.01 -0.02 0.04 -0.02 0.02 0.06 0.07 -0.10 0.13 -0.07 0.05 -0.01 0.02 -0.01 -0.01 0.04 -0.02 -0.02 -0.05 -0.01 -0.02 -0.05 -0.01 0.04 0.37 -0.22 0.04 0.44 -0.21 0.04 0.03 -0.04 -0.02 -0.02 -0.02 -0.02 -0.06 -0.01 -0.02 -0.06 -0.01 0.14 -0.04 -0.03 -0.20 0.01 -0.03 0.00 -0.03 0.04 0.06 -0.02 -0.01 -0.08 0.08 0.07 0.08 0.02 -0.04 -0.00 -0.13 0.06 -0.00 0.06 -0.04 0.04 0.06 -0.07 -0.07 -0.11 0.11 0.05 -0.04 0.02 -0.06 0.00 0.25 0.05 -0.10 0.06 0.01 0.07 -0.01 -0.08 -0.04 -0.05 0.04 -0.01 0.04 0.03 0.10 -0.08 -0.09 0.01 -0.09 -0.01 0.00 0.01 -0.02 0.08 -0.11 -0.01 -0.03 -0.01 0.11 0.00 -0.08 0.03 0.04 -0.03 -0.09 0.06 -0.05 -0.05 -0.09 0.05 -0.03 0.03 0.04 0.08 -0.04 -0.29 0.25 -0.48 0.15 0.02 0.10 0.02 0.02 0.14 0.00 0.02 -0.02 0.04 0.03 -0.02 0.03 -0.11 0.05 -0.13 0.00 0.02 0.00 -0.07 0.12 -0.17 -0.04 0.06 -0.06 -0.05 -0.08 -0.03 -0.04 -0.08 -0.03 0.18 -0.04 -0.14 -0.11 0.20 -0.07 -0.10 0.03 0.13 -0.03 -0.01 -0.03 -0.16 -0.15 0.16 -0.10 0.28 0.05 0.25 -0.05 -0.10 -0.02 -0.07 0.02 -0.01 -0.02 0.01 0.02 0.22 0.27 0.01 0.00 0.00 0.02 0.06 0.03 -0.07 0.03 -0.03 0.00 -0.07 0.02 0.01 -0.00 -0.19 -0.01 0.02 -0.02 0.08 -0.13 -0.10 -0.08 -0.08 -0.18 0.10 -0.06 0.05 0.01 -0.05 -0.03 0.02 0.05 0.01 -0.02 -0.03 -0.01 0.12 -0.11 -0.06 -0.10 0.02 0.00 0.05 0.11 0.03 0.03 -0.00 0.02 -0.07 0.02 0.13 -0.16 0.15 -0.07 -0.01 -0.08 0.00 -0.01 -0.11 0.01 0.00 0.05 -0.01 -0.00 0.05 -0.01 -0.23 -0.14 -0.22 0.17 -0.15 0.15 0.02 -0.09 -0.05 0.03 -0.02 0.04 0.04 0.09 0.02 0.04 0.08 0.02 -0.05 -0.05 -0.07 -0.26 0.02 0.10 0.06 0.02 0.04 -0.01 -0.00 0.00 0.09 -0.08 -0.01 -0.12 -0.03 0.03 0.02 0.12 -0.03 -0.05 -0.01 -0.05 0.02 0.03 -0.01 -0.01 -0.10 -0.04 -0.01 0.00 0.00 0.01 -0.03 0.16 -0.02 -0.13 0.05 0.01 0.02 0.01 0.10 0.20 -0.08 0.04 0.02 0.03 0.03 0.04 -0.01 0.02 0.03 0.01 -0.03 -0.09 0.03 -0.04 0.04 -0.06 0.00 0.03 -0.00 0.03 0.02 -0.05 -0.04 -0.06 0.04 -0.01 -0.07 0.04 0.08 0.17 -0.07 -0.04 0.03 0.02 -0.01 -0.14 -0.12 0.05 -0.37 0.08 0.03 0.04 0.02 0.02 0.06 0.02 0.04 0.03 0.04 0.04 0.03 0.03 -0.09 -0.26 0.15 -0.15 -0.38 0.16 -0.07 0.06 -0.11 -0.01 0.07 -0.02 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.04 -0.00 -0.09 -0.14 -0.41 0.17 -0.07 0.04 0.07 -0.01 -0.00 -0.02 0.07 0.17 -0.12 -0.02 -0.19 0.03 -0.09 0.10 0.20 -0.02 -0.03 0.00 0.02 0.03 0.11 0.12 0.07 0.13 -0.04 0.02 -0.01 0.09 0.06 0.04 -0.02 0.02 -0.03 0.00 -0.04 0.01 0.09 -0.12 -0.18 -0.01 0.01 -0.01 0.06 -0.10 -0.12 -0.02 -0.07 -0.18 0.12 -0.04 0.03 -0.04 -0.09 -0.11 0.00 0.02 0.00 -0.07 -0.03 -0.06 -0.12 0.06 0.00 -0.05 0.04 0.07 0.02 0.06 0.09 0.00 0.04 0.07 -0.05 -0.03 0.08 -0.10 0.10 -0.06 -0.00 -0.04 0.00 0.00 -0.06 0.01 0.01 0.02 -0.00 0.00 0.02 -0.00 -0.19 -0.02 -0.33 0.27 -0.06 0.13 -0.07 -0.17 -0.27 0.01 -0.01 0.02 0.02 0.04 0.01 0.01 0.04 0.01 -0.13 -0.11 -0.25 -0.19 0.13 0.13 0.04 0.09 0.13 -0.01 0.01 0.00 0.03 -0.08 0.04 -0.05 0.02 -0.02 0.01 0.02 -0.05 -0.04 -0.06 -0.02 0.02 0.09 0.19 -0.01 0.06 -0.13 0.01 -0.01 -0.01 0.01 0.09 0.08 -0.04 0.01 -0.03 0.00 -0.06 0.02 -0.01 0.03 0.05 -0.00 0.01 -0.00 0.03 0.09 0.02 -0.01 -0.06 0.09 0.02 0.08 -0.03 -0.01 -0.10 -0.17 0.01 0.03 -0.00 -0.02 -0.06 -0.09 0.01 -0.04 0.03 0.08 0.07 -0.04 -0.06 -0.17 0.05 0.04 0.04 0.11 -0.04 0.02 -0.08 -0.02 -0.09 -0.02 0.00 -0.06 0.02 -0.00 -0.06 0.02 0.02 0.04 0.01 0.01 0.04 0.01 0.07 -0.02 0.11 0.03 0.20 -0.11 -0.05 -0.25 -0.44 0.02 -0.01 0.02 0.02 0.05 0.01 0.02 0.06 0.01 -0.05 -0.18 -0.36 0.23 0.29 -0.17 0.06 0.09 0.21 -0.00 -0.01 0.01 -0.12 0.08 -0.05 0.19 0.08 -0.02 -0.03 -0.11 -0.00 -0.02 -0.03 -0.01 0.02 0.07 0.15 -0.01 0.02 -0.10 0.01 -0.01 -0.01 -0.00 0.05 0.04 -0.02 0.01 -0.02 0.00 -0.03 0.01 -0.04 -0.04 0.08 -0.00 0.01 -0.00 -0.10 -0.20 0.14 0.05 0.13 0.02 -0.05 -0.08 0.02 -0.01 -0.07 -0.13 0.00 0.02 -0.00 -0.01 -0.04 -0.06 0.06 0.07 -0.02 -0.04 -0.15 0.04 0.10 0.23 -0.13 0.03 0.03 0.08 -0.01 0.02 -0.07 0.01 -0.05 -0.01 0.00 -0.03 0.01 -0.00 -0.03 0.01 0.01 0.02 0.00 0.00 0.02 0.00 0.15 0.22 0.01 -0.10 -0.10 0.00 -0.03 -0.18 -0.33 0.01 -0.01 0.01 0.01 0.03 0.00 0.01 0.03 0.01 -0.03 -0.13 -0.26 -0.12 -0.47 0.15 0.04 0.06 0.15 0.02 -0.01 -0.00 0.01 -0.02 0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.00 0.02 0.02 0.02 0.02 0.05 0.11 0.03 -0.05 0.06 0.03 0.12 0.24 0.01 -0.05 -0.06 0.02 0.01 -0.00 -0.00 0.02 -0.01 0.02 0.01 0.03 -0.00 -0.00 -0.00 0.03 0.02 0.00 -0.07 0.06 0.06 0.02 -0.04 -0.05 0.00 0.03 0.05 -0.00 -0.01 0.00 -0.04 -0.09 -0.20 0.01 -0.00 0.02 -0.08 0.02 -0.03 -0.04 0.01 -0.03 -0.04 -0.07 -0.15 0.01 -0.01 0.07 -0.02 0.12 -0.02 -0.00 0.03 -0.02 0.00 0.02 -0.01 -0.01 -0.01 -0.01 -0.01 -0.02 -0.01 -0.09 0.03 0.06 -0.00 -0.07 -0.04 -0.02 -0.01 -0.05 -0.01 0.00 -0.01 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 -0.10 -0.26 -0.58 -0.05 -0.03 -0.03 -0.09 -0.24 -0.50 -0.05 0.02 0.00 -0.02 0.05 -0.01 0.01 -0.01 0.03 0.02 -0.02 0.01 -0.05 -0.06 -0.04 -0.03 -0.04 -0.09 -0.07 0.12 -0.16 0.05 0.07 0.17 -0.02 0.14 0.20 -0.05 -0.03 0.02 0.01 -0.06 0.02 -0.05 -0.01 -0.06 0.01 0.01 0.00 -0.08 -0.06 0.01 0.15 -0.14 -0.13 -0.03 0.09 0.11 0.04 0.05 0.10 0.01 0.04 -0.00 -0.00 -0.06 -0.08 -0.02 0.01 -0.03 0.18 -0.04 0.06 0.09 -0.02 0.07 0.00 -0.08 -0.15 -0.03 0.02 -0.18 0.04 -0.32 0.06 0.01 -0.06 0.03 -0.00 -0.04 0.02 0.02 0.04 0.02 0.02 0.04 0.02 0.22 -0.07 -0.15 0.02 0.18 0.08 0.08 0.11 0.28 0.02 0.00 0.01 0.02 0.05 0.01 0.02 0.05 0.01 -0.00 -0.10 -0.18 0.12 0.08 0.07 -0.04 -0.19 -0.37 0.01 -0.01 -0.02 -0.02 -0.08 -0.05 0.08 0.04 -0.09 -0.12 0.05 0.04 -0.08 -0.07 -0.05 -0.01 -0.10 -0.16 0.08 0.15 -0.07 -0.03 0.02 0.00 0.11 0.15 0.22 -0.05 -0.07 0.02 0.01 -0.08 0.03 0.06 0.02 0.06 0.01 0.01 0.01 0.14 -0.12 0.12 -0.18 0.08 0.15 0.21 -0.11 -0.14 -0.01 0.01 0.08 0.01 0.05 -0.00 -0.03 0.03 0.04 0.04 0.04 0.10 -0.16 0.06 -0.10 -0.03 -0.04 -0.03 -0.02 -0.01 -0.05 -0.07 -0.12 -0.05 -0.06 -0.28 0.03 0.01 -0.06 0.03 0.01 -0.06 0.03 0.04 0.05 0.03 0.03 0.05 0.02 -0.13 0.17 0.11 0.27 0.03 -0.20 0.02 0.13 0.30 0.02 0.01 0.01 0.02 0.06 0.01 0.02 0.07 0.01 -0.04 0.10 0.19 -0.04 0.12 -0.18 0.01 0.00 -0.05 0.08 -0.03 0.02 -0.02 0.17 0.02 -0.05 -0.04 0.13 0.18 -0.12 -0.07 -0.07 -0.02 -0.04 0.07 -0.05 -0.01 0.18 0.06 -0.08 -0.08 0.06 -0.01 0.25 -0.04 0.03 0.02 -0.16 0.06 -0.01 -0.01 0.00 0.11 0.02 0.02 0.03 0.01 0.03 -0.19 -0.10 -0.07 -0.05 0.01 0.13 -0.17 0.08 -0.09 -0.08 -0.01 0.02 0.01 0.03 -0.00 -0.05 0.06 -0.02 -0.07 -0.02 -0.16 -0.02 0.08 0.06 -0.18 0.01 -0.03 -0.08 0.04 -0.01 -0.09 -0.41 0.27 -0.19 -0.08 -0.01 0.01 0.03 -0.02 0.03 -0.00 0.01 0.05 0.02 0.04 0.04 0.03 0.02 -0.12 0.11 0.02 -0.06 0.23 -0.13 -0.13 0.10 0.04 -0.00 0.07 -0.02 -0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.12 0.09 0.01 0.14 0.12 -0.03 -0.03 0.07 -0.01 0.03 -0.01 0.00 0.01 0.08 0.01 -0.10 -0.07 0.05 0.10 -0.04 -0.03 0.01 -0.04 0.00 -0.06 -0.00 -0.06 0.04 -0.12 -0.02 0.03 -0.02 0.02 -0.10 0.21 0.13 -0.06 0.22 -0.11 0.02 -0.08 0.04 0.03 -0.11 0.08 -0.04 -0.00 -0.04 0.07 0.11 -0.12 -0.00 0.13 0.10 -0.00 -0.08 -0.07 0.05 -0.04 0.01 -0.00 0.00 -0.00 -0.03 -0.05 0.04 -0.05 -0.02 -0.07 -0.04 -0.01 0.07 -0.06 0.07 -0.05 0.07 -0.05 -0.01 0.03 0.44 -0.38 0.17 -0.01 -0.03 0.00 -0.12 0.06 -0.03 -0.09 0.02 -0.04 0.03 -0.03 -0.02 0.02 -0.00 -0.03 0.18 0.05 -0.02 -0.28 0.05 0.15 -0.05 0.21 0.03 -0.12 0.05 0.04 0.07 0.02 0.03 0.06 0.03 0.00 -0.06 0.04 0.03 -0.14 0.05 0.09 -0.02 0.03 0.00 -0.00 0.00 0.00 -0.02 0.01 0.01 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 0.03 0.01 -0.00 0.00 0.00 0.01 0.02 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.01 0.01 -0.02 -0.05 -0.11 0.00 0.00 0.00 0.01 0.02 0.04 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.02 -0.05 -0.00 -0.02 0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.03 -0.00 0.01 0.12 0.36 0.75 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.12 -0.29 -0.01 0.01 0.00 0.06 0.17 0.36 0.02 -0.01 0.01 0.04 -0.12 0.06 0.03 0.04 -0.04 -0.06 0.05 0.02 -0.03 -0.01 -0.02 0.04 -0.03 -0.02 0.10 0.05 -0.04 -0.03 0.02 -0.01 0.12 0.03 0.02 0.02 -0.04 0.01 -0.00 -0.02 0.01 -0.07 -0.23 0.06 0.00 0.00 0.01 0.01 0.23 -0.09 0.02 -0.01 -0.08 -0.14 0.02 0.05 -0.02 -0.00 0.04 0.00 0.01 -0.00 -0.02 0.01 -0.02 0.02 0.00 0.04 -0.05 -0.10 0.04 0.00 0.10 -0.05 -0.02 0.02 0.01 -0.03 -0.16 0.13 -0.08 0.02 -0.03 -0.01 -0.01 -0.03 0.03 -0.02 0.02 0.05 -0.01 0.02 0.01 0.02 -0.03 0.19 0.52 -0.36 -0.29 -0.22 0.12 -0.09 -0.06 -0.18 0.01 0.01 -0.01 0.01 -0.01 -0.00 0.01 0.03 -0.01 -0.05 0.07 0.08 0.02 0.17 -0.05 -0.01 -0.02 -0.11 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 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.02 0.00 -0.00 -0.00 0.05 -0.01 -0.05 -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 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.02 0.00 0.01 0.08 0.05 0.30 -0.30 -0.00 -0.09 -0.44 0.28 -0.12 0.05 -0.19 0.51 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.09 0.02 0.08 -0.12 0.29 0.01 -0.08 -0.25 0.18 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 0.01 -0.01 -0.02 0.12 -0.04 -0.14 -0.09 0.04 0.09 -0.05 -0.05 -0.00 0.01 0.00 -0.00 0.01 0.04 -0.13 0.19 -0.04 0.03 -0.00 -0.00 -0.03 -0.08 -0.08 0.02 -0.14 0.08 -0.02 0.05 -0.03 -0.12 -0.07 0.11 0.03 0.00 0.02 0.16 0.09 0.02 -0.03 0.03 0.08 0.18 -0.11 0.01 -0.01 0.02 -0.03 0.01 0.00 0.00 0.04 0.01 -0.01 -0.02 0.00 -0.04 -0.03 -0.10 -0.01 0.14 0.03 -0.00 -0.01 0.01 -0.01 -0.01 -0.21 0.16 -0.06 -0.09 0.05 -0.00 0.07 -0.00 -0.03 0.05 -0.03 -0.03 0.01 0.00 0.01 -0.04 0.06 0.32 0.52 -0.05 0.15 -0.23 0.07 -0.00 0.08 0.06 -0.03 0.10 -0.03 -0.04 -0.01 -0.01 -0.03 -0.07 -0.00 0.04 -0.02 -0.07 0.12 0.21 -0.15 -0.03 0.03 0.07 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.05 -0.00 0.00 0.00 0.01 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 -0.01 -0.01 -0.03 -0.00 -0.00 0.00 -0.02 -0.07 -0.16 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.00 0.01 0.01 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 0.07 0.16 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.10 0.37 0.82 -0.00 0.00 0.00 0.05 0.14 0.29 0.01 -0.01 0.00 0.00 -0.01 0.00 0.02 0.01 -0.00 -0.01 0.01 0.02 0.01 0.00 0.01 -0.02 0.01 -0.00 -0.02 -0.04 0.02 0.00 -0.01 0.00 -0.04 -0.01 -0.00 -0.01 0.02 -0.00 