Gaussian 16 GINC-DUBNIO PAULAPLA Optimization propiconazole_RR CONF130 gas EM64L-G16RevC.01 3-Sep-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 39 39 89 89 602 (5D, 7F) 6-311+G(d,p) 111 111 C1[X(C15H17Cl2N3O2)] C1[X(C15H17Cl2N3O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 325.08539999999977 0 1 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2617241/Gau-91546.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2617241/" chk=/home/paulapla/almacen/ADAMA/censo_results/propiconazole_RR/gas/CONF130/opt #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 propiconazole_RR CONF130 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 35 35 16 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 1 1 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 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 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 2 3 3 4 4 5 5 5 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 14 15 16 16 17 17 17 18 18 19 19 20 22 15 21 8 9 8 10 6 12 20 22 20 22 12 13 10 11 23 24 25 14 26 27 28 29 15 16 17 30 31 18 19 32 33 34 35 21 36 21 37 38 39 1.7311 1.7236 1.3981 1.4214 1.391 1.409 1.3362 1.4346 1.3422 1.3092 1.3075 1.3508 1.5341 1.528 1.5264 1.52 1.0969 1.0971 1.0896 1.5247 1.0962 1.0935 1.0887 1.0896 1.3935 1.3915 1.5222 1.0908 1.0935 1.3867 1.384 1.081 1.0897 1.0912 1.0913 1.3836 1.0807 1.3835 1.0808 1.0787 1.0788 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 8 8 6 6 12 5 20 3 3 3 4 4 12 3 3 3 10 10 11 4 4 4 9 9 24 9 9 9 14 14 26 5 5 5 8 8 28 8 8 15 11 11 11 17 17 30 1 1 13 13 13 19 14 14 14 33 33 34 15 15 21 16 16 21 5 5 7 2 2 18 6 6 7 3 4 5 5 5 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 9 10 12 20 20 22 22 4 12 13 12 13 13 10 11 23 11 23 23 9 24 25 24 25 25 14 26 27 26 27 27 8 28 29 28 29 29 15 16 16 17 30 31 30 31 31 13 18 18 19 32 32 33 34 35 34 35 35 21 36 36 21 37 37 7 38 38 18 19 19 7 39 39 110.0557 107.3652 121.6158 109.6574 128.5349 102.6436 102.5761 106.7952 110.1199 110.7523 107.9435 111.0494 110.0923 102.8804 111.5087 108.2518 115.3179 109.5911 108.9872 103.2535 111.4003 108.5861 112.2153 112.876 108.4223 115.7392 107.3628 108.8114 110.0508 108.9091 105.471 111.4948 108.1319 109.38 109.7971 109.9246 108.0301 123.6144 119.244 117.1289 111.8406 109.3324 110.8792 109.471 109.0678 106.0788 121.8878 116.374 121.7369 122.2454 118.9618 118.7925 111.2339 111.337 111.5643 107.4689 107.5699 107.4566 119.2976 120.1228 120.5795 118.977 120.4418 120.5811 110.1726 123.1129 126.7135 119.3695 120.0372 120.5927 114.9475 121.7693 123.2821 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 9 9 9 8 8 8 10 10 10 8 8 8 12 20 6 6 6 20 20 20 6 6 12 12 5 5 22 22 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 12 12 3 3 3 11 11 11 23 23 23 3 3 3 10 10 10 23 23 23 9 9 9 26 26 26 27 27 27 8 8 16 16 8 8 15 15 11 11 11 30 30 30 31 31 31 1 1 13 13 13 13 32 32 15 15 36 36 16 16 37 37 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 8 8 8 9 9 9 8 8 8 10 10 10 6 6 12 12 12 12 12 12 20 20 20 20 22 22 20 20 22 22 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 21 21 21 21 4 12 13 10 11 23 3 12 13 9 24 25 22 22 8 28 29 8 28 29 7 38 7 38 7 39 5 38 6 39 5 28 29 5 28 29 5 28 29 15 16 15 16 15 16 4 24 25 4 24 25 4 24 25 14 26 27 14 26 27 14 26 27 17 30 31 17 30 31 17 30 31 1 18 1 18 19 32 19 32 33 34 35 33 34 35 33 34 35 21 36 21 36 21 37 21 37 2 19 2 19 2 18 2 18 11.2875 128.2426 -109.7482 7.8717 132.0403 -108.0787 -27.5839 -145.9708 93.2625 31.6405 -88.9903 151.677 175.8927 0.5226 -96.0505 24.7455 142.1612 78.3727 -160.8312 -43.4155 -0.5475 179.791 -175.506 4.8325 -0.3481 179.2749 0.3067 179.953 0.0337 -179.5829 -55.2286 -175.0457 66.2439 61.0091 -58.808 -177.5184 -177.628 62.555 -56.1555 -46.6332 134.7059 -165.1176 16.2216 75.3921 -103.2688 -23.6928 96.3811 -140.7436 -145.3105 -25.2366 97.6386 91.2938 -148.6323 -25.757 -49.676 -173.0107 73.3005 67.1637 -56.171 -169.8597 -169.122 67.5433 -46.1454 -175.9011 62.6879 -53.925 -53.9885 -175.3996 67.9876 61.1739 -60.2372 -176.8501 -0.7158 179.7173 177.9713 -1.5956 -179.709 0.0934 1.5441 -178.6535 -178.6636 -58.8268 61.2179 -57.3326 62.5043 -177.451 58.3266 178.1635 -61.7918 -178.9998 0.8765 0.5897 -179.5339 -0.4777 179.6182 179.7196 -0.1846 -179.7462 0.5471 0.378 -179.3286 179.6923 -0.603 -0.4036 179.3011 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 624 A 602 A 962 624 2193.6359149892 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 602 RedAO= T EigKep= 2.20D-06 NBF= 602 NBsUse= 599 1.00D-06 EigRej= 7.01D-07 NBFU= 599 Berny optimization. local minimum Step number 10 out of a maximum of 229 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00187 0.00328 0.00469 0.00470 0.00636 0.00972 0.01076 0.01489 0.01585 0.01831 0.02198 