0.00 0.01 -0.00 0.06 0.12 -0.07 -0.01 0.00 -0.00 -0.02 -0.05 -0.02 -0.03 -0.10 0.06 -0.00 -0.01 -0.04 0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.02 -0.07 0.08 -0.02 0.06 -0.03 0.01 -0.01 -0.00 0.01 0.08 -0.07 0.04 -0.01 0.01 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.21 0.56 -0.26 0.04 0.00 -0.02 0.03 -0.01 0.00 0.00 -0.02 0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 0.02 -0.01 -0.00 0.31 0.58 -0.22 -0.00 -0.01 0.01 0.04 -0.01 0.01 0.03 -0.08 0.04 0.07 0.04 -0.01 -0.05 0.05 0.07 0.01 -0.01 0.01 -0.06 0.02 0.02 -0.15 0.18 -0.04 0.06 -0.02 -0.00 -0.12 -0.03 -0.07 -0.01 -0.10 0.08 -0.03 0.04 -0.04 -0.01 -0.12 -0.03 0.03 -0.00 0.03 0.01 -0.04 -0.18 0.09 0.05 0.05 0.02 -0.11 -0.24 0.02 0.04 -0.02 0.01 0.02 0.01 0.03 -0.03 0.01 -0.02 -0.00 -0.02 0.15 0.11 0.28 -0.23 0.06 -0.03 0.02 0.01 -0.01 0.01 -0.06 -0.01 0.03 -0.19 0.10 -0.03 0.03 -0.02 -0.03 0.04 -0.04 -0.00 -0.06 0.01 0.00 -0.04 0.00 -0.25 -0.20 0.03 0.22 -0.15 -0.10 0.07 -0.03 -0.01 -0.02 0.16 -0.07 -0.04 -0.08 -0.02 -0.03 -0.05 -0.04 0.05 -0.04 -0.01 0.21 -0.33 0.33 -0.06 -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 -0.01 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 -0.00 0.00 0.00 0.02 0.04 0.08 -0.00 0.00 -0.00 0.00 0.01 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.07 -0.14 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 -0.19 -0.41 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.07 -0.17 -0.00 -0.00 0.00 0.14 0.36 0.76 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.07 -0.12 0.06 -0.00 -0.02 0.00 0.38 0.06 -0.09 0.01 -0.00 0.03 0.01 0.02 -0.03 0.01 0.00 0.06 0.01 0.01 -0.00 -0.02 0.01 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.23 -0.02 0.05 -0.01 -0.04 -0.03 0.07 -0.14 0.06 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.15 0.25 -0.10 -0.00 -0.00 0.05 -0.05 0.07 -0.05 -0.00 0.01 -0.09 0.17 0.02 0.10 0.06 0.18 0.02 -0.04 -0.04 -0.04 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.05 -0.28 0.12 -0.02 -0.21 0.12 0.03 0.19 0.02 0.01 -0.05 0.10 -0.30 -0.07 0.06 0.00 0.02 -0.01 -0.44 0.15 0.04 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 0.05 -0.02 0.01 0.02 -0.01 -0.06 -0.14 0.06 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.01 -0.02 0.01 0.02 0.05 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.05 -0.12 0.05 0.35 0.83 -0.35 -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 0.04 0.10 -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 0.01 0.00 -0.02 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.03 -0.01 0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.05 0.02 0.07 -0.00 0.00 -0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.02 0.00 -0.01 0.03 -0.03 -0.05 -0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.01 -0.01 0.04 -0.04 0.01 -0.03 -0.12 -0.02 -0.38 0.41 0.00 0.18 0.16 0.35 0.08 -0.15 -0.28 -0.10 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.03 -0.01 -0.13 -0.07 0.17 -0.07 0.40 0.01 -0.07 -0.31 0.19 0.03 0.01 0.00 0.01 -0.00 0.01 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 0.01 -0.03 0.01 -0.02 0.00 -0.00 0.02 -0.02 0.01 0.03 -0.00 -0.01 -0.01 0.04 -0.00 0.01 0.02 -0.00 -0.12 -0.03 -0.08 0.01 0.01 -0.00 0.06 -0.05 0.08 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.01 0.00 0.00 0.08 0.11 0.04 -0.01 -0.03 0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.02 -0.01 0.03 0.06 0.00 0.01 0.03 -0.00 -0.18 -0.13 -0.22 -0.03 -0.12 -0.07 0.02 -0.15 0.05 -0.07 -0.31 -0.00 0.00 0.00 -0.00 -0.01 0.04 -0.00 0.02 -0.04 0.02 -0.11 0.68 -0.20 -0.20 -0.08 -0.08 -0.14 -0.28 -0.09 -0.03 -0.02 0.03 -0.01 0.03 -0.03 -0.03 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -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 -0.02 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.04 0.10 -0.04 0.01 0.03 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.05 -0.10 0.05 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.56 0.25 -0.06 -0.15 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 0.25 0.61 -0.26 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.06 -0.01 0.11 -0.08 0.01 -0.14 -0.02 -0.01 -0.05 0.05 -0.01 0.03 -0.10 0.16 0.08 0.12 -0.14 -0.01 -0.10 0.02 -0.09 0.02 -0.01 0.00 -0.05 0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.04 -0.05 -0.06 -0.10 -0.16 0.09 0.01 0.06 0.00 0.18 0.17 -0.11 0.00 0.00 -0.00 0.05 0.01 0.08 -0.01 0.01 -0.00 -0.08 -0.01 0.02 0.06 0.09 0.25 -0.15 0.51 -0.24 -0.00 -0.05 0.01 -0.05 -0.12 -0.01 -0.03 -0.10 -0.01 0.01 -0.05 0.03 0.03 0.01 0.01 0.07 -0.05 -0.05 -0.24 -0.00 0.04 0.00 0.13 -0.05 -0.02 -0.01 -0.02 -0.01 0.04 -0.04 0.22 0.17 -0.13 0.07 -0.02 0.08 0.20 0.11 -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 0.12 -0.15 0.20 0.01 -0.01 -0.02 -0.00 -0.00 -0.04 -0.00 0.01 -0.00 0.02 0.05 0.12 -0.13 -0.11 -0.24 0.00 0.28 -0.07 0.00 -0.00 -0.00 -0.01 0.19 -0.07 -0.00 -0.00 0.01 0.00 0.01 0.01 -0.01 0.00 0.00 -0.02 -0.03 0.02 0.03 -0.16 0.08 0.02 0.02 -0.01 0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.11 -0.08 0.15 -0.33 0.09 -0.29 -0.04 0.13 -0.06 -0.05 0.06 -0.08 -0.12 0.03 -0.12 -0.08 0.05 -0.10 -0.01 -0.01 0.01 -0.02 0.00 -0.00 -0.03 -0.02 0.01 -0.04 0.13 -0.09 -0.12 -0.39 -0.00 -0.08 -0.35 -0.05 -0.01 0.02 -0.05 0.02 -0.00 -0.01 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 -0.04 0.03 0.00 -0.04 -0.01 -0.00 -0.03 -0.04 -0.01 0.01 -0.03 0.01 0.01 -0.00 0.10 0.15 -0.02 -0.11 -0.00 -0.03 0.01 -0.03 0.01 -0.01 0.01 -0.02 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 -0.01 -0.02 0.08 0.17 -0.10 -0.01 0.02 -0.00 -0.10 -0.08 0.05 -0.00 -0.00 0.01 0.01 0.00 0.02 -0.01 0.00 -0.00 0.04 -0.01 -0.00 0.06 -0.20 0.52 -0.33 0.42 -0.28 0.03 0.04 0.02 -0.03 -0.06 -0.00 -0.03 -0.03 -0.01 0.04 0.02 0.05 0.01 0.00 -0.00 0.01 -0.01 -0.02 0.07 0.21 -0.11 0.02 -0.02 -0.01 0.03 -0.00 0.00 0.02 0.08 -0.02 -0.18 -0.07 0.06 0.02 -0.00 0.02 -0.21 -0.10 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 -0.05 0.04 -0.07 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.05 0.04 0.05 -0.08 -0.15 -0.05 -0.01 0.01 0.00 0.07 0.26 0.01 0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 0.01 -0.00 0.04 -0.18 0.09 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.04 0.02 0.00 0.06 0.06 0.04 -0.14 -0.24 -0.12 -0.17 -0.23 -0.09 0.17 0.43 0.06 0.15 0.42 0.07 -0.00 -0.00 -0.02 -0.00 -0.00 -0.02 0.00 0.01 -0.01 -0.01 0.02 -0.02 -0.06 -0.32 0.03 -0.04 -0.33 0.02 0.01 -0.00 0.00 -0.01 0.01 0.02 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.02 0.03 -0.04 -0.06 -0.04 -0.01 0.05 -0.06 -0.09 0.03 -0.00 0.01 0.07 -0.03 0.01 0.03 -0.01 0.00 0.03 0.02 -0.02 0.03 -0.02 -0.01 -0.07 0.02 0.01 0.01 0.01 0.00 -0.04 0.03 0.02 -0.01 -0.01 -0.01 0.05 0.07 0.23 0.04 -0.09 -0.17 0.01 -0.06 -0.13 -0.02 0.02 -0.01 0.01 0.01 0.00 -0.06 -0.02 0.02 0.05 0.11 0.20 0.01 0.05 0.13 -0.11 0.04 -0.03 0.02 -0.03 0.01 -0.05 0.07 -0.21 0.12 -0.09 0.08 0.00 -0.02 0.01 0.01 0.03 0.01 -0.01 -0.03 -0.01 -0.04 -0.05 -0.03 -0.15 -0.07 -0.31 -0.25 -0.03 -0.30 -0.27 0.35 -0.11 -0.01 0.04 -0.01 -0.02 0.01 -0.01 -0.01 -0.02 -0.01 -0.23 0.01 0.03 -0.17 0.16 0.22 0.06 -0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 0.01 0.00 -0.01 0.02 0.03 0.01 -0.00 -0.00 0.07 -0.05 0.01 -0.02 0.02 -0.00 0.07 0.05 -0.04 0.01 -0.05 0.01 -0.05 0.04 0.00 0.01 -0.00 0.00 -0.02 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 -0.02 -0.06 -0.01 0.02 0.04 0.01 0.01 0.03 -0.03 0.04 -0.01 0.01 -0.00 0.01 -0.06 -0.01 0.02 -0.01 -0.02 -0.06 0.00 -0.01 -0.02 0.03 -0.01 0.01 0.03 -0.09 0.04 -0.02 0.10 -0.17 0.10 -0.03 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.03 -0.02 -0.02 0.05 0.01 0.09 0.09 -0.01 0.08 -0.50 0.64 -0.22 -0.01 0.04 -0.01 -0.02 -0.02 -0.00 -0.01 -0.04 -0.01 -0.35 0.05 0.03 0.06 -0.05 -0.05 0.08 -0.08 0.02 0.02 -0.01 0.00 -0.02 -0.07 0.04 -0.19 -0.12 0.02 -0.08 0.01 0.07 0.01 0.03 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 -0.03 0.00 -0.02 0.02 -0.01 0.01 -0.00 0.01 0.03 -0.09 0.03 0.04 -0.02 -0.00 -0.03 0.07 0.07 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.52 0.32 -0.22 -0.00 -0.03 -0.07 -0.21 0.08 -0.03 0.00 0.02 -0.01 -0.01 -0.01 0.00 -0.02 0.02 -0.01 -0.01 -0.02 -0.01 -0.03 -0.03 -0.01 0.02 0.03 0.02 0.01 0.01 0.02 0.22 -0.05 0.12 0.22 -0.09 0.33 0.03 -0.03 0.01 0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.02 0.00 0.03 -0.01 0.01 0.30 -0.22 -0.23 0.00 0.02 -0.01 -0.03 0.01 -0.00 0.04 -0.12 0.07 -0.02 -0.04 0.01 0.02 -0.03 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 0.00 0.01 -0.01 0.02 -0.02 0.00 -0.02 0.01 -0.00 0.01 -0.01 0.00 0.02 -0.01 -0.02 -0.01 0.00 -0.00 -0.08 -0.03 -0.03 -0.08 0.06 0.04 -0.00 -0.02 -0.08 0.03 0.01 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.05 0.33 -0.13 0.03 0.02 0.10 0.28 -0.11 0.01 -0.02 -0.02 0.01 -0.01 0.02 -0.06 0.03 0.00 0.02 0.00 -0.02 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.44 0.09 -0.17 -0.42 -0.03 -0.34 0.09 -0.08 0.01 -0.00 0.02 -0.01 -0.01 -0.01 -0.00 -0.01 -0.02 -0.00 -0.04 0.02 -0.00 -0.19 0.19 0.22 -0.18 -0.08 0.07 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.06 -0.01 0.00 0.00 -0.00 0.00 -0.02 0.01 -0.03 -0.07 0.04 -0.02 0.03 -0.01 0.06 0.01 0.02 -0.01 0.04 -0.02 -0.01 0.01 -0.01 0.02 -0.00 0.02 -0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 -0.01 -0.01 -0.08 -0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.07 0.03 0.00 0.02 -0.02 0.01 0.00 0.02 0.03 -0.01 0.00 0.08 0.12 -0.07 0.06 0.01 0.10 -0.05 0.01 -0.02 -0.01 0.05 -0.02 -0.01 0.02 -0.02 0.01 0.03 0.02 0.03 0.02 0.02 -0.04 0.01 -0.01 -0.04 -0.00 -0.04 -0.30 0.28 -0.08 0.01 -0.07 0.02 0.03 0.03 0.01 0.02 0.04 0.02 0.19 -0.12 0.04 -0.01 0.02 0.03 0.68 0.37 -0.29 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.10 0.18 0.03 0.07 -0.10 0.03 -0.02 0.05 -0.02 -0.12 -0.13 0.08 0.08 -0.14 0.05 -0.20 -0.00 -0.08 0.08 -0.14 0.10 -0.02 -0.01 0.00 -0.09 0.02 -0.08 -0.01 0.00 -0.02 -0.00 0.01 0.01 0.01 -0.00 0.01 0.04 0.12 -0.06 0.06 0.01 0.05 -0.02 -0.07 0.04 -0.04 -0.02 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 0.02 0.22 -0.11 -0.20 -0.03 -0.35 0.17 -0.01 0.05 0.07 -0.13 0.09 0.04 -0.06 