0.02252 0.02267 0.02283 0.02301 0.02303 0.02307 0.02544 0.02604 0.03243 0.03542 0.03622 0.03680 0.04096 0.04574 0.04700 0.04846 0.04919 0.05136 0.05435 0.05540 0.05576 0.05732 0.06251 0.06969 0.08078 0.08303 0.08556 0.08838 0.09448 0.10817 0.10987 0.11100 0.12179 0.12519 0.12840 0.15329 0.15781 0.15878 0.15982 0.16000 0.16000 0.16003 0.16022 0.16027 0.16188 0.19108 0.20515 0.21632 0.21910 0.22350 0.22442 0.22668 0.23527 0.24001 0.24608 0.24993 0.25001 0.27173 0.28927 0.29206 0.29801 0.30089 0.30341 0.30662 0.32706 0.33594 0.34039 0.34102 0.34251 0.34413 0.34565 0.34670 0.34719 0.34814 0.34849 0.34907 0.34961 0.35272 0.35869 0.35899 0.35947 0.36151 0.36482 0.37258 0.39469 0.40298 0.41125 0.41490 0.43528 0.45422 0.45832 0.47990 0.48356 0.48468 0.50311 0.52558 0.54333 0.57635 0.60070 0.67655 -2.22225120e-07 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 3.32838 3.31554 2.68445 2.72866 2.66525 2.70054 2.56856 2.73596 2.55637 2.49727 2.49549 2.57728 2.90991 2.90590 2.89541 2.88377 2.07056 2.07048 2.05833 2.89778 2.07458 2.06968 2.05723 2.05847 2.64755 2.64211 2.89302 2.06506 2.06954 2.63251 2.62700 2.04520 2.06577 2.06830 2.06881 2.62548 2.04294 2.62623 2.04463 2.03703 2.03948 1.91407 1.86513 2.12074 1.91142 2.24789 1.78839 1.79233 1.85873 1.91944 1.92798 1.88070 1.94190 1.93314 1.79606 1.92370 1.87304 2.03238 1.91062 1.91893 1.80201 1.92780 1.88244 1.95678 1.97663 1.91398 2.00887 1.88239 1.88478 1.92619 1.90237 1.85251 1.95006 1.87956 1.91225 1.90560 1.90645 1.90948 2.16367 2.07309 2.04640 1.95763 1.89565 1.92648 1.91897 1.90693 1.85540 2.13402 2.02557 2.12359 2.13378 2.06075 2.08864 1.94114 1.93792 1.94344 1.87971 1.88070 1.87806 2.07850 2.09849 2.10620 2.07192 2.10996 2.10130 1.92498 2.13867 2.21946 2.07929 2.09199 2.11190 2.00763 2.12356 2.15197 0.19648 2.22966 -1.91441 0.15759 2.33649 -1.85731 -0.49956 -2.55846 1.60240 0.58545 -1.50963 2.68209 3.07012 0.00652 -1.79421 0.29834 2.37374 1.25302 -2.93762 -0.86222 -0.00596 3.12315 -3.06221 0.06689 -0.00522 3.12986 0.00254 -3.12584 0.00183 -3.13313 -0.95725 -3.03443 1.16136 1.06211 -1.01507 -3.10248 -3.09332 1.11269 -0.97472 -0.84111 2.30888 -2.90172 0.24826 1.28998 -1.84322 -0.44589 1.62920 -2.47677 -2.55188 -0.47679 1.70043 1.54179 -2.66630 -0.48908 -0.90718 -3.06581 1.22229 1.12933 -1.02930 -3.02438 -2.96854 1.15601 -0.83907 3.11687 0.99228 -1.03542 -1.03104 3.12754 1.09985 0.99691 -1.12769 3.12780 -0.01980 3.12679 3.11351 -0.02307 -3.12659 0.00964 0.02284 -3.12412 -3.13099 -1.03807 1.05430 -1.01978 1.07313 -3.11767 1.01021 3.10313 -1.08768 -3.13010 0.01181 0.00678 -3.13449 -0.00616 3.13494 3.14088 -0.00120 -3.13469 0.01097 0.00658 -3.13094 3.13440 -0.01129 -0.00670 3.13079 0.00000 0.00001 0.00000 -0.00000 0.00003 0.00000 -0.00002 0.00003 -0.00001 0.00002 0.00002 -0.00003 -0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00003 -0.00002 -0.00001 0.00004 0.00002 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 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00002 0.00001 -0.00001 -0.00000 0.00001 -0.00004 0.00002 0.00002 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00003 -0.00001 0.00002 -0.00001 0.00004 0.00001 -0.00004 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00003 0.00001 -0.00003 0.00006 -0.00003 0.00004 0.00003 0.00010 0.00011 0.00009 0.00007 0.00001 0.00011 0.00012 0.00004 -0.00000 0.00002 0.00000 0.00002 0.00002 0.00000 -0.00001 -0.00000 0.00004 -0.00002 -0.00002 -0.00001 0.00000 -0.00002 -0.00000 -0.00000 0.00002 0.00002 0.00002 0.00001 0.00003 0.00004 0.00002 -0.00002 0.00000 0.00002 0.00004 0.00012 -0.00006 -0.00005 0.00012 0.00006 0.00000 -0.00001 0.00009 -0.00000 -0.00001 -0.00007 0.00002 0.00014 -0.00003 -0.00008 -0.00004 0.00000 -0.00000 0.00005 -0.00001 -0.00006 0.00002 0.00001 -0.00002 -0.00001 -0.00005 0.00002 0.00004 0.00002 -0.00001 0.00002 -0.00002 0.00002 -0.00007 0.00007 0.00006 -0.00010 0.00004 0.00002 -0.00001 0.00001 -0.00002 0.00003 -0.00002 0.00007 0.00001 -0.00008 0.00001 -0.00002 0.00001 -0.00002 -0.00002 -0.00003 0.00003 0.00003 0.00002 0.00008 -0.00007 -0.00002 -0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00001 0.00001 0.00004 -0.00005 -0.00012 0.00007 0.00005 -0.00002 -0.00003 -0.00007 -0.00006 -0.00006 -0.00000 0.00008 0.00009 0.00019 -0.00012 -0.00007 -0.00010 -0.00013 -0.00016 0.00026 0.00029 0.00038 0.00030 0.00034 0.00042 0.00001 -0.00005 -0.00004 -0.00009 0.00027 -0.00004 0.00015 0.00020 -0.00027 0.00004 -0.00026 -0.00029 -0.00034 -0.00026 -0.00030 -0.00035 -0.00032 -0.00035 -0.00040 -0.00032 -0.00028 -0.00038 -0.00034 -0.00032 -0.00028 0.00010 0.00013 0.00011 -0.00004 -0.00001 -0.00003 0.00006 0.00008 0.00006 -0.00002 -0.00003 -0.00003 0.00005 0.00004 0.00004 -0.00007 -0.00008 -0.00007 0.00037 0.00039 0.00042 0.00037 0.00039 0.00042 0.00043 0.00045 0.00048 -0.00004 0.00001 -0.00008 -0.00003 -0.00006 -0.00008 -0.00003 -0.00005 0.00008 0.00009 0.00007 0.00007 0.00007 0.00006 0.00004 0.00005 0.00004 0.00008 0.00007 0.00004 0.00002 0.00007 0.00004 0.00009 0.00006 -0.00001 0.00001 0.00000 0.00002 -0.00004 -0.00006 -0.00002 -0.00003 0.00000 0.00003 -0.00000 -0.00001 0.00003 0.00003 -0.00009 0.00004 -0.00007 -0.00004 -0.00008 -0.00008 -0.00001 -0.00008 -0.00002 0.00001 -0.00001 -0.00004 -0.00002 -0.00001 -0.00005 -0.00001 -0.00001 -0.00002 -0.00004 -0.00001 0.00002 0.00000 -0.00001 -0.00001 0.00001 -0.00000 -0.00003 -0.00003 -0.00003 -0.00002 -0.00002 -0.00004 -0.00002 0.00001 -0.00000 0.00003 0.00002 0.00002 0.00006 -0.00006 -0.00009 -0.00004 0.00002 0.00001 -0.00010 -0.00002 -0.00003 0.00011 -0.00001 -0.00009 0.00001 0.00002 0.00003 0.00004 0.00004 -0.00005 -0.00002 0.00002 -0.00010 0.00010 0.00000 -0.00004 0.00006 -0.00001 -0.00005 0.00003 -0.00001 -0.00004 -0.00003 -0.00002 0.00002 0.00008 -0.00009 0.00009 0.00001 -0.00000 -0.00005 -0.00001 0.00006 -0.00001 0.00001 -0.00004 0.00001 0.00004 -0.00002 -0.00001 0.00004 0.00000 -0.00000 0.00002 -0.00000 -0.00000 -0.00001 -0.00006 0.00006 -0.00001 -0.00001 0.00004 -0.00003 -0.00002 -0.00005 0.00007 -0.00003 -0.00003 0.00005 0.00008 -0.00007 -0.00001 -0.00024 -0.00024 -0.00016 0.00014 0.00011 0.00011 0.00025 0.00023 0.00012 -0.00015 -0.00018 -0.00026 0.00040 0.00020 0.00002 -0.00004 0.00002 0.00027 0.00021 0.00027 -0.00047 -0.00009 -0.00069 -0.00032 0.00012 -0.00012 0.00050 0.00011 -0.00039 -0.00014 0.00002 0.00009 -0.00001 0.00005 0.00012 0.00001 0.00007 0.00014 0.00004 0.00022 0.00016 0.00028 0.00022 0.00024 0.00018 0.00000 -0.00002 0.00006 0.00011 0.00009 0.00017 0.00002 -0.00000 0.00007 0.00005 0.00008 0.00003 -0.00002 0.00002 -0.00003 0.00007 0.00011 0.00006 -0.00012 -0.00016 -0.00014 -0.00017 -0.00021 -0.00019 -0.00016 -0.00020 -0.00018 0.00014 0.00001 0.00020 0.00008 0.00003 0.00005 -0.00002 -0.00001 0.00013 0.00013 0.00012 0.00011 0.00011 0.00010 0.00015 0.00015 0.00014 -0.00017 -0.00012 -0.00004 0.00000 -0.00006 0.00001 -0.00007 -0.00000 -0.00001 -0.00004 -0.00006 -0.00009 0.00006 0.00009 -0.00000 0.00002 -0.00000 -0.00000 0.00001 -0.00004 0.00009 -0.00000 -0.00005 0.00006 0.00003 0.00007 0.00002 -0.00002 0.00000 0.00003 0.00010 0.00005 -0.00001 -0.00002 -0.00001 0.00001 -0.00002 -0.00000 -0.00002 -0.00002 0.00000 -0.00003 0.00000 -0.00001 -0.00000 -0.00003 0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00005 0.00006 0.00013 -0.00000 -0.00011 0.00003 0.00003 0.00003 0.00000 -0.00001 -0.00002 -0.00004 0.00004 0.00001 0.00005 -0.00003 -0.00006 -0.00002 0.00004 0.00004 0.00000 -0.00003 -0.00004 -0.00008 0.00011 -0.00002 -0.00004 0.00001 0.00002 -0.00001 0.00005 -0.00003 -0.00001 -0.00005 -0.00000 -0.00005 0.00015 -0.00003 -0.00002 0.00004 0.00001 -0.00005 -0.00000 0.00004 0.00002 -0.00001 0.00003 0.00002 -0.00004 -0.00001 -0.00003 0.00005 -0.00002 -0.00002 -0.00002 0.00002 0.00003 0.00001 0.00003 -0.00000 -0.00002 -0.00001 0.00003 -0.00002 -0.00001 -0.00007 0.00009 -0.00002 0.00001 0.00000 -0.00004 -0.00000 0.00004 -0.00026 -0.00027 -0.00023 0.00009 0.00005 0.00011 0.00033 0.00032 0.00031 -0.00028 -0.00025 -0.00036 0.00028 0.00004 0.00028 0.00026 0.00040 0.00058 0.00055 0.00069 -0.00046 -0.00014 -0.00074 -0.00041 0.00039 -0.00016 0.00065 0.00031 -0.00066 -0.00010 -0.00024 -0.00020 -0.00036 -0.00022 -0.00018 -0.00033 -0.00025 -0.00021 -0.00037 -0.00010 -0.00012 -0.00010 -0.00012 -0.00007 -0.00010 0.00011 0.00011 0.00016 0.00007 0.00008 0.00013 0.00008 0.00008 0.00013 0.00002 0.00005 0.00001 0.00003 0.00006 0.00001 0.00000 0.00003 -0.00002 0.00025 0.00023 0.00028 0.00020 0.00018 0.00023 0.00026 0.00024 0.00029 0.00010 0.00003 0.00013 0.00005 -0.00003 -0.00004 -0.00005 -0.00006 0.00021 0.00021 0.00020 0.00018 0.00018 0.00016 0.00019 0.00020 0.00018 -0.00008 -0.00004 -0.00001 0.00003 0.00001 0.00005 0.00002 0.00006 -0.00002 -0.00003 -0.00006 -0.00007 0.00002 0.00003 -0.00002 -0.00001 3.32838 3.31554 2.68446 2.72863 2.66534 2.70054 2.56852 2.73603 2.55640 2.49734 2.49550 2.57727 2.90992 2.90593 2.89551 2.88382 2.07055 2.07046 2.05832 2.89779 2.07456 2.06968 2.05721 2.05845 2.64755 2.64208 2.89303 2.06505 2.06953 2.63249 2.62701 2.04519 2.06576 2.06829 2.06880 2.62547 2.04295 2.62623 2.04463 2.03703 2.03948 1.91412 1.86519 2.12087 1.91142 2.24778 1.78842 1.79236 1.85876 1.91945 1.92797 1.88068 1.94186 1.93318 1.79607 1.92375 1.87301 2.03232 1.91061 1.91898 1.80205 1.92780 1.88241 1.95674 1.97656 1.91408 2.00885 1.88234 1.88479 1.92621 1.90236 1.85256 1.95003 1.87955 1.91220 1.90560 1.90640 1.90963 2.16364 2.07307 2.04644 1.95764 1.89560 1.92647 1.91900 1.90696 1.85539 2.13405 2.02558 2.12354 2.13377 2.06072 2.08869 1.94112 1.93789 