0.08 -0.08 -0.12 -0.10 -0.15 -0.12 -0.11 0.04 -0.01 0.05 0.08 -0.01 0.06 0.20 -0.07 0.00 -0.03 0.32 -0.09 -0.14 -0.15 -0.03 -0.07 -0.20 -0.08 -0.01 -0.10 0.01 0.04 -0.03 -0.03 0.04 0.25 -0.12 -0.01 0.01 0.00 -0.04 0.08 -0.04 -0.04 0.00 0.00 -0.05 0.05 0.05 -0.00 -0.01 -0.00 0.02 -0.01 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.02 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.04 -0.01 -0.04 -0.00 0.00 -0.00 0.02 0.01 0.01 -0.10 0.06 0.03 -0.07 0.01 -0.03 0.01 0.01 -0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 0.25 -0.24 0.00 0.09 0.00 0.09 0.13 -0.07 -0.04 -0.01 0.01 -0.00 -0.01 0.00 -0.04 0.04 -0.01 0.03 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.58 0.11 -0.27 -0.42 0.08 -0.30 0.05 -0.03 0.02 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.04 0.01 0.01 0.28 -0.10 0.02 -0.07 -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 -0.01 0.14 0.26 0.09 -0.07 0.10 -0.04 0.02 -0.02 -0.00 0.07 0.03 -0.03 -0.06 0.12 -0.03 -0.11 -0.22 -0.13 -0.08 -0.17 -0.00 0.03 -0.01 -0.02 0.07 -0.04 0.05 0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.02 0.01 0.01 -0.06 -0.08 0.05 -0.04 0.02 -0.02 0.00 -0.02 0.01 -0.01 -0.00 0.03 0.00 -0.00 0.00 0.02 -0.01 -0.01 0.04 -0.08 0.03 -0.10 -0.25 0.16 -0.26 -0.14 -0.15 -0.04 -0.01 -0.09 -0.05 -0.21 -0.02 0.09 0.09 0.08 0.15 0.09 0.16 -0.13 0.04 -0.07 -0.08 0.03 -0.03 -0.25 0.14 -0.03 0.04 -0.14 0.03 0.09 0.08 0.03 0.05 0.18 0.03 0.10 -0.04 -0.00 0.06 -0.03 -0.02 0.40 0.06 -0.09 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.06 -0.03 0.06 0.06 -0.06 0.02 -0.01 0.02 -0.01 -0.04 -0.03 0.02 0.04 -0.06 0.04 -0.08 0.04 -0.04 -0.12 0.03 -0.15 -0.02 -0.00 0.00 0.12 -0.04 0.16 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 0.03 0.04 -0.03 -0.07 -0.00 -0.09 -0.01 0.00 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.06 -0.03 -0.04 0.13 -0.18 0.13 0.12 0.02 -0.16 -0.09 -0.12 -0.17 0.03 -0.17 0.23 0.15 0.22 0.20 0.15 0.12 0.04 -0.01 0.03 0.03 -0.01 0.01 0.12 -0.06 0.01 0.01 -0.39 0.14 0.19 0.31 0.04 0.10 0.25 0.16 -0.13 0.02 -0.01 -0.01 0.00 0.01 -0.19 -0.00 0.04 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.02 -0.03 -0.04 -0.01 -0.01 -0.00 -0.01 -0.02 0.01 -0.03 0.03 0.00 -0.00 -0.00 0.00 -0.02 -0.03 0.01 0.01 0.02 0.00 0.00 0.01 -0.00 0.06 -0.04 -0.06 0.00 0.00 0.00 0.04 -0.01 0.02 -0.05 0.03 0.01 -0.01 0.04 0.09 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.07 0.08 0.09 0.04 -0.03 -0.04 -0.04 0.01 -0.02 0.00 0.00 -0.00 0.02 0.05 0.00 0.02 0.03 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.47 0.07 -0.27 0.01 0.04 0.12 -0.02 0.04 -0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.03 0.01 -0.01 0.62 -0.39 -0.30 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 -0.03 0.02 0.03 -0.02 0.02 -0.01 0.00 -0.01 0.00 0.01 0.01 -0.00 -0.00 0.02 0.00 0.01 -0.02 -0.01 0.11 -0.03 -0.09 -0.00 0.00 -0.00 -0.11 0.02 0.09 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.07 -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 -0.01 0.00 -0.03 -0.10 0.05 -0.00 0.08 -0.01 0.04 -0.36 0.33 -0.21 0.41 -0.13 0.25 -0.10 0.16 -0.14 0.07 -0.29 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.01 0.00 -0.13 0.05 0.12 -0.10 0.30 -0.05 -0.03 -0.29 0.15 0.04 -0.01 -0.00 0.00 0.00 0.00 0.05 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.16 -0.09 0.07 -0.07 0.09 -0.04 -0.00 0.01 -0.01 -0.05 -0.10 0.05 -0.01 0.03 -0.02 -0.00 -0.00 -0.00 0.29 -0.09 0.06 0.00 -0.00 0.00 0.09 -0.03 0.01 0.06 -0.02 0.01 -0.10 0.05 0.02 -0.00 0.08 -0.04 0.00 -0.00 -0.00 0.10 0.04 -0.03 0.04 -0.02 0.00 -0.08 0.01 -0.06 -0.01 0.00 0.00 0.03 -0.03 0.01 0.03 0.13 -0.02 0.01 0.06 -0.02 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.01 0.00 -0.04 -0.00 -0.08 -0.44 0.10 -0.20 -0.12 0.24 -0.09 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 0.01 0.31 -0.01 -0.05 -0.48 0.25 0.11 0.10 -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 0.02 -0.02 -0.02 -0.06 0.02 -0.00 -0.00 -0.01 0.00 0.01 0.03 -0.01 0.03 0.01 0.03 -0.03 -0.00 0.02 0.00 0.01 -0.01 -0.02 -0.00 -0.02 0.03 -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.03 0.01 0.03 0.00 -0.02 0.01 0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.02 0.01 -0.25 -0.47 -0.16 0.38 0.56 0.12 -0.06 -0.18 -0.02 0.07 0.21 0.02 -0.00 0.15 -0.01 -0.02 -0.14 0.04 0.04 -0.00 0.04 0.02 -0.00 0.01 -0.02 0.02 -0.00 0.05 -0.02 -0.05 0.04 -0.10 0.02 0.00 0.09 -0.06 0.21 -0.06 0.01 0.02 -0.01 0.00 0.06 0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.02 0.03 0.03 0.02 0.01 -0.02 0.03 0.05 0.01 -0.00 0.00 -0.03 0.03 -0.00 0.00 -0.02 -0.02 0.01 0.02 -0.01 0.03 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.03 0.11 0.28 0.01 -0.00 -0.00 0.07 0.02 0.11 -0.06 -0.05 -0.17 -0.01 -0.03 -0.08 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 0.01 -0.09 -0.07 -0.27 0.07 -0.06 -0.07 -0.04 0.07 0.12 0.00 -0.01 0.01 -0.06 -0.10 -0.03 0.06 0.09 0.01 -0.01 -0.03 -0.01 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.02 0.00 -0.56 0.01 -0.53 0.20 -0.06 0.06 -0.01 0.00 -0.01 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 0.01 -0.00 0.12 -0.05 0.01 0.10 -0.08 -0.09 0.05 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 0.02 0.03 0.03 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 -0.02 0.00 -0.01 0.02 -0.00 -0.01 0.03 -0.02 -0.03 0.01 -0.00 0.01 0.05 -0.01 -0.05 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.06 0.01 0.06 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.10 0.18 0.08 -0.16 -0.20 -0.05 -0.12 -0.43 0.04 0.07 0.45 0.02 0.08 0.39 0.02 -0.10 -0.36 0.02 -0.01 0.00 -0.01 -0.02 0.00 -0.01 0.02 -0.03 0.01 0.11 -0.02 -0.11 0.07 -0.20 0.05 0.00 0.18 -0.12 -0.16 0.05 -0.00 -0.02 0.01 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.02 -0.03 0.02 0.02 -0.00 0.00 -0.02 0.05 -0.02 0.02 -0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.03 0.01 -0.01 0.00 -0.00 -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.03 -0.05 0.02 -0.01 0.00 0.00 -0.04 -0.03 0.02 0.01 -0.00 0.01 0.00 0.00 0.01 0.01 -0.01 -0.02 0.03 0.05 -0.03 0.04 0.11 0.04 -0.09 -0.18 -0.02 -0.00 -0.02 0.01 -0.01 0.03 -0.01 0.03 0.06 0.01 -0.02 -0.05 -0.01 -0.04 0.01 -0.02 0.14 -0.02 0.08 -0.20 0.26 -0.08 0.01 -0.00 -0.01 0.01 -0.02 0.01 0.00 0.02 -0.01 0.73 -0.20 -0.00 0.00 0.00 0.01 -0.41 -0.13 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 -0.00 -0.03 -0.03 0.02 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.03 -0.00 0.00 0.00 -0.12 0.05 0.00 0.04 -0.01 0.03 0.02 -0.01 0.01 -0.01 0.04 -0.02 0.00 0.00 -0.00 0.04 0.02 -0.02 0.05 -0.01 0.04 -0.00 0.00 0.00 0.03 -0.05 -0.10 0.00 -0.02 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.40 0.05 -0.27 0.63 -0.09 0.42 0.04 -0.03 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.14 0.07 -0.02 -0.25 0.16 0.12 0.12 0.02 -0.03 -0.00 0.00 0.00 -0.02 0.02 -0.04 -0.03 -0.02 -0.02 0.02 -0.03 -0.05 -0.00 -0.01 -0.01 0.08 0.06 -0.04 -0.05 0.01 -0.01 0.00 -0.01 0.00 -0.02 -0.02 0.02 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.05 0.07 0.21 -0.00 -0.01 -0.01 0.05 -0.16 -0.32 -0.15 0.04 -0.05 -0.22 0.03 -0.15 0.01 -0.06 0.03 0.01 -0.00 -0.00 -0.06 -0.02 0.02 0.10 0.08 0.33 0.15 -0.11 -0.10 0.09 0.05 0.21 -0.01 0.03 -0.02 -0.01 -0.03 0.02 0.09 0.17 0.01 -0.01 0.01 -0.01 0.04 0.07 0.02 -0.02 -0.02 -0.01 0.05 0.09 0.03 -0.00 0.02 0.06 0.43 -0.06 0.29 -0.04 0.00 0.01 -0.01 0.02 -0.00 -0.01 0.02 -0.00 -0.00 -0.02 -0.00 0.00 -0.04 0.02 -0.27 0.17 0.09 -0.13 -0.01 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.20 0.27 -0.16 -0.14 0.07 -0.03 0.03 0.04 -0.02 -0.00 -0.15 0.09 0.01 -0.01 -0.01 -0.02 -0.01 -0.00 0.14 -0.07 -0.02 -0.01 -0.02 -0.02 0.00 0.02 0.06 0.09 -0.02 0.06 0.01 0.02 0.07 0.02 -0.14 0.06 0.01 -0.00 0.00 -0.18 -0.15 0.10 0.00 -0.02 -0.04 -0.06 0.02 -0.01 -0.03 -0.04 -0.11 -0.07 0.04 -0.01 0.13 0.27 0.03 0.11 0.30 -0.00 -0.01 0.03 -0.02 0.09 0.19 0.04 -0.03 0.00 -0.02 0.10 0.18 0.06 -0.27 0.03 -0.20 -0.01 0.03 0.07 0.05 -0.18 0.07 -0.01 0.05 -0.01 -0.03 0.02 -0.01 -0.00 -0.03 -0.01 0.07 -0.22 0.12 -0.29 0.16 0.09 0.00 0.08 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 -0.00 -0.02 0.01 0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.02 -0.01 0.00 -0.00 -0.00 -0.04 0.00 0.03 -0.00 0.00 -0.00 0.03 -0.01 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 -0.01 -0.02 0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 0.01 -0.03 -0.03 -0.00 -0.21 -0.37 -0.14 0.25 0.40 0.14 -0.27 -0.37 -0.17 0.26 0.42 0.20 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.03 0.04 -0.01 -0.02 0.01 0.01 -0.02 0.09 -0.02 -0.00 -0.09 0.03 -0.00 0.02 -0.01 0.01 -0.01 -0.00 -0.05 -0.02 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.01 -0.03 0.01 0.00 -0.01 0.00 -0.01 -0.04 0.02 -0.04 0.05 -0.01 -0.00 -0.03 0.01 -0.03 -0.03 -0.03 0.01 0.00 0.00 -0.07 -0.10 -0.04 0.01 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.01 -0.03 0.01 0.04 -0.00 0.04 0.01 0.04 -0.02 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 0.03 -0.02 0.02 0.01 0.03 0.10 0.17 0.03 0.15 0.38 0.09 0.12 0.26 0.03 0.21 0.48 0.12 0.18 0.41 0.07 -0.03 0.00 -0.03 -0.02 0.00 -0.01 -0.09 0.10 -0.03 -0.02 0.22 -0.07 -0.12 0.01 -0.01 -0.00 -0.01 -0.12 -0.12 0.07 -0.03 -0.02 0.01 0.00 -0.18 -0.06 0.06 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 -0.06 0.01 0.00 0.03 0.01 -0.00 0.01 0.10 -0.05 0.10 -0.09 0.02 -0.02 0.03 -0.02 -0.03 -0.01 -0.02 -0.05 0.01 -0.01 -0.03 -0.07 -0.02 -0.02 0.00 -0.01 -0.03 0.01 -0.02 0.01 -0.01 -0.02 -0.02 0.10 -0.04 0.02 -0.00 0.02 0.02 -0.08 0.03 0.01 0.00 0.02 0.01 -0.00 0.01 0.01 0.00 0.02 -0.08 -0.09 0.06 0.11 0.32 0.01 -0.05 -0.20 -0.01 0.03 0.13 0.02 0.09 0.20 0.03 0.09 0.24 0.05 0.14 0.29 0.07 0.12 -0.02 0.09 0.05 -0.02 0.01 0.23 -0.21 0.06 -0.01 0.12 -0.04 -0.07 0.03 -0.00 0.00 -0.00 -0.07 0.25 -0.14 0.04 0.11 -0.06 -0.03 0.46 0.13 -0.14 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.02 -0.01 0.01 0.04 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.03 -0.11 0.01 -0.03 -0.06 -0.01 -0.02 0.01 0.00 0.03 0.08 0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.01 -0.00 -0.00 0.28 0.56 0.07 0.20 0.39 0.05 0.12 0.32 0.04 0.11 0.31 0.05 -0.08 -0.24 -0.06 -0.12 -0.23 -0.03 0.02 -0.01 0.01 0.02 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.06 0.02 0.06 -0.02 0.01 0.00 -0.01 0.07 0.01 0.01 -0.01 0.03 -0.02 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.03 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 -0.01 -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 -0.02 -0.04 -0.00 -0.01 -0.03 -0.00 0.01 0.00 0.04 0.04 -0.00 0.01 -0.04 -0.08 -0.03 -0.05 -0.08 -0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.15 0.46 -0.27 0.00 0.55 0.13 0.26 0.49 -0.11 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.00 0.00 0.20 -0.16 0.05 -0.03 -0.03 0.03 -0.07 0.13 -0.05 -0.12 0.16 -0.06 0.01 -0.02 0.01 -0.02 -0.04 -0.01 -0.04 0.01 -0.04 0.01 0.03 0.00 0.19 -0.07 0.03 -0.03 0.03 0.05 -0.07 0.06 0.07 0.03 0.08 -0.04 -0.00 0.00 -0.01 0.03 -0.10 0.04 -0.06 0.01 -0.04 0.12 -0.05 -0.01 -0.07 -0.02 -0.13 -0.13 -0.03 0.03 -0.09 -0.25 0.05 0.00 0.01 0.01 0.08 0.17 0.08 0.11 0.16 0.04 -0.01 -0.08 -0.02 -0.04 -0.08 0.00 -0.14 0.06 -0.02 -0.02 0.06 0.12 0.19 -0.10 0.02 0.00 -0.03 0.01 0.03 -0.04 -0.00 -0.01 -0.03 0.03 0.22 -0.15 0.05 -0.44 0.30 0.25 0.14 0.10 -0.07 0.00 0.00 0.01 0.00 -0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.15 0.10 -0.03 0.05 0.01 0.02 0.05 -0.09 0.03 0.12 -0.10 0.03 -0.02 0.01 -0.01 0.02 0.03 0.01 -0.09 -0.01 -0.08 -0.00 -0.02 -0.00 0.21 -0.05 0.09 -0.15 0.07 -0.00 -0.11 0.06 0.04 -0.03 -0.04 0.02 0.00 -0.00 0.00 -0.02 0.07 -0.03 -0.07 0.01 -0.05 0.19 -0.06 0.05 -0.06 -0.05 -0.17 0.10 0.01 -0.02 0.08 0.24 0.01 0.05 -0.04 0.01 -0.05 -0.10 -0.06 -0.07 -0.09 -0.02 0.01 0.05 0.01 0.02 0.05 -0.01 0.15 0.03 0.24 0.23 0.03 0.29 -0.11 0.04 -0.00 0.00 0.01 -0.00 -0.01 0.01 -0.00 0.00 0.01 -0.02 -0.11 0.10 -0.04 -0.37 0.30 0.32 -0.08 -0.08 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 0.02 -0.02 0.03 -0.03 0.03 -0.01 -0.02 0.00 0.00 0.01 -0.02 0.01 0.03 -0.04 0.00 0.02 0.12 -0.02 -0.07 -0.10 -0.05 0.01 -0.01 -0.00 0.02 0.07 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.20 -0.39 0.09 -0.03 -0.39 0.01 0.18 0.43 0.20 0.29 0.39 0.09 0.01 -0.17 -0.03 -0.07 -0.16 0.04 0.02 -0.00 0.01 0.01 -0.00 0.01 -0.02 0.01 -0.00 0.00 -0.05 0.02 0.08 -0.08 0.00 -0.02 -0.05 0.10 -0.06 0.03 -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 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.01 0.00 0.01 -0.00 0.00 0.00 -0.02 0.03 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.00 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.13 0.11 -0.05 0.04 -0.02 0.01 -0.14 -0.13 0.05 -0.03 0.43 -0.25 0.06 -0.01 -0.14 0.47 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.01 0.00 0.05 -0.20 0.12 -0.41 0.14 -0.08 -0.03 0.07 -0.42 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.02 -0.01 0.00 0.00 -0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.03 0.02 -0.05 0.03 -0.00 0.03 -0.02 0.01 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.02 0.02 -0.00 0.02 0.02 -0.00 0.01 -0.03 0.02 -0.00 -0.02 -0.00 -0.01 -0.03 0.03 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 0.01 0.00 0.02 -0.01 0.00 -0.02 -0.02 0.54 0.48 -0.20 0.15 -0.02 0.03 -0.33 -0.31 0.11 -0.05 -0.00 0.03 0.00 0.01 0.04 -0.01 -0.07 0.01 -0.05 -0.06 0.01 -0.04 0.03 -0.07 0.03 0.02 0.12 -0.14 0.27 -0.02 0.07 -0.00 -0.06 0.21 0.07 0.00 -0.02 -0.04 0.02 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.01 0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 -0.05 0.02 -0.02 0.01 0.02 0.04 0.02 -0.03 0.00 0.01 -0.05 0.01 -0.01 0.04 -0.01 0.01 -0.00 0.01 0.01 -0.00 0.01 -0.00 0.01 -0.00 0.50 -0.13 -0.46 0.27 0.36 0.16 -0.25 -0.36 -0.27 -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 -0.04 0.02 -0.00 -0.02 0.00 0.01 -0.08 0.06 -0.01 -0.02 0.03 -0.01 -0.01 0.00 -0.02 0.02 -0.00 0.02 0.10 -0.04 -0.02 -0.01 -0.00 -0.01 -0.01 0.04 0.09 -0.09 0.01 -0.07 -0.07 0.00 -0.06 0.15 -0.08 0.01 -0.00 -0.00 -0.00 0.15 -0.12 0.03 0.01 -0.01 -0.02 -0.01 0.03 0.06 0.06 -0.03 -0.01 -0.10 0.05 -0.01 -0.01 -0.03 0.30 0.27 -0.10 0.08 -0.01 0.02 -0.17 -0.16 0.06 -0.03 0.03 -0.00 0.00 0.00 0.00 0.03 0.32 -0.04 0.20 0.28 -0.04 0.18 -0.12 0.30 -0.13 -0.02 0.05 -0.02 0.06 -0.02 0.01 0.01 0.00 0.07 -0.39 0.00 0.06 0.20 -0.10 -0.03 -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 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.01 0.03 0.01 0.00 0.01 -0.00 0.00 0.00 -0.05 0.01 -0.05 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.02 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.29 -0.26 0.10 -0.08 0.00 0.04 -0.14 -0.13 0.07 -0.02 0.41 -0.15 0.06 0.01 -0.05 0.44 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.07 0.21 -0.13 0.38 -0.12 0.07 0.04 -0.04 0.40 -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 -0.01 0.00 -0.12 0.06 -0.01 0.02 -0.02 0.00 -0.07 0.04 -0.01 0.09 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.14 0.06 0.02 0.01 -0.00 0.01 0.01 -0.05 -0.11 0.11 -0.01 0.09 0.10 -0.01 0.08 0.13 -0.08 0.02 0.00 0.00 0.00 0.14 -0.09 0.02 -0.00 0.02 0.04 0.04 -0.05 -0.08 -0.09 0.04 0.01 -0.06 0.04 -0.01 0.02 0.06 -0.00 0.01 -0.05 0.01 0.00 0.02 -0.04 -0.03 0.03 -0.01 -0.04 0.01 -0.01 -0.00 0.00 -0.04 -0.41 0.06 -0.25 -0.37 0.05 -0.25 -0.13 0.27 -0.11 0.01 -0.03 0.01 -0.04 0.01 -0.01 -0.00 0.01 -0.05 -0.38 0.03 0.05 -0.28 0.14 0.05 -0.08 0.06 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 -0.02 -0.03 0.05 -0.04 -0.00 0.00 -0.00 -0.02 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.07 0.28 0.27 -0.03 0.08 -0.04 -0.24 0.53 0.46 -0.36 0.06 0.21 -0.06 0.03 0.02 -0.01 0.22 -0.02 0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.02 0.06 -0.04 0.12 -0.05 0.02 0.01 -0.03 0.13 -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 0.05 0.05 -0.03 -0.05 -0.01 0.01 -0.18 0.15 -0.04 0.03 -0.00 -0.00 0.00 0.01 -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 -0.29 0.07 0.02 -0.00 -0.00 -0.00 0.19 -0.17 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.34 -0.04 -0.04 -0.00 -0.02 0.03 0.02 -0.03 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 0.01 -0.00 0.00 0.01 -0.00 0.01 -0.03 -0.35 0.17 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.35 -0.07 0.08 0.01 -0.00 -0.00 -0.39 -0.39 0.25 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.02 0.00 -0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 0.06 -0.16 -0.33 -0.00 0.00 -0.00 -0.16 0.16 0.24 -0.02 0.09 0.18 -0.01 -0.07 -0.18 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.02 -0.02 -0.04 0.23 -0.20 -0.23 -0.06 0.17 0.34 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.03 0.01 -0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.21 0.12 0.07 0.17 -0.10 -0.08 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.00 0.00 -0.46 0.23 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 0.03 -0.01 0.00 -0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.04 0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.19 -0.02 0.12 -0.00 0.00 -0.00 -0.26 0.07 -0.08 -0.29 0.06 -0.16 0.30 -0.05 0.19 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.05 -0.01 0.02 0.23 -0.09 0.02 -0.15 0.01 -0.12 0.00 -0.00 0.00 0.01 0.00 0.01 0.01 0.03 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.31 -0.01 0.26 -0.41 0.05 -0.30 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 -0.00 -0.16 0.16 0.21 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.03 -0.05 0.03 -0.53 -0.18 0.11 0.03 -0.04 0.01 0.58 0.35 -0.19 -0.05 -0.07 0.03 0.00 0.00 0.00 0.11 -0.05 0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 0.03 -0.02 0.00 -0.00 0.00 -0.07 0.05 -0.01 0.01 0.01 0.01 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.13 0.30 -0.05 0.03 -0.07 0.04 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.02 0.01 0.00 0.02 0.06 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.11 0.02 -0.03 0.01 -0.01 -0.01 0.06 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.07 0.01 -0.01 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.16 -0.07 -0.02 -0.27 0.06 0.82 -0.25 0.10 0.05 0.09 0.02 -0.35 -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 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.03 -0.02 0.02 -0.05 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.06 -0.02 -0.01 -0.13 0.04 0.42 0.43 -0.17 -0.09 -0.19 -0.07 0.73 0.01 0.01 -0.04 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.01 0.00 -0.02 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.07 0.02 0.05 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.04 -0.01 0.00 -0.01 -0.00 0.03 0.77 -0.30 -0.11 0.11 0.05 -0.51 -0.02 -0.02 0.08 -0.11 0.06 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.05 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 -0.01 -0.00 -0.00 -0.00 0.02 0.02 0.01 -0.06 -0.05 0.03 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.29 -0.19 -0.26 -0.17 -0.09 0.61 0.56 -0.26 -0.10 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 0.03 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 0.05 -0.02 -0.01 -0.00 -0.00 0.01 -0.17 -0.08 0.61 0.68 -0.30 -0.12 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.10 -0.06 -0.09 -0.01 -0.01 0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 0.01 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 0.89 -0.41 -0.02 0.04 -0.00 -0.16 -0.01 -0.00 0.00 -0.01 -0.00 0.03 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 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 0.04 -0.01 -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.01 0.05 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.07 0.03 0.01 -0.02 -0.00 0.07 -0.13 -0.08 0.52 -0.39 0.18 0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.01 -0.01 0.12 0.08 -0.47 0.45 -0.21 -0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 0.05 -0.01 -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.05 -0.01 -0.05 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.08 0.03 0.01 -0.02 -0.00 0.07 -0.12 -0.08 0.50 -0.41 0.19 0.06 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.12 -0.08 0.47 -0.45 0.22 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 -0.07 -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 