1.94342 1.87973 1.88073 1.87807 2.07853 2.09848 2.10617 2.07191 2.10999 2.10128 1.92497 2.13860 2.21955 2.07927 2.09201 2.11190 2.00759 2.12356 2.15201 0.19622 2.22938 -1.91464 0.15767 2.33654 -1.85720 -0.49923 -2.55814 1.60271 0.58517 -1.50989 2.68173 3.07040 0.00657 -1.79392 0.29860 2.37414 1.25359 -2.93707 -0.86153 -0.00642 3.12301 -3.06295 0.06648 -0.00483 3.12969 0.00319 -3.12553 0.00117 -3.13323 -0.95749 -3.03463 1.16100 1.06189 -1.01525 -3.10281 -3.09357 1.11247 -0.97508 -0.84120 2.30876 -2.90182 0.24814 1.28990 -1.84332 -0.44579 1.62932 -2.47660 -2.55181 -0.47670 1.70056 1.54186 -2.66622 -0.48895 -0.90716 -3.06576 1.22230 1.12936 -1.02924 -3.02437 -2.96854 1.15604 -0.83909 3.11713 0.99251 -1.03514 -1.03085 3.12772 1.10007 0.99717 -1.12744 3.12809 -0.01970 3.12682 3.11364 -0.02303 -3.12662 0.00960 0.02279 -3.12418 -3.13078 -1.03786 1.05450 -1.01961 1.07331 -3.11751 1.01040 3.10332 -1.08750 -3.13018 0.01177 0.00678 -3.13447 -0.00615 3.13500 3.14090 -0.00114 -3.13472 0.01093 0.00652 -3.13101 3.13442 -0.01126 -0.00673 3.13078 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000039 0.000010 0.001392 0.000335 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.029937e-07 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 2 3 3 4 4 5 5 5 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 14 15 16 16 17 17 17 18 18 19 19 20 22 15 21 8 9 8 10 6 12 20 22 20 22 12 13 10 11 23 24 25 14 26 27 28 29 15 16 17 30 31 18 19 32 33 34 35 21 36 21 37 38 39 1.7613 1.7545 1.4206 1.4439 1.4104 1.4291 1.3592 1.4478 1.3528 1.3215 1.3206 1.3638 1.5399 1.5377 1.5322 1.526 1.0957 1.0956 1.0892 1.5334 1.0978 1.0952 1.0886 1.0893 1.401 1.3981 1.5309 1.0928 1.0952 1.3931 1.3901 1.0823 1.0932 1.0945 1.0948 1.3893 1.0811 1.3897 1.082 1.078 1.0792 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 8 8 6 6 12 5 20 3 3 3 4 4 12 3 3 3 10 10 11 4 4 4 9 9 24 9 9 9 14 14 26 5 5 5 8 8 28 8 8 15 11 11 11 17 17 30 1 1 13 13 13 19 14 14 14 33 33 34 15 15 21 16 16 21 5 5 7 2 2 18 6 6 7 3 4 5 5 5 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 9 10 12 20 20 22 22 4 12 13 12 13 13 10 11 23 11 23 23 9 24 25 24 25 25 14 26 27 26 27 27 8 28 29 28 29 29 15 16 16 17 30 31 30 31 31 13 18 18 19 32 32 33 34 35 34 35 35 21 36 36 21 37 37 7 38 38 18 19 19 7 39 39 109.6683 106.8639 121.5092 109.5163 128.7947 102.4675 102.6928 106.4975 109.976 110.4654 107.7562 111.2626 110.7605 102.9064 110.2199 107.3172 116.4466 109.4707 109.9468 103.2476 110.4545 107.8559 112.1152 113.2527 109.6628 115.0998 107.8528 107.9901 110.3628 108.9975 106.1412 111.7301 107.6909 109.564 109.1827 109.2314 109.405 123.9692 118.7792 117.25 112.1638 108.613 110.379 109.9486 109.2593 106.3068 122.2704 116.0566 121.6725 122.2568 118.0721 119.6704 111.2189 111.0346 111.3507 107.6993 107.7562 107.6052 119.0895 120.2343 120.6762 118.7121 120.892 120.3958 110.2932 122.5366 127.1658 119.1346 119.8623 121.0027 115.0288 121.6712 123.2989 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 9 9 9 8 8 8 10 10 10 8 8 8 12 20 6 6 6 20 20 20 6 6 12 12 5 5 22 22 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 12 12 3 3 3 11 11 11 23 23 23 3 3 3 10 10 10 23 23 23 9 9 9 26 26 26 27 27 27 8 8 16 16 8 8 15 15 11 11 11 30 30 30 31 31 31 1 1 13 13 13 13 32 32 15 15 36 36 16 16 37 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 8 8 8 9 9 9 8 8 8 10 10 10 6 6 12 12 12 12 12 12 20 20 20 20 22 22 20 20 22 22 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 21 21 21 4 12 13 10 11 23 3 12 13 9 24 25 22 22 8 28 29 8 28 29 7 38 7 38 7 39 5 38 6 39 5 28 29 5 28 29 5 28 29 15 16 15 16 15 16 4 24 25 4 24 25 4 24 25 14 26 27 14 26 27 14 26 27 17 30 31 17 30 31 17 30 31 1 18 1 18 19 32 19 32 33 34 35 33 34 35 33 34 35 21 36 21 36 21 37 21 37 2 19 2 19 2 18 2 11.2576 127.7498 -109.6878 9.0291 133.871 -106.4161 -28.6227 -146.5891 91.8107 33.5439 -86.4956 153.6727 175.9048 0.3737 -102.8004 17.0939 136.0052 71.7927 -168.313 -49.4017 -0.3413 178.9432 -175.452 3.8326 -0.2992 179.3275 0.1458 -179.0973 0.1048 -179.5152 -54.8462 -173.8598 66.5409 60.8542 -58.1595 -177.7588 -177.2342 63.7522 -55.8471 -48.1919 132.2891 -166.2565 14.2245 73.9102 -105.6088 -25.5478 93.3466 -141.9082 -146.2122 -27.3178 97.4274 88.3379 -152.7677 -28.0225 -51.9775 -175.6579 70.0322 64.7058 -58.9746 -173.2845 -170.0849 66.2347 -48.0752 178.5837 56.8532 -59.3253 -59.0745 179.195 63.0165 57.1187 -64.6117 179.2098 -1.1346 179.1522 178.3912 -1.3221 -179.1401 0.5524 1.3086 -178.9989 -179.3927 -59.4773 60.4071 -58.4293 61.4861 -178.6295 57.8806 177.796 -62.3196 -179.3414 0.6766 0.3887 -179.5933 -0.3529 179.6191 179.9593 -0.0687 -179.6048 0.6284 0.3771 -179.3897 179.588 -0.6468 -0.3841 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0489423424 