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.01 0.09 0.07 -0.03 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.59 0.41 0.52 -0.09 -0.05 0.27 0.28 -0.14 -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 0.03 -0.04 -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 0.02 0.01 0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.39 0.46 0.65 -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 -0.22 -0.07 -0.39 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.02 -0.03 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 -0.04 -0.01 -0.07 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.20 0.23 0.33 -0.01 0.01 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.44 0.14 0.76 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 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 -0.06 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 0.01 -0.01 -0.02 -0.44 0.50 0.74 -0.00 -0.00 0.00 -0.00 -0.00 -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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.07 0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.14 -0.09 0.07 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.03 -0.02 0.00 0.00 0.00 -0.45 0.81 -0.31 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.08 0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.10 0.06 -0.05 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.19 0.88 -0.41 -0.00 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 -0.04 0.03 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.02 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 0.77 0.47 -0.35 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.11 0.05 -0.00 -0.00 -0.00 -0.09 0.15 -0.06 17 9 9 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 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 17 9 9 9 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.96885 18.99840 18.99840 18.99840 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 345.08557 0.99935 0.03611 -5.5E-4 -0.03612 0.9993 -0.01018 1.9E-4 0.01019 0.99995 asymmetric 1 0.01415 0.00690 0.00591 0.29491 0.14386 0.12312 748062.1 20.51 31.95 53.86 62.43 64.03 73.00 74.65 123.18 149.20 177.51 190.19 208.32 228.77 241.97 272.08 330.27 348.38 380.48 402.75 420.41 499.37 509.50 519.08 545.58 607.78 657.94 686.52 721.68 728.67 789.91 853.31 881.86 887.71 946.04 947.62 960.78 994.46 1035.25 1093.62 1100.13 1121.68 1134.13 1185.15 1225.02 1243.22 1284.11 1309.44 1312.88 1315.55 1325.55 1401.91 1429.94 1450.90 1465.46 1514.96 1527.00 1547.98 1586.68 1607.86 1615.12 1622.96 1636.75 1643.23 1666.26 1684.48 1704.17 1776.22 1816.12 1821.52 1836.58 1863.14 1874.18 1901.56 1905.31 1908.58 1925.38 1930.82 2013.23 2042.34 2059.52 2075.33 2090.34 2154.04 2161.70 2162.85 2164.48 2171.53 2177.00 2194.11 2253.05 2295.63 2356.83 2493.50 4242.11 4252.95 4297.84 4345.75 4368.11 4375.67 4408.00 4443.97 4454.05 4580.67 4606.94 4631.64 4666.98 4717.90 4741.83 0.284922 0.306796 0.307740 0.229657 -1579.904390 -1579.882515 -1579.881571 -1579.959654 192.517 79.599 164.339 0.000 0.000 0.000 0.889 2.981 43.410 0.889 2.981 35.374 190.740 73.638 85.555 1 0.593 1.986 7.306 2 0.593 1.985 6.426 3 0.594 1.982 5.390 4 0.595 1.980 5.098 5 0.595 1.980 5.048 6 0.595 1.977 4.789 7 0.596 1.977 4.744 8 0.601 1.959 3.758 9 0.605 1.946 3.384 10 0.610 1.930 3.047 11 0.612 1.921 2.914 12 0.616 1.908 2.740 13 0.621 1.893 2.562 14 0.625 1.882 2.456 15 0.633 1.855 2.237 16 0.652 1.796 1.882 17 0.658 1.776 1.787 18 0.671 1.738 1.632 19 0.680 1.711 1.534 20 0.688 1.688 1.461 21 0.725 1.581 1.179 22 0.730 1.567 1.148 23 0.735 1.553 1.119 24 0.749 1.515 1.042 25 0.785 1.421 0.884 26 0.815 1.345 0.774 27 0.834 1.301 0.718 28 0.857 1.246 0.654 29 0.862 1.236 0.642 30 0.904 1.142 0.546 31 0.951 1.047 0.462 32 0.972 1.005 0.428 33 0.977 0.996 0.421 0.262933e+26 25.419846 58.531358 0.868980e+10 9.939010 22.885416 0.100000e+01 0.000000 0.000000 0.251967e+09 8.401344 19.344810 0.120086e+08 7.079492 16.301132 9 gas ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1580.1893114 2.078E-9 4.213E-6 0.2849218 0.3067961 -1579.8825154 -1579.8815712 -1579.959654 -12.3563619,6.6589592,5.6974026,5.651637,6.1612661,1.4912802 C01 [X(C15H15Cl1F3N3O1)] -0.5427974 1.5208796 -0.3017177 -0.8422121 0.2519362 0.0628054 0.3054977 -0.1601561 -0.0179059 0.1061787 -0.0285101 -0.0823878 -0.3713885 0.2132188 -0.0494734 0.1652229 -0.9031918 0.0146752 0.0211332 -0.0110262 -0.3886815 -0.7504568 -0.1864381 -0.2698181 -0.1983286 -0.4388121 0.0075297 -0.2290865 -0.013332 -0.4894946 -0.5083314 -0.0431343 0.2288343 -0.0511118 -0.3375978 0.155567 0.3302908 0.1755371 -0.8241176 -0.5850697 -0.079805 -0.2473508 -0.2736713 -0.8247108 -0.439816 -0.3910614 -0.4850588 -0.980162 -1.8431438 0.5192684 0.3396661 0.7486705 -0.4521765 -0.2480851 0.4599425 -0.2034507 -0.191818 -2.2172759 0.4278777 0.2424817 0.1747614 -0.5076117 -0.163629 0.0881043 -0.1406642 -0.3156377 -0.725149 0.1597678 0.1154538 0.5229462 -0.4860205 -0.1436025 0.2312194 -0.0880075 -0.3556054 2.5622604 -0.5199639 -0.3576574 -0.385183 0.7208645 0.3291711 -0.2522142 0.2692722 0.302111 0.3841984 0.1408556 0.2380804 0.0695591 0.1411154 -0.1167285 0.2558552 0.0810833 0.7024122 0.3435266 0.0755629 0.0010171 0.2806668 0.7839111 0.3795586 0.0870911 0.2945519 0.6067352 1.4814149 -0.2876368 -0.1772792 -0.6002734 0.2220676 0.0891411 -0.1776287 0.0359678 0.090203 0.0969309 -0.0107884 -0.0477168 -0.0107419 0.0638649 -0.0085338 -0.0411432 -0.0214842 0.0547765 -0.3485383 0.0901936 -0.1101152 0.0435433 -0.183058 0.1023561 0.0684594 0.0103712 -0.216756 -0.4452327 0.0203801 0.0355938 0.1554334 -0.1312987 -0.07949 -0.1671789 0.0266203 0.0476235 -0.194006 -0.009055 0.1163405 0.0501549 -0.0494441 -0.0840222 -0.0473803 -0.0108103 0.0203787 0.1029903 -0.1036233 -0.0659383 -0.5355892 0.1642064 0.1641077 -0.2456516 0.1118303 -0.0357027 0.0827442 -0.0150528 -0.0486257 0.0266557 0.0969752 -0.0057153 -0.037391 -0.0506165 0.0535832 1.287679 -0.3167093 -0.2641671 -0.0671363 0.0418951 0.0514633 -0.1292301 0.0778185 0.0951921 1.621872 -0.0010978 0.1384922 0.0787717 1.7118596 -0.2508001 -0.0779342 -0.2186173 1.801879 -0.0605367 0.0189323 -0.0305889 -0.0158402 -0.0607146 -0.0566431 -0.0488623 -0.075632 0.0792318 1.1232509 -0.3955772 -0.1265602 -0.475057 0.1114954 0.0966242 -0.0562139 0.0806476 -0.1234852 -0.2150786 0.0618128 0.0348781 -0.0557116 0.2472845 0.1251954 0.0034423 0.1136462 -0.0746703 -0.0725422 0.0243449 -0.0120625 0.1047127 0.0350711 0.0104063 0.082016 -0.057091 -0.0234501 -0.0263131 -0.0957862 0.024808 -0.0540682 -0.0136592 0.0923839 -0.0177704 -0.0031542 -0.1169525 -0.1511494 0.0738646 0.0592355 -0.0176352 -0.0240355 -0.0529009 0.0219264 -0.0400599 -0.0228356 0.0061047 -0.0588408 0.0260258 -0.0621566 -0.1396657 0.0169059 0.0201888 0.1137945 -0.0983895 0.031906 -0.0595918 0.0183691 -0.0291882 -0.0768054 0.0669896 0.0105028 0.0557261 -0.0099949 -0.0980142 0.0502347 0.0388073 0.0445216 0.0314623 -0.0205978 0.0672898 -0.0440479 -0.003384 0.0486594 0.0144129 0.0719257 0.0235918 0.1046259 0.0256462 0.0730027 0.0287216 0.006884 0.0652642 0.0024665 0.0404381 0.0108852 0.1255433 0.0062396 0.0405948 0.0066839 0.0713263 0.0806617 -0.0448344 -0.0069954 -0.0258335 0.1063804 -0.020575 -0.0011768 -0.0143625 0.1653693 -0.0171738 -0.0063728 -0.1239867 0.0130069 0.0337685 -0.0024307 -0.1176114 -0.0347808 -0.0845285 0.0495847 -0.0477238 0.0362843 -0.0536451 -0.097134 0.0389668 0.0524176 0.1148554 -0.0173809 -0.1110082 0.0662684 0.0961516 0.0077417 0.0207101 -0.0352359 0.0484703 -0.032439 0.0352918 0.0978733 -0.0169815 -0.0210117 0.0037452 0.0401176 -0.0137939 -0.020223 -0.0139957 0.147537 0.0477337 0.0409926 -0.0331578 0.053468 0.0906862 0.0510634 -0.0301398 0.0506619 0.044531 0.0679652 0.0466227 0.0268167 0.0276145 -0.0078127 -0.0634858 0.0197717 -0.060649 0.1303691 299.1013075|-30.8080304|186.6647722|-8.1509027|11.1995416|185.3389359 0.000003790 -0.000001210 -0.000000651 0.000000905 -0.000004731 -0.000001458 0.000001011 -0.000000232 0.000000819 -0.000000901 0.000000451 0.000002495 -0.000008697 0.000010858 0.000003006 -0.000010046 -0.000009019 0.000004555 0.000006833 0.000004308 -0.000003726 0.000009408 -0.000001969 -0.000006856 -0.000009276 -0.000002830 -0.000000722 0.000006051 0.000000925 0.000009523 0.000000459 -0.000009094 -0.000003809 0.000006936 -0.000002622 0.000003522 -0.000000037 -0.000001064 -0.000000832 -0.000008400 0.000008292 -0.000008043 -0.000004890 0.000003076 -0.000002614 0.000008997 -0.000005259 -0.000000907 -0.000003991 -0.000001100 -0.000000775 -0.000000117 0.000001270 0.000000291 0.000008795 0.000010573 0.000001493 0.000002824 0.000002982 0.000003889 0.000008460 -0.000003385 -0.000002095 -0.000012925 0.000003884 0.000003735 0.000000799 -0.000002596 0.000001162 -0.000001334 -0.000001290 0.000000844 -0.000000909 0.000001516 -0.000003353 -0.000001697 0.000001855 0.000000188 0.000000499 0.000002416 -0.000001364 -0.000000338 -0.000000267 0.000000515 0.000000860 -0.000000232 -0.000000202 0.000000596 -0.000000597 0.000000392 -0.000000320 -0.000000159 0.000001663 0.000000062 -0.000000980 0.000001074 0.000000971 -0.000000233 0.000000536 0.000000273 0.000001018 -0.000001679 -0.000001462 0.000000109 -0.000000283 -0.000001421 -0.000004226 0.000000116 -0.000000657 0.000000167 -0.000001049 -0.000001112 -0.000000606 0.000000603 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 10-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H15ClF3N3O)] 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triflumizole_E/gas/CONF319/op #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 triflumizole_E CONF319 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 35 19 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2124.7901015414 38 38 38 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 -0.0391451572 0.000000 6.111961 0.000000 6.068414 2.174519 0.000000 5.175727 2.171042 2.173871 0.000000 7.646995 4.758037 3.079973 5.200432 0.000000 8.130031 4.248115 3.933836 5.765901 2.863219 0.000000 5.952132 2.910865 3.008170 4.240802 3.465072 2.288135 0.000000 10.346645 6.117453 5.795190 7.722532 4.134440 2.229505 4.494306 0.000000 6.782324 3.616052 3.056440 4.806497 2.393459 1.400462 1.271090 3.582837 0.000000 6.698275 4.479500 3.159506 5.061305 1.409618 2.486488 2.481054 4.244518 1.517936 0.000000 7.854109 5.770140 3.791284 5.732323 1.427214 4.262392 4.662229 5.342286 3.690843 2.368864 0.000000 4.556398 2.983206 2.984767 3.675862 4.006669 3.611916 1.398352 5.836435 2.351350 2.921587 4.905097 0.000000 9.080414 6.409439 4.397194 6.309283 2.389669 5.053034 5.774240 5.704560 4.768104 3.681356 1.519226 6.137035 0.000000 4.022345 2.376092 2.370574 2.374851 4.394833 4.520311 2.454493 6.723651 3.287493 3.640910 5.111185 1.408434 6.179062 0.000000 4.019523 4.295319 4.290253 4.785692 4.867562 4.455069 2.418961 6.590379 3.235395 3.574733 5.605904 1.401332 6.989173 2.411934 0.000000 2.723261 3.459637 3.430967 2.705840 5.466891 5.852956 3.722802 8.070332 4.558626 4.685978 5.935194 2.434755 7.034363 1.394469 2.782511 0.000000 8.734165 4.315481 4.643541 6.194454 4.180326 1.395388 2.804135 2.264516 2.485671 3.819042 5.599541 4.197588 6.269397 5.072487 5.042402 6.424661 0.000000 9.652129 7.664719 5.548466 7.232659 3.762917 6.523794 7.096484 7.136628 6.138621 4.894212 2.528951 7.279318 1.531132 7.219063 8.009618 7.874132 7.776027 0.000000 9.268695 5.455372 4.825739 6.839739 2.907013 1.390911 3.611250 1.301064 2.512250 2.961692 4.139891 4.852189 4.697240 5.733211 5.602744 7.038458 2.226623 6.132737 0.000000 5.225119 1.349983 1.358751 1.351875 4.210110 4.458211 2.904281 6.485066 3.485924 3.913489 4.978079 2.523946 5.721789 1.507404 3.798311 2.507691 4.912820 6.829640 5.591792 0.000000 2.729229 4.979500 4.956450 4.962343 5.850645 5.799319 3.698142 7.955389 4.518387 4.631457 6.363274 2.431705 7.752913 2.789960 1.388992 2.415582 6.398024 8.602134 6.928392 4.297288 0.000000 1.756098 4.633514 4.600318 4.094143 6.101908 6.382623 4.196286 8.602982 5.048846 5.095476 6.504021 2.800307 7.766320 2.406924 2.401251 1.388449 6.982352 8.533190 7.547580 3.784562 1.391561 0.000000 10.053074 5.509086 5.691306 7.368979 4.752391 2.193542 4.104595 1.388823 3.552299 4.639237 6.106187 5.502662 6.569113 6.377668 6.296455 7.741313 1.360190 8.065973 2.144621 6.124077 7.670984 8.298340 0.000000 5.704135 4.323915 2.898697 4.507395 2.075374 3.381281 2.597958 5.298408 2.129712 1.095132 2.585048 2.467846 3.996207 2.980879 3.021638 3.816264 4.604598 5.013239 4.032295 3.486293 3.845897 4.176623 5.573202 0.000000 7.131952 5.479706 4.257386 6.101878 2.079027 2.830532 3.115387 4.260463 2.147650 1.102917 2.727267 3.556470 4.087114 4.482165 3.847057 5.418480 4.163158 5.165842 3.004503 4.945225 4.901740 5.588914 4.818095 1.774076 0.000000 7.017004 5.551649 3.472904 5.146056 2.073393 4.810929 4.688679 6.193469 3.957094 2.623766 1.100412 4.618210 2.167125 4.606033 5.271655 5.229376 6.119709 2.782033 4.951215 4.555952 5.822205 5.796433 6.806527 2.359116 3.119927 0.000000 8.179498 6.622766 4.737476 6.649914 2.078136 4.593857 5.105718 5.501613 4.074968 2.635791 1.101518 5.344520 2.169650 5.746138 5.814061 6.506134 5.978373 2.788886 4.301580 5.831563 6.562483 6.873614 6.395526 2.906339 2.527386 1.777924 0.000000 8.958364 5.796047 3.813877 5.630829 2.596729 5.059746 5.653805 5.814886 4.774061 3.923175 2.132836 6.011436 1.093941 5.862071 7.025765 6.742941 6.148733 2.171362 4.874939 5.165921 7.773930 7.640165 6.513327 4.171621 4.570499 2.494752 3.058551 0.000000 9.890720 6.825774 4.987191 7.022530 2.608995 4.867034 6.010100 5.090883 4.881224 3.939996 2.137034 6.588249 1.094368 6.792023 7.445347 7.770339 6.020515 2.170411 4.232324 6.314365 8.344076 8.483861 6.098158 4.507495 4.201709 3.059657 2.498932 1.757082 0.000000 4.877091 5.007204 5.017225 5.755147 5.053141 4.288527 2.623631 6.255229 3.260647 3.666793 5.852721 2.142569 7.274422 3.390413 1.083330 3.865701 4.832462 8.328599 5.338801 4.663342 2.148023 3.386011 5.986708 3.356844 3.659634 5.681516 5.900815 7.427194 7.603507 0.000000 2.860533 3.693401 3.659274 2.335975 6.041320 6.637333 4.599767 8.818644 5.383465 5.451701 6.396068 3.413215 7.344650 2.149913 3.863361 1.080853 7.185551 8.086057 7.797219 2.704782 3.394360 2.146248 8.485974 4.568036 6.261965 5.601478 7.060346 6.940469 8.155889 4.946537 0.000000 8.268505 3.781050 4.589421 5.807442 4.779941 2.156066 2.580456 3.324592 2.772014 4.262486 6.198247 3.868036 6.940398 4.677930 4.717729 5.985247 1.074925 8.438249 3.247876 4.559794 6.014427 6.546495 2.240014 4.850364 4.710800 6.564418 6.647417 6.724584 6.815411 4.587475 6.729543 0.000000 10.589274 8.258693 6.188149 7.825546 4.558960 7.192243 7.911948 7.592383 6.938882 5.799999 3.478181 8.166990 2.174496 8.045189 8.979611 8.730762 8.366331 1.092250 6.710833 7.502258 9.596174 9.474349 8.548074 5.984377 6.110723 3.782846 3.788967 2.514553 2.511772 9.312768 8.873482 9.055807 0.000000 9.969456 8.373247 6.274640 8.016238 4.106303 6.805906 7.459088 7.309958 6.440008 5.090988 2.801048 7.644700 2.183201 7.735749 8.222944 8.364026 8.113307 1.094507 6.299688 7.520247 8.813391 8.873911 8.343673 5.246145 5.129476 3.149877 2.612255 3.087201 2.534543 8.432651 8.665121 8.834942 1.764964 0.000000 9.042575 7.552770 5.384166 6.823033 4.099656 6.946822 7.175136 7.834652 6.360288 5.080058 2.799598 7.152817 2.182135 6.930411 7.845671 7.415614 8.210127 1.094385 6.751456 6.580521 8.275553 8.069007 8.653822 4.961462 5.440058 2.603638 3.157359 2.532816 3.085849 8.276105 7.527035 8.765423 1.764900 1.768337 0.000000 9.327227 5.951838 4.932513 7.049121 2.398754 2.161842 4.076190 2.123462 2.834950 2.693722 3.388310 5.136928 3.923263 5.964277 5.819103 7.190414 3.253518 5.270077 1.076162 5.861665 7.065951 7.664122 3.195592 3.781529 2.569482 4.313906 3.401430 4.296981 3.401986 5.580105 7.927233 4.226394 5.874761 5.333271 5.948502 0.000000 2.867668 6.034714 6.010305 6.014093 6.652880 6.557262 4.567661 8.635530 5.326945 5.372858 7.093080 3.412245 8.536233 3.872488 2.150784 3.394623 7.146735 9.313529 7.624656 5.379801 1.082541 2.149174 8.375589 4.616173 5.459185 6.561481 7.156853 8.648211 9.110555 2.481836 4.285721 6.778465 10.342242 9.426568 8.981328 7.730718 0.000000 10.904384 6.163001 6.574816 8.131545 5.802142 3.249596 4.994692 2.154919 4.574440 5.712590 7.148037 6.384620 7.527695 7.233264 7.160176 8.592265 2.194371 9.023288 3.165239 6.927072 8.527387 9.157672 1.078560 6.629622 5.880951 7.859266 7.443020 7.428096 7.001650 6.822015 9.316462 2.763097 9.443067 9.313767 9.640402 4.177874 9.213569 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2949063 0.1438586 0.1231211 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= 604 RedAO= T EigKep= 1.05D-06 NBF= 604 NBsUse= 603 1.00D-06 EigRej= 4.90D-07 NBFU= 603 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= 622 622 622 622 622 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.18931142718 -1580.18931143 1 1.574895289507e+03 -7.965669420751e+03 2.685833863433e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245924705 LenY= 4245530949 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. PT918S Fri Dec 10 18:36:53 2021 GINC-CIBELES2-316 PAULAPLA 10-Dec-2021 0 Wavefunction triflumizole_E CONF319 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.1893114 RMSD=5.032e-09 Dipole=-0.5427973,1.5208797,-0.3017177 Quadrupole=-12.3563602,6.6589584,5.6974018,5.6516362,6.1612656,1.4912804 PG=C01 [X(C15H15Cl1F3N3O1)] 0 -5.218534673 1.4055501768 -0.3857111791 0 -0.6615846151 -2.4332268889 0.9759288496 0 0.0984330538 -0.5610130496 1.7794970931 0 -1.8335729831 -1.3199941025 2.4252661222 0 2.3497732621 1.2399474663 0.6958725948 0 2.5499408557 -0.8163576384 -1.2864404365 0 0.2635778762 -0.7582877117 -1.2176505167 0 4.7141665743 -1.1929545231 -1.6672235232 0 1.3555489022 -0.1540170037 -0.976558306 0 1.4778738541 1.2495869426 -0.4117014918 0 2.3502882233 2.4681411589 1.4228378169 0 -0.9953421073 -0.2004292774 -0.974131637 0 3.3093153685 2.3309771706 2.5930940586 0 -1.6904678848 -0.4255616233 0.2299458781 0 -1.6432636617 0.5132611006 -1.9912717609 0 -2.9823478375 0.0686577126 0.4069665056 0 2.6510192126 -2.1205504431 -1.7722101869 0 3.3653207264 3.6044996356 3.4412508398 0 3.847649083 -0.3171760226 -1.2489814848 0 -1.0271500392 -1.1881722769 1.3482929891 0 -2.928698839 1.0098552234 -1.8170621872 0 -3.5922093659 0.7839298469 -0.6149164442 0 3.9775631054 -2.3242820419 -1.9933257972 0 0.4767324901 1.58981609 -0.1266157564 0 1.8475360006 1.924335189 -1.2019479959 0 1.332203776 2.685350278 1.7795332389 0 2.6567651628 3.2942263776 0.7617799294 0 2.9901442953 1.4793337309 3.2009919604 0 4.3027661916 2.0876806525 2.2038584182 0 -1.1234472426 0.6664171014 -2.9293216552 0 -3.5051418148 -0.1040706749 1.337071469 0 1.7774809209 -2.7343046119 -1.8975102326 0 4.0588776218 3.4852967612 4.2765832401 0 3.7012304037 4.4631192855 2.8514347051 0 2.3833635994 3.84900821 3.8579686545 0 4.066492914 0.6695653111 -0.8794242728 0 -3.4148185831 1.564628138 -2.6094066487 0 4.4578797755 -3.2156153531 -2.3649596527 Gaussian 16 10-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H15ClF3N3O)] 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triflumizole_E/gas/CONF319/op #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 triflumizole_E CONF319 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 35 19 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 627 A 604 A 604 965 627 89 89 2124.7901015414 38 38 38 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 -0.0391451572 0.000000 6.111961 0.000000 6.068414 2.174519 0.000000 5.175727 2.171042 2.173871 0.000000 7.646995 4.758037 3.079973 5.200432 0.000000 8.130031 4.248115 3.933836 5.765901 2.863219 0.000000 5.952132 2.910865 3.008170 4.240802 3.465072 2.288135 0.000000 10.346645 6.117453 5.795190 7.722532 4.134440 2.229505 4.494306 0.000000 6.782324 3.616052 3.056440 4.806497 2.393459 1.400462 1.271090 3.582837 0.000000 6.698275 4.479500 3.159506 5.061305 1.409618 2.486488 2.481054 4.244518 1.517936 0.000000 7.854109 5.770140 3.791284 5.732323 1.427214 4.262392 4.662229 5.342286 3.690843 2.368864 0.000000 4.556398 2.983206 2.984767 3.675862 