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.326885 0.000000 2.937801 6.693241 0.000000 4.514179 6.641362 2.239066 0.000000 4.453013 8.153439 2.821599 2.830595 0.000000 5.724448 8.945068 3.843356 3.139091 1.336249 0.000000 5.939233 10.192292 4.066535 4.436172 2.172909 2.242877 0.000000 3.160034 6.047506 1.398094 1.390996 2.454456 3.309034 4.288554 0.000000 4.221521 7.422883 1.421424 2.302467 3.559328 4.239731 4.356220 2.310439 0.000000 4.932659 7.064912 2.306016 1.408997 3.773354 4.103139 4.906895 2.256116 1.526415 0.000000 4.517238 7.508222 2.432127 3.621478 4.981786 5.743503 5.616224 3.500678 1.520020 2.573870 0.000000 3.459347 6.742325 2.404904 2.367074 1.434630 2.419423 3.568058 1.534066 3.473116 3.522613 4.780221 0.000000 2.736236 4.520384 2.408974 2.407542 3.788002 4.640931 5.743903 1.527952 3.317178 3.103432 4.056796 2.509675 0.000000 4.073312 6.315981 2.931281 4.075043 5.726267 6.604132 6.740615 3.739777 2.578397 3.218069 1.524707 5.148337 3.684294 0.000000 1.731073 3.975552 2.963632 3.711909 4.547995 5.606107 6.406317 2.575633 4.068135 4.239682 4.477576 3.250770 1.393490 3.808820 0.000000 3.998755 3.976512 3.566986 2.731702 4.688349 5.256610 6.705035 2.519547 4.131469 3.414591 4.818802 3.439676 1.391462 4.316972 2.376197 0.000000 5.169819 7.001396 4.381907 5.551956 7.182907 8.062725 8.021561 5.259923 3.911415 4.564836 2.523642 6.648325 5.106445 1.522218 5.040367 5.634522 0.000000 2.655610 2.687791 4.291609 4.820416 5.862065 6.860881 7.776012 3.850329 5.268360 5.294600 5.473555 4.502075 2.428509 4.499266 1.386699 2.758254 5.485906 0.000000 4.495477 2.696658 4.733811 4.105143 5.972151 6.574058 8.025502 3.813411 5.318450 4.653107 5.760151 4.641842 2.430354 4.943654 2.766380 1.384002 6.044491 2.403513 0.000000 4.640049 9.001090 3.017374 3.731786 1.342235 2.189485 1.307496 3.249801 3.648629 4.311749 4.900769 2.501806 4.618654 5.830272 5.159283 5.697877 7.164122 6.526933 6.964451 0.000000 3.953214 1.723566 5.013850 4.966672 6.462314 7.270209 8.486819 4.324020 5.788200 5.454011 6.033421 5.068227 2.796876 5.011037 2.390626 2.384276 5.962861 1.383614 1.383497 7.310376 0.000000 6.431287 10.096768 4.407639 4.071229 2.065313 1.309233 1.350767 4.239759 4.617314 4.735957 6.040606 3.446449 5.682978 7.114698 6.564525 6.409762 8.484749 7.883992 7.752842 2.074418 8.398541 0.000000 4.892416 8.464859 2.049432 2.815824 3.387157 3.921153 3.633045 2.948957 1.096867 2.157740 2.144409 3.742023 4.205491 3.493789 4.961962 5.052683 4.665956 6.233326 6.306510 3.191604 6.803962 3.998131 0.000000 5.090474 6.449118 2.891976 2.077769 4.709895 5.085732 5.978270 2.776062 2.190899 1.097145 2.666344 4.210410 3.084605 2.839147 4.151055 3.093675 4.073831 4.977385 4.127833 5.303461 4.955659 5.803777 3.037013 0.000000 5.964717 8.019480 3.196964 2.037421 4.140974 4.155938 4.939092 3.155647 2.193211 1.089577 3.165815 4.188083 4.119512 4.040377 5.308385 4.291688 5.236524 6.357072 5.526543 4.624509 6.437971 4.624352 2.361993 1.773826 0.000000 5.594008 8.176742 3.346457 4.057894 5.653367 6.225994 6.114116 4.265793 2.122849 2.764159 1.096163 5.569047 4.859171 2.161560 5.419233 5.415961 2.726017 6.348897 6.346921 5.582596 6.754396 6.444512 2.489778 2.748837 3.021024 0.000000 4.581785 8.171219 2.786328 4.400874 5.205392 6.061138 5.527797 4.082216 2.139623 3.487741 1.093453 5.155882 4.721998 2.144980 4.935382 5.662428 2.763488 5.970940 6.591988 4.844824 6.713932 6.180498 2.372786 3.729735 4.009490 1.742604 0.000000 4.167351 6.611152 3.336831 2.613733 2.053205 2.519375 4.196559 2.161028 4.275253 3.971597 5.611543 1.088730 2.765369 5.884308 3.629288 3.299152 7.399877 4.683492 4.429591 3.321952 5.009453 3.752958 4.582686 4.563657 4.548060 6.325523 6.103000 0.000000 2.781089 6.571762 2.717315 3.310077 2.069520 3.229919 3.954150 2.163316 4.023311 4.339227 5.139778 1.089631 2.716151 5.353971 2.964270 3.830116 6.788932 4.177004 4.837228 2.742375 4.970015 4.096003 4.328420 4.937832 5.108409 6.055883 5.365096 1.762667 0.000000 3.068237 5.804960 2.652356 4.160100 5.440567 6.474608 6.582587 3.464528 2.850034 3.638388 2.148461 4.730039 3.233947 1.090845 3.020692 4.092530 2.148041 3.729375 4.651873 5.530788 4.481919 7.037104 3.769861 3.397215 4.597675 3.057444 2.467970 5.506027 4.730392 0.000000 4.355848 5.683607 3.173687 3.708263 5.809762 6.571624 7.057785 3.581836 2.810572 2.892167 2.169994 5.090290 3.297275 1.093494 3.634271 3.598587 2.144864 4.178460 4.149778 6.149986 4.400972 7.233134 3.842184 2.193467 3.734012 2.561402 3.061347 5.653138 5.414640 1.745394 0.000000 4.868403 4.823759 3.838867 2.342746 4.620573 4.922384 6.569203 2.689420 4.141240 3.079251 4.987148 3.566404 2.135781 4.719547 3.358918 1.081032 6.057067 3.839215 2.127276 5.722859 3.359432 6.088959 4.959582 2.800237 3.748294 5.416414 5.913731 3.274047 4.215826 4.702914 3.927472 0.000000 5.277700 6.419544 5.007173 6.110569 7.821985 8.747600 8.840415 5.732666 4.735177 5.251033 3.475608 7.120968 5.289166 2.169375 5.035889 5.699000 1.089721 5.202805 5.856700 7.894398 5.608223 9.273504 5.587787 4.623578 6.002399 3.743582 3.753463 7.803806 7.179382 2.482421 2.483756 6.234884 0.000000 5.292823 7.742589 4.645226 6.134142 7.399921 8.347487 8.015564 5.719233 4.233396 5.169616 2.780197 6.985165 5.703076 2.171787 5.509061 6.415167 1.091214 6.033159 6.881201 7.186454 6.692798 8.638568 4.815400 4.862102 5.812060 3.049808 2.572357 7.839199 7.027608 2.517359 3.063246 6.880079 1.758454 0.000000 6.133219 7.644087 4.964432 5.834443 7.678083 8.424388 8.415915 5.790556 4.209577 4.671787 2.802253 7.234835 5.736286 2.174651 5.866706 6.105298 1.091268 6.317336 6.543968 7.678647 6.632218 8.802329 4.876914 4.106001 5.153007 2.556075 3.156667 7.942234 7.507391 3.066463 2.511454 6.367629 1.759634 1.759561 0.000000 2.767554 2.836897 4.975745 5.790994 6.578890 7.664772 8.401314 4.717777 6.005219 6.211323 6.061185 5.259224 3.402958 5.003063 2.143567 3.838888 5.798560 1.080664 3.384684 7.115145 2.145591 8.628892 6.941150 5.906278 7.291104 6.982565 6.417532 5.509193 4.755457 4.116201 4.836847 4.919845 5.398069 6.221028 6.717676 0.000000 5.576070 2.851965 5.645130 4.708100 6.752874 7.203098 8.809248 4.664128 6.083541 5.217031 6.517324 5.471278 3.405389 5.701578 3.847135 2.144599 6.715593 3.384826 1.080787 7.819055 2.145604 8.414536 7.058067 4.594571 5.965283 6.979670 7.421866 5.121421 5.763057 5.542229 4.793036 2.452316 6.482591 7.629662 7.093946 4.280651 0.000000 4.030276 8.823047 2.845732 4.175263 2.132382 3.216045 2.135274 3.403719 3.643932 4.608321 4.651214 2.834998 4.606077 5.486246 4.872803 5.843493 6.728510 6.226859 7.020416 1.078686 7.173107 3.132472 3.282949 5.505027 5.077576 5.455095 4.412792 3.811907 2.724259 5.058269 5.957895 6.049903 7.427484 6.629215 7.345822 6.681460 7.960184 0.000000 7.502392 11.000370 5.383879 4.818301 3.104900 2.089304 2.141900 5.181923 5.430189 5.414791 6.836538 4.432763 6.618098 7.981740 7.572167 7.229278 9.323207 8.873074 8.577463 3.115312 9.311471 1.078810 4.733390 6.478274 5.112341 7.116102 6.993839 4.599023 5.126234 7.987858 8.063555 6.792837 10.147612 9.489455 9.556236 9.650785 9.162374 4.144328 0.000000 C15H17Cl2N3O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3694635 0.1599799 0.1390349 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 5.381188 0.000000 3.007570 6.742835 0.000000 4.585735 6.693942 2.268272 0.000000 4.488551 8.239889 2.843106 2.851920 0.000000 5.786892 9.067375 3.951910 3.259372 1.359226 0.000000 6.006593 10.284934 4.073659 4.434538 2.193856 2.265269 0.000000 3.207873 6.095157 1.420551 1.410388 2.473488 3.401047 4.307736 0.000000 4.325178 7.469275 1.443947 2.322357 3.585396 4.376645 4.341719 2.341733 0.000000 5.013405 7.082267 2.328281 1.429063 3.814919 4.269552 4.912926 2.280531 1.532185 0.000000 4.616757 7.558302 2.436576 3.661843 4.999017 5.876335 5.583388 3.534833 1.526026 2.599808 0.000000 3.482106 6.819208 2.425637 2.384328 1.447809 2.449619 3.602879 1.539860 3.502885 3.554483 4.806482 0.000000 2.774897 4.558691 2.431077 2.434508 3.822170 4.731169 5.781327 1.537736 3.349383 3.118442 4.096676 2.532679 0.000000 4.175468 6.349872 2.933417 4.106416 5.749448 6.731227 6.728367 3.765713 2.581759 3.218012 1.533437 5.175475 3.713769 0.000000 1.761301 4.011596 2.999399 3.750328 4.583632 5.680433 6.459483 2.595194 4.123453 4.271220 4.537348 3.272932 1.401023 3.864382 0.000000 4.043936 4.012925 3.577510 2.741843 4.736543 5.365877 6.743031 2.527765 4.132669 3.393338 4.832058 3.481920 1.398145 4.314248 2.389869 0.000000 5.171560 7.019024 4.355052 5.619173 7.181442 8.188222 7.975511 5.279440 3.930089 4.626059 2.542916 6.649923 5.125178 1.530922 5.045238 5.656118 0.000000 2.682974 2.717009 4.325953 4.858616 5.909855 6.942490 7.839814 3.873729 5.316567 5.316154 5.527495 4.538201 2.439888 4.546934 1.393066 2.773380 5.487324 0.000000 4.541682 2.727238 4.750536 4.121274 6.030174 6.683617 8.076720 3.829351 5.324095 4.632166 5.775380 4.693298 2.441724 4.941148 2.782597 1.390149 6.061947 2.418824 0.000000 4.688307 9.074303 2.968903 3.688965 1.352773 2.214957 1.320556 3.228971 3.574844 4.261105 4.809966 2.525933 4.625848 5.766299 5.188673 5.707827 7.055445 6.570196 6.991606 0.000000 3.987174 1.754508 5.035289 4.991073 6.515121 7.363636 8.544461 4.340807 5.810068 5.448837 6.062636 5.111982 2.804252 5.027066 2.398508 2.391682 5.967462 1.389344 1.389740 7.346524 0.000000 6.503485 10.215417 4.490718 4.150376 2.090313 1.321499 1.363840 4.311607 4.715385 4.858556 6.131657 3.483042 5.761050 7.206409 6.639212 6.498453 8.569305 7.966705 7.847213 2.096518 8.485882 0.000000 4.982506 8.504509 2.056065 2.805157 