4.006669 3.611916 1.398352 5.836435 2.351350 2.921587 4.905097 0.000000 9.080414 6.409439 4.397194 6.309283 2.389669 5.053034 5.774240 5.704560 4.768104 3.681356 1.519226 6.137035 0.000000 4.022345 2.376092 2.370574 2.374851 4.394833 4.520311 2.454493 6.723651 3.287493 3.640910 5.111185 1.408434 6.179062 0.000000 4.019523 4.295319 4.290253 4.785692 4.867562 4.455069 2.418961 6.590379 3.235395 3.574733 5.605904 1.401332 6.989173 2.411934 0.000000 2.723261 3.459637 3.430967 2.705840 5.466891 5.852956 3.722802 8.070332 4.558626 4.685978 5.935194 2.434755 7.034363 1.394469 2.782511 0.000000 8.734165 4.315481 4.643541 6.194454 4.180326 1.395388 2.804135 2.264516 2.485671 3.819042 5.599541 4.197588 6.269397 5.072487 5.042402 6.424661 0.000000 9.652129 7.664719 5.548466 7.232659 3.762917 6.523794 7.096484 7.136628 6.138621 4.894212 2.528951 7.279318 1.531132 7.219063 8.009618 7.874132 7.776027 0.000000 9.268695 5.455372 4.825739 6.839739 2.907013 1.390911 3.611250 1.301064 2.512250 2.961692 4.139891 4.852189 4.697240 5.733211 5.602744 7.038458 2.226623 6.132737 0.000000 5.225119 1.349983 1.358751 1.351875 4.210110 4.458211 2.904281 6.485066 3.485924 3.913489 4.978079 2.523946 5.721789 1.507404 3.798311 2.507691 4.912820 6.829640 5.591792 0.000000 2.729229 4.979500 4.956450 4.962343 5.850645 5.799319 3.698142 7.955389 4.518387 4.631457 6.363274 2.431705 7.752913 2.789960 1.388992 2.415582 6.398024 8.602134 6.928392 4.297288 0.000000 1.756098 4.633514 4.600318 4.094143 6.101908 6.382623 4.196286 8.602982 5.048846 5.095476 6.504021 2.800307 7.766320 2.406924 2.401251 1.388449 6.982352 8.533190 7.547580 3.784562 1.391561 0.000000 10.053074 5.509086 5.691306 7.368979 4.752391 2.193542 4.104595 1.388823 3.552299 4.639237 6.106187 5.502662 6.569113 6.377668 6.296455 7.741313 1.360190 8.065973 2.144621 6.124077 7.670984 8.298340 0.000000 5.704135 4.323915 2.898697 4.507395 2.075374 3.381281 2.597958 5.298408 2.129712 1.095132 2.585048 2.467846 3.996207 2.980879 3.021638 3.816264 4.604598 5.013239 4.032295 3.486293 3.845897 4.176623 5.573202 0.000000 7.131952 5.479706 4.257386 6.101878 2.079027 2.830532 3.115387 4.260463 2.147650 1.102917 2.727267 3.556470 4.087114 4.482165 3.847057 5.418480 4.163158 5.165842 3.004503 4.945225 4.901740 5.588914 4.818095 1.774076 0.000000 7.017004 5.551649 3.472904 5.146056 2.073393 4.810929 4.688679 6.193469 3.957094 2.623766 1.100412 4.618210 2.167125 4.606033 5.271655 5.229376 6.119709 2.782033 4.951215 4.555952 5.822205 5.796433 6.806527 2.359116 3.119927 0.000000 8.179498 6.622766 4.737476 6.649914 2.078136 4.593857 5.105718 5.501613 4.074968 2.635791 1.101518 5.344520 2.169650 5.746138 5.814061 6.506134 5.978373 2.788886 4.301580 5.831563 6.562483 6.873614 6.395526 2.906339 2.527386 1.777924 0.000000 8.958364 5.796047 3.813877 5.630829 2.596729 5.059746 5.653805 5.814886 4.774061 3.923175 2.132836 6.011436 1.093941 5.862071 7.025765 6.742941 6.148733 2.171362 4.874939 5.165921 7.773930 7.640165 6.513327 4.171621 4.570499 2.494752 3.058551 0.000000 9.890720 6.825774 4.987191 7.022530 2.608995 4.867034 6.010100 5.090883 4.881224 3.939996 2.137034 6.588249 1.094368 6.792023 7.445347 7.770339 6.020515 2.170411 4.232324 6.314365 8.344076 8.483861 6.098158 4.507495 4.201709 3.059657 2.498932 1.757082 0.000000 4.877091 5.007204 5.017225 5.755147 5.053141 4.288527 2.623631 6.255229 3.260647 3.666793 5.852721 2.142569 7.274422 3.390413 1.083330 3.865701 4.832462 8.328599 5.338801 4.663342 2.148023 3.386011 5.986708 3.356844 3.659634 5.681516 5.900815 7.427194 7.603507 0.000000 2.860533 3.693401 3.659274 2.335975 6.041320 6.637333 4.599767 8.818644 5.383465 5.451701 6.396068 3.413215 7.344650 2.149913 3.863361 1.080853 7.185551 8.086057 7.797219 2.704782 3.394360 2.146248 8.485974 4.568036 6.261965 5.601478 7.060346 6.940469 8.155889 4.946537 0.000000 8.268505 3.781050 4.589421 5.807442 4.779941 2.156066 2.580456 3.324592 2.772014 4.262486 6.198247 3.868036 6.940398 4.677930 4.717729 5.985247 1.074925 8.438249 3.247876 4.559794 6.014427 6.546495 2.240014 4.850364 4.710800 6.564418 6.647417 6.724584 6.815411 4.587475 6.729543 0.000000 10.589274 8.258693 6.188149 7.825546 4.558960 7.192243 7.911948 7.592383 6.938882 5.799999 3.478181 8.166990 2.174496 8.045189 8.979611 8.730762 8.366331 1.092250 6.710833 7.502258 9.596174 9.474349 8.548074 5.984377 6.110723 3.782846 3.788967 2.514553 2.511772 9.312768 8.873482 9.055807 0.000000 9.969456 8.373247 6.274640 8.016238 4.106303 6.805906 7.459088 7.309958 6.440008 5.090988 2.801048 7.644700 2.183201 7.735749 8.222944 8.364026 8.113307 1.094507 6.299688 7.520247 8.813391 8.873911 8.343673 5.246145 5.129476 3.149877 2.612255 3.087201 2.534543 8.432651 8.665121 8.834942 1.764964 0.000000 9.042575 7.552770 5.384166 6.823033 4.099656 6.946822 7.175136 7.834652 6.360288 5.080058 2.799598 7.152817 2.182135 6.930411 7.845671 7.415614 8.210127 1.094385 6.751456 6.580521 8.275553 8.069007 8.653822 4.961462 5.440058 2.603638 3.157359 2.532816 3.085849 8.276105 7.527035 8.765423 1.764900 1.768337 0.000000 9.327227 5.951838 4.932513 7.049121 2.398754 2.161842 4.076190 2.123462 2.834950 2.693722 3.388310 5.136928 3.923263 5.964277 5.819103 7.190414 3.253518 5.270077 1.076162 5.861665 7.065951 7.664122 3.195592 3.781529 2.569482 4.313906 3.401430 4.296981 3.401986 5.580105 7.927233 4.226394 5.874761 5.333271 5.948502 0.000000 2.867668 6.034714 6.010305 6.014093 6.652880 6.557262 4.567661 8.635530 5.326945 5.372858 7.093080 3.412245 8.536233 3.872488 2.150784 3.394623 7.146735 9.313529 7.624656 5.379801 1.082541 2.149174 8.375589 4.616173 5.459185 6.561481 7.156853 8.648211 9.110555 2.481836 4.285721 6.778465 10.342242 9.426568 8.981328 7.730718 0.000000 10.904384 6.163001 6.574816 8.131545 5.802142 3.249596 4.994692 2.154919 4.574440 5.712590 7.148037 6.384620 7.527695 7.233264 7.160176 8.592265 2.194371 9.023288 3.165239 6.927072 8.527387 9.157672 1.078560 6.629622 5.880951 7.859266 7.443020 7.428096 7.001650 6.822015 9.316462 2.763097 9.443067 9.313767 9.640402 4.177874 9.213569 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2949063 0.1438586 0.1231211 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= 604 RedAO= T EigKep= 1.05D-06 NBF= 604 NBsUse= 603 1.00D-06 EigRej= 4.90D-07 NBFU= 603 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= 622 622 622 622 622 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.18931142718 -1580.18931142717 0.000000000007 -1580.18931143 2 1.574895289524e+03 -7.965669421001e+03 2.685833863665e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4245924705 LenY= 4245530949 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. 1 Singlet-A 4.1157 301.25 0.0052 0.000 88 90 0.66019 88 91 0.20421 -1580.03806229 2 Singlet-A 4.3057 287.95 0.0497 0.000 89 90 0.68343 89 91 0.13936 3 Singlet-A 4.6043 269.28 0.0453 0.000 84 92 -0.19954 88 90 -0.18563 88 91 0.62301 88 92 0.11942 4 Singlet-A 4.7322 262.00 0.0088 0.000 89 90 -0.14331 89 91 0.67984 5 Singlet-A 5.0132 247.32 0.0037 0.000 86 90 -0.29673 86 91 -0.14783 87 90 0.54902 87 91 0.25826 6 Singlet-A 5.0359 246.20 0.0003 0.000 89 92 0.70160 7 Singlet-A 5.1456 240.95 0.5184 0.000 84 90 -0.14864 86 90 0.27684 87 90 0.13129 88 91 -0.11188 88 92 0.59178 8 Singlet-A 5.2500 236.16 0.0032 0.000 85 90 0.65647 85 91 0.21906 9 Singlet-A 5.3870 230.15 0.0232 0.000 84 90 0.14162 86 90 0.49735 86 91 -0.17707 87 90 0.30800 87 91 -0.15969 88 92 -0.22709 10 Singlet-A 5.6301 220.22 0.1717 0.000 84 90 0.25720 86 90 0.16264 86 91 0.36677 86 92 -0.10423 87 91 0.45554 PT35831.900S Fri Dec 10 19:06:46 2021 GINC-CIBELES2-316 PAULAPLA 10-Dec-2021 0 Electronic spectrum triflumizole_E CONF319 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.1893114 RMSD=3.257e-10 PG=C01 [X(C15H15Cl1F3N3O1)] 0 -5.218534673 1.4055501768 -0.3857111791 0 -0.6615846151 -2.4332268889 0.9759288496 0 0.0984330538 -0.5610130496 1.7794970931 0 -1.8335729831 -1.3199941025 2.4252661222 0 2.3497732621 1.2399474663 0.6958725948 0 2.5499408557 -0.8163576384 -1.2864404365 0 0.2635778762 -0.7582877117 -1.2176505167 0 4.7141665743 -1.1929545231 -1.6672235232 0 1.3555489022 -0.1540170037 -0.976558306 0 1.4778738541 1.2495869426 -0.4117014918 0 2.3502882233 2.4681411589 1.4228378169 0 -0.9953421073 -0.2004292774 -0.974131637 0 3.3093153685 2.3309771706 2.5930940586 0 -1.6904678848 -0.4255616233 0.2299458781 0 -1.6432636617 0.5132611006 -1.9912717609 0 -2.9823478375 0.0686577126 0.4069665056 0 2.6510192126 -2.1205504431 -1.7722101869 0 3.3653207264 3.6044996356 3.4412508398 0 3.847649083 -0.3171760226 -1.2489814848 0 -1.0271500392 -1.1881722769 1.3482929891 0 -2.928698839 1.0098552234 -1.8170621872 0 -3.5922093659 0.7839298469 -0.6149164442 0 3.9775631054 -2.3242820419 -1.9933257972 0 0.4767324901 1.58981609 -0.1266157564 0 1.8475360006 1.924335189 -1.2019479959 0 1.332203776 2.685350278 1.7795332389 0 2.6567651628 3.2942263776 0.7617799294 0 2.9901442953 1.4793337309 3.2009919604 0 4.3027661916 2.0876806525 2.2038584182 0 -1.1234472426 0.6664171014 -2.9293216552 0 -3.5051418148 -0.1040706749 1.337071469 0 1.7774809209 -2.7343046119 -1.8975102326 0 4.0588776218 3.4852967612 4.2765832401 0 3.7012304037 4.4631192855 2.8514347051 0 2.3833635994 3.84900821 3.8579686545 0 4.066492914 0.6695653111 -0.8794242728 0 -3.4148185831 1.564628138 -2.6094066487 0 4.4578797755 -3.2156153531 -2.3649596527 Gaussian 16 10-Dec-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 108 C1[X(C15H15ClF3N3O)] 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/triflumizole_E/gas/CONF319/op #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 triflumizole_E CONF319 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 35 19 19 19 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 34.9688527 18.9984033 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 1 1 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 6.7500000 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1178 A 1040 A 1040 1516 1178 89 89 2124.7901015414 38 38 38 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 -0.0391451572 0.000000 6.111961 0.000000 6.068414 2.174519 0.000000 5.175727 2.171042 2.173871 0.000000 7.646995 4.758037 3.079973 5.200432 0.000000 8.130031 4.248115 3.933836 5.765901 2.863219 0.000000 5.952132 2.910865 3.008170 4.240802 3.465072 2.288135 0.000000 10.346645 6.117453 5.795190 7.722532 4.134440 2.229505 4.494306 0.000000 6.782324 3.616052 3.056440 4.806497 2.393459 1.400462 1.271090 3.582837 0.000000 6.698275 4.479500 3.159506 5.061305 1.409618 2.486488 2.481054 4.244518 1.517936 0.000000 7.854109 5.770140 3.791284 5.732323 1.427214 4.262392 4.662229 5.342286 3.690843 2.368864 0.000000 4.556398 2.983206 2.984767 3.675862 4.006669 3.611916 1.398352 5.836435 2.351350 2.921587 4.905097 0.000000 9.080414 6.409439 4.397194 6.309283 2.389669 5.053034 5.774240 5.704560 4.768104 3.681356 1.519226 6.137035 0.000000 4.022345 2.376092 2.370574 2.374851 4.394833 4.520311 2.454493 6.723651 3.287493 3.640910 5.111185 1.408434 6.179062 0.000000 4.019523 4.295319 4.290253 4.785692 4.867562 4.455069 2.418961 6.590379 3.235395 3.574733 5.605904 1.401332 6.989173 2.411934 0.000000 2.723261 3.459637 3.430967 2.705840 5.466891 5.852956 3.722802 8.070332 4.558626 4.685978 5.935194 2.434755 7.034363 1.394469 2.782511 0.000000 8.734165 4.315481 4.643541 6.194454 4.180326 1.395388 2.804135 2.264516 2.485671 3.819042 5.599541 4.197588 6.269397 5.072487 5.042402 6.424661 0.000000 9.652129 7.664719 5.548466 7.232659 3.762917 6.523794 7.096484 7.136628 6.138621 4.894212 2.528951 7.279318 1.531132 7.219063 8.009618 7.874132 7.776027 0.000000 9.268695 5.455372 4.825739 6.839739 2.907013 1.390911 3.611250 1.301064 2.512250 2.961692 4.139891 4.852189 4.697240 5.733211 5.602744 7.038458 2.226623 6.132737 0.000000 5.225119 1.349983 1.358751 1.351875 4.210110 4.458211 2.904281 6.485066 3.485924 3.913489 4.978079 2.523946 5.721789 1.507404 3.798311 2.507691 4.912820 6.829640 5.591792 0.000000 2.729229 4.979500 4.956450 4.962343 5.850645 5.799319 3.698142 7.955389 4.518387 4.631457 6.363274 2.431705 7.752913 2.789960 1.388992 2.415582 6.398024 8.602134 6.928392 4.297288 0.000000 1.756098 4.633514 4.600318 4.094143 6.101908 6.382623 4.196286 8.602982 5.048846 5.095476 6.504021 2.800307 7.766320 2.406924 2.401251 1.388449 6.982352 8.533190 7.547580 3.784562 1.391561 0.000000 10.053074 5.509086 5.691306 7.368979 4.752391 2.193542 4.104595 1.388823 3.552299 4.639237 6.106187 5.502662 6.569113 6.377668 6.296455 7.741313 1.360190 8.065973 2.144621 6.124077 7.670984 8.298340 0.000000 5.704135 4.323915 2.898697 4.507395 2.075374 3.381281 2.597958 5.298408 2.129712 1.095132 2.585048 2.467846 3.996207 2.980879 3.021638 3.816264 4.604598 5.013239 4.032295 3.486293 3.845897 4.176623 5.573202 0.000000 7.131952 5.479706 4.257386 6.101878 2.079027 2.830532 3.115387 4.260463 2.147650 1.102917 2.727267 3.556470 4.087114 4.482165 3.847057 5.418480 4.163158 5.165842 3.004503 4.945225 4.901740 5.588914 4.818095 1.774076 0.000000 7.017004 5.551649 3.472904 5.146056 2.073393 4.810929 4.688679 6.193469 3.957094 2.623766 1.100412 4.618210 2.167125 4.606033 5.271655 5.229376 6.119709 2.782033 4.951215 4.555952 5.822205 5.796433 6.806527 2.359116 3.119927 0.000000 8.179498 6.622766 4.737476 6.649914 2.078136 4.593857 5.105718 5.501613 4.074968 2.635791 1.101518 5.344520 2.169650 5.746138 5.814061 6.506134 5.978373 2.788886 4.301580 5.831563 6.562483 6.873614 6.395526 2.906339 2.527386 1.777924 0.000000 8.958364 5.796047 3.813877 5.630829 2.596729 5.059746 5.653805 5.814886 4.774061 3.923175 2.132836 6.011436 1.093941 5.862071 7.025765 6.742941 6.148733 2.171362 4.874939 5.165921 7.773930 7.640165 6.513327 4.171621 4.570499 2.494752 3.058551 0.000000 9.890720 6.825774 4.987191 7.022530 2.608995 4.867034 6.010100 5.090883 4.881224 3.939996 2.137034 6.588249 1.094368 6.792023 7.445347 7.770339 6.020515 2.170411 4.232324 6.314365 8.344076 8.483861 6.098158 4.507495 4.201709 3.059657 2.498932 1.757082 0.000000 4.877091 5.007204 5.017225 5.755147 5.053141 4.288527 2.623631 6.255229 3.260647 3.666793 5.852721 2.142569 7.274422 3.390413 1.083330 3.865701 4.832462 8.328599 5.338801 4.663342 2.148023 3.386011 5.986708 3.356844 3.659634 5.681516 5.900815 7.427194 7.603507 0.000000 2.860533 3.693401 3.659274 2.335975 6.041320 6.637333 4.599767 8.818644 5.383465 5.451701 6.396068 3.413215 7.344650 2.149913 3.863361 1.080853 7.185551 8.086057 7.797219 2.704782 3.394360 2.146248 8.485974 4.568036 6.261965 5.601478 7.060346 6.940469 8.155889 4.946537 0.000000 8.268505 3.781050 4.589421 5.807442 4.779941 2.156066 2.580456 3.324592 2.772014 4.262486 6.198247 3.868036 6.940398 4.677930 4.717729 5.985247 1.074925 8.438249 3.247876 4.559794 6.014427 6.546495 2.240014 4.850364 4.710800 6.564418 6.647417 6.724584 6.815411 4.587475 6.729543 0.000000 10.589274 8.258693 6.188149 7.825546 4.558960 7.192243 7.911948 7.592383 6.938882 5.799999 3.478181 8.166990 2.174496 8.045189 8.979611 8.730762 8.366331 1.092250 6.710833 7.502258 9.596174 9.474349 8.548074 5.984377 6.110723 3.782846 3.788967 2.514553 2.511772 9.312768 8.873482 9.055807 0.000000 9.969456 8.373247 6.274640 8.016238 4.106303 6.805906 7.459088 7.309958 6.440008 5.090988 2.801048 7.644700 2.183201 7.735749 8.222944 8.364026 8.113307 1.094507 6.299688 7.520247 8.813391 8.873911 8.343673 5.246145 5.129476 3.149877 2.612255 3.087201 2.534543 8.432651 8.665121 8.834942 1.764964 0.000000 9.042575 7.552770 5.384166 6.823033 4.099656 6.946822 7.175136 7.834652 6.360288 5.080058 2.799598 7.152817 2.182135 6.930411 7.845671 7.415614 8.210127 1.094385 6.751456 6.580521 8.275553 8.069007 8.653822 4.961462 5.440058 2.603638 3.157359 2.532816 3.085849 8.276105 7.527035 8.765423 1.764900 1.768337 0.000000 9.327227 5.951838 4.932513 7.049121 2.398754 2.161842 4.076190 2.123462 2.834950 2.693722 3.388310 5.136928 3.923263 5.964277 5.819103 7.190414 3.253518 5.270077 1.076162 5.861665 7.065951 7.664122 3.195592 3.781529 2.569482 4.313906 3.401430 4.296981 3.401986 5.580105 7.927233 4.226394 5.874761 5.333271 5.948502 0.000000 2.867668 6.034714 6.010305 6.014093 6.652880 6.557262 4.567661 8.635530 5.326945 5.372858 7.093080 3.412245 8.536233 3.872488 2.150784 3.394623 7.146735 9.313529 7.624656 5.379801 1.082541 2.149174 8.375589 4.616173 5.459185 6.561481 7.156853 8.648211 9.110555 2.481836 4.285721 6.778465 10.342242 9.426568 8.981328 7.730718 0.000000 10.904384 6.163001 6.574816 8.131545 5.802142 3.249596 4.994692 2.154919 4.574440 5.712590 7.148037 6.384620 7.527695 7.233264 7.160176 8.592265 2.194371 9.023288 3.165239 6.927072 8.527387 9.157672 1.078560 6.629622 5.880951 7.859266 7.443020 7.428096 7.001650 6.822015 9.316462 2.763097 9.443067 9.313767 9.640402 4.177874 9.213569 0.000000 C15H15ClF3N3O 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 0 330.62820959999976 AuxInfo=1/0/N:18,13,21,15,23,17,11,16,10,19,22,14,12,9,20,1,2,3,4,8,7,6,5/E:(17,18,19)/CRV:3.3,4.3,5.3,6.3,8.3,10.3,11.3,12.3,13.3,14.3,20.2,21.2/rA:38ClFFFONN2N2C3CCC3CC3C3C3C3CC3CC3C3C3HHHHHHHHHHHHHHH/rB:;;;;;;;s6s7;s5s9;s5;s7;s11;s12;s12;s14;s6;s13;s6s8;s2s3s4s14;s15;s1s16s21;s8s17;s10;s10;s11;s11;s13;s13;s15;s16;s17;s18;s18;s18;s19;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2949063 0.1438586 0.1231211 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= 1040 RedAO= T EigKep= 1.01D-06 NBF= 1040 NBsUse= 1037 1.00D-06 EigRej= 8.59D-07 NBFU= 1037 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= 1158 1158 1158 1158 1158 MxSgAt= 38 MxSgA2= 38. 1 Closed 1 1 1 -1580.19349653611 -1580.23232612008 -0.038829583969 -1580.27115721438 -0.038831094299 -1580.27187587776 -0.000718663383 -1580.27193637726 -0.000060499497 -1580.27194294046 -0.000006563203 -1580.27194485811 -0.000001917652 -1580.27194492740 -0.000000069283 -1580.27194495355 -0.000000026152 -1580.27194495451 -0.000000000959 -1580.27194495461 -0.000000000106 -1580.27194495475 -0.000000000140 -1580.27194495469 0.000000000065 -1580.27194495 13 1.574508438501e+03 -7.965844086566e+03 2.686312746726e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4246732800 LenX= 4243918545 LenY= 4242529683 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. PT37894.700S Fri Dec 10 19:38:22 2021 GINC-CIBELES2-316 PAULAPLA 10-Dec-2021 0 Single Point triflumizole_E CONF319 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1580.271945 RMSD=2.278e-09 Dipole=-0.4694101,1.4521399,-0.26294 Quadrupole=-12.1868428,6.5402685,5.6465742,5.6927429,6.0530863,1.4599897 PG=C01 [X(C15H15Cl1F3N3O1)] 0 -5.218534673 1.4055501768 -0.3857111791 0 -0.6615846151 -2.4332268889 0.9759288496 0 0.0984330538 -0.5610130496 1.7794970931 0 -1.8335729831 -1.3199941025 2.4252661222 0 2.3497732621 1.2399474663 0.6958725948 0 2.5499408557 -0.8163576384 -1.2864404365 0 0.2635778762 -0.7582877117 -1.2176505167 0 4.7141665743 -1.1929545231 -1.6672235232 0 1.3555489022 -0.1540170037 -0.976558306 0 1.4778738541 1.2495869426 -0.4117014918 0 2.3502882233 2.4681411589 1.4228378169 0 -0.9953421073 -0.2004292774 -0.974131637 0 3.3093153685 2.3309771706 2.5930940586 0 -1.6904678848 -0.4255616233 0.2299458781 0 -1.6432636617 0.5132611006 -1.9912717609 0 -2.9823478375 0.0686577126 0.4069665056 0 2.6510192126 -2.1205504431 -1.7722101869 0 3.3653207264 3.6044996356 3.4412508398 0 3.847649083 -0.3171760226 -1.2489814848 0 -1.0271500392 -1.1881722769 1.3482929891 0 -2.928698839 1.0098552234 -1.8170621872 0 -3.5922093659 0.7839298469 -0.6149164442 0 3.9775631054 -2.3242820419 -1.9933257972 0 0.4767324901 1.58981609 -0.1266157564 0 1.8475360006 1.924335189 -1.2019479959 0 1.332203776 2.685350278 1.7795332389 0 2.6567651628 3.2942263776 0.7617799294 0 2.9901442953 1.4793337309 3.2009919604 0 4.3027661916 2.0876806525 2.2038584182 0 -1.1234472426 0.6664171014 -2.9293216552 0 -3.5051418148 -0.1040706749 1.337071469 0 1.7774809209 -2.7343046119 -1.8975102326 0 4.0588776218 3.4852967612 4.2765832401 0 3.7012304037 4.4631192855 2.8514347051 0 2.3833635994 3.84900821 3.8579686545 0 4.066492914 0.6695653111 -0.8794242728 0 -3.4148185831 1.564628138 -2.6094066487 0 4.4578797755 -3.2156153531 -2.3649596527