3.379576 4.025392 3.585719 2.954470 1.095694 2.160396 2.161050 3.741029 4.219546 3.508691 5.002920 5.039912 4.697079 6.271514 6.301131 3.080282 6.816413 4.070795 0.000000 5.129116 6.414667 2.884127 2.082551 4.728549 5.232712 5.975086 2.763973 2.193633 1.095649 2.705494 4.209220 3.052843 2.832009 4.134797 3.021815 4.160599 4.948680 4.054567 5.237808 4.898651 5.915547 3.049218 0.000000 6.050701 8.021928 3.227919 2.045285 4.196160 4.347022 4.957975 3.181743 2.202660 1.089223 3.193922 4.226486 4.131454 4.037434 5.338325 4.260786 5.311988 6.373361 5.491102 4.585290 6.421821 4.773819 2.379142 1.786051 0.000000 5.700937 8.247204 3.365840 4.128226 5.685601 6.388205 6.073068 4.324174 2.135690 2.823654 1.097822 5.615739 4.925440 2.174441 5.497461 5.459699 2.790086 6.421900 6.389645 5.486263 6.807073 6.552600 2.507331 2.849150 3.080932 0.000000 4.628489 8.194428 2.746354 4.412467 5.174836 6.143805 5.460069 4.074060 2.135574 3.505853 1.095227 5.132133 4.720367 2.155080 4.950519 5.645971 2.752631 5.986787 6.580613 4.712154 6.712198 6.231558 2.391908 3.760102 4.046814 1.753072 0.000000 4.190523 6.703196 3.353710 2.611957 2.058934 2.513194 4.224671 2.158226 4.292820 3.988086 5.635232 1.088639 2.789893 5.911349 3.654279 3.352781 7.416118 4.727417 4.496063 3.350503 5.066463 3.765547 4.565117 4.551733 4.564496 6.372605 6.079352 0.000000 2.775379 6.648052 2.725846 3.323569 2.083009 3.236200 4.006786 2.159336 4.047818 4.361520 5.153406 1.089296 2.727024 5.370215 2.973175 3.867254 6.753415 4.206166 4.887409 2.798740 5.011702 4.124368 4.328922 4.920913 5.139945 6.085487 5.324217 1.777550 0.000000 3.127592 5.760543 2.571354 4.069301 5.379285 6.493232 6.532827 3.369629 2.795682 3.536544 2.148323 4.653585 3.128442 1.092783 2.973842 3.954898 2.163205 3.690161 4.529343 5.430682 4.397068 7.047352 3.742900 3.264335 4.507663 3.064326 2.497458 5.419615 4.658776 0.000000 4.569849 5.805271 3.262790 3.809048 5.922324 6.780180 7.106900 3.708368 2.842648 2.913533 2.172645 5.224108 3.449348 1.095153 3.816294 3.698598 2.156180 4.344480 4.242502 6.163496 4.522540 7.390036 3.867457 2.193587 3.718867 2.535682 3.067785 5.788682 5.546855 1.750883 0.000000 4.905188 4.870102 3.824560 2.320537 4.653466 5.030587 6.580121 2.676771 4.106351 3.023235 4.970260 3.595809 2.133136 4.689651 3.367319 1.082272 6.076740 3.855625 2.143206 5.703712 3.374714 6.165609 4.909017 2.705100 3.680601 5.433468 5.872382 3.319512 4.241912 4.539354 3.981031 0.000000 5.281812 6.419641 4.984823 6.164666 7.823838 8.866011 8.807267 5.746058 4.750630 5.290540 3.496396 7.122662 5.298434 2.179479 5.035027 5.706021 1.093157 5.195447 5.857802 7.803808 5.599494 9.356328 5.616056 4.674949 6.050387 3.796852 3.757144 7.818590 7.148486 2.506950 2.494201 6.240579 0.000000 5.182404 7.690209 4.552421 6.150542 7.319593 8.398177 7.908991 5.667006 4.228829 5.210241 2.801445 6.899611 5.642010 2.178185 5.420177 6.370157 1.094497 5.944529 6.833080 7.006167 6.621399 8.659582 4.834070 4.930449 5.887407 3.142349 2.561621 7.768129 6.892217 2.524139 3.073182 6.842110 1.766469 0.000000 6.171845 7.735153 4.975483 5.975977 7.724823 8.616682 8.384006 5.874167 4.253441 4.800136 2.813596 7.296718 5.829609 2.182343 5.933087 6.216133 1.094767 6.382704 6.651181 7.585577 6.714613 8.934016 4.922467 4.288683 5.294903 2.614581 3.116902 8.029607 7.524267 3.080540 2.525187 6.483286 1.767328 1.766708 0.000000 2.787560 2.859357 5.016261 5.833153 6.626234 7.737437 8.473062 4.744165 6.064558 6.240942 6.125947 5.293478 3.415651 5.065286 2.150822 3.854444 5.793883 1.081078 3.399513 7.169387 2.152113 8.708801 6.993169 5.886397 7.316842 7.061888 6.445566 5.549879 4.783037 4.123043 5.008596 4.936672 5.387363 6.121966 6.764360 0.000000 5.623327 2.871703 5.660642 4.723854 6.819995 7.326042 8.863538 4.683539 6.080116 5.188000 6.522419 5.531969 3.420785 5.685222 3.864562 2.155844 6.735713 3.398406 1.081974 7.849033 2.150271 8.518553 7.044384 4.516174 5.916865 7.013081 7.405211 5.201094 5.823102 5.409589 4.853165 2.481422 6.482931 7.593126 7.210634 4.292679 0.000000 4.068774 8.863780 2.690475 4.061658 2.135545 3.239015 2.150764 3.320239 3.447098 4.450513 4.423863 2.848922 4.562596 5.305402 4.870602 5.798366 6.479457 6.243378 6.999296 1.077952 7.172710 3.154864 3.052774 5.328149 4.930999 5.213464 4.137916 3.844604 2.803780 4.878756 5.861120 5.968136 7.212590 6.304043 7.091166 6.721396 7.937489 0.000000 7.577232 11.129109 5.489407 4.927213 3.130863 2.099713 2.154304 5.271238 5.565180 5.582755 6.970832 4.470218 6.710980 8.110846 7.655170 7.337183 9.458835 8.963157 8.688481 3.137566 9.410185 1.079248 4.848461 6.641965 5.319989 7.277550 7.089549 4.608376 5.147914 8.025711 8.251751 6.896016 10.276614 9.566085 9.748227 9.734407 9.286482 4.167789 0.000000 C15H17Cl2N3O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3654683 0.1569357 0.1369070 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= 616 616 616 616 616 MxSgAt= 39 MxSgA2= 39. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2173.9294630254 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0485495596 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2180.5316309410 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0493290512 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2178.4280340123 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0489690411 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2176.0886572716 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0488555587 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2176.7980815154 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0489074816 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2176.7812719656 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0488931847 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2176.2940106093 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0488510088 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2176.0683188925 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0488338781 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2175.9756459188 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0488291600 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= 602 RedAO= T EigKep= 2.33D-06 NBF= 602 NBsUse= 599 1.00D-06 EigRej= 7.38D-07 NBFU= 599 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= 616 616 616 616 616 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1816.69123416468 -1816.89152937984 -0.200295215155 -1817.20190326102 -0.310373881181 -1817.22252719245 -0.020623931436 -1817.23907880806 -0.016551615608 -1817.23986721900 -0.000788410943 -1817.23995667105 -0.000089452051 -1817.23996683363 -0.000010162573 -1817.23996741618 -0.000000582557 -1817.23996751124 -0.000000095055 -1817.23996751528 -0.000000004045 -1817.23996751713 -0.000000001849 -1817.23996751705 0.000000000079 -1817.23996751717 -0.000000000119 -1817.23996751698 0.000000000196 -1817.23996751707 -0.000000000088 -1817.23996752 16 1.812068583679e+03 -8.663500572025e+03 2.840605048183e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 6606028800 LenX= 6605233232 LenY= 6604843232 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. -1.07388839e+00 7.24236981e-01 -4.61214259e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 17 17 8 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 1 1 -0.002387967 0.003868582 0.013978815 -0.000321210 -0.014612359 -0.001097581 -0.004989380 0.001479502 0.013980523 0.009887699 0.003979496 -0.011025531 -0.002088344 -0.011290247 0.005069180 0.011318012 -0.002107269 -0.015561109 -0.004257477 0.013892780 0.006022210 0.008806157 -0.008629617 0.002747292 -0.007595659 0.007265716 -0.004709601 -0.009125550 0.002747084 -0.007604100 -0.002507609 0.001940655 0.001011236 0.005298394 -0.005994927 0.002396988 0.000562508 -0.000552770 -0.001114045 0.001319903 -0.002759546 -0.000158302 0.000515938 -0.001967775 -0.003756160 0.001083238 0.001855081 -0.005063934 -0.002922133 -0.001621018 0.000310937 -0.000930078 -0.003276588 0.003910660 0.001319613 -0.000755395 -0.005332839 -0.008575142 -0.006687368 0.013463296 -0.000097526 0.006281617 0.000795765 0.004710888 0.016300020 -0.007079822 0.001542281 -0.000175450 0.000433990 0.000819352 -0.001153048 0.001076328 0.000959185 0.000575696 -0.000012551 -0.000557528 0.000477502 -0.001434183 0.000305083 0.000441245 0.001515830 -0.000762197 0.000140484 -0.001730249 -0.001864360 0.000017538 0.000152887 0.001901603 0.000388938 0.000992571 0.000973493 0.000038825 -0.001048316 -0.000235650 0.002002161 0.000071433 -0.000380906 -0.002434889 0.000104632 -0.000696722 0.001123733 0.001946128 -0.001051751 0.000963411 -0.001944737 -0.000102010 -0.000292621 0.000405497 0.000115108 -0.000977125 -0.000652423 -0.000226766 -0.000882225 -0.000745124 0.000237510 0.000390171 -0.000315589 0.016300020 0.005103337 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1817.24412649622 -1817.24413129996 -0.000004803734 -1817.24413129056 0.000000009391 -1817.24413135889 -0.000000068329 -1817.24413136321 -0.000000004319 -1817.24413136404 -0.000000000825 -1817.24413136428 -0.000000000247 -1817.24413136402 0.000000000267 -1817.24413136405 -0.000000000030 -1817.24413136 9 1.811394748712e+03 -8.627669489672e+03 2.823103792837e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 6606028800 LenX= 6605233232 LenY= 6604843232 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) PT113497S Fri Sep 3 18:18:30 2021 -1.09491433e+00 7.86197846e-01 -5.38365768e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1817.2441314 5.178E-9 1.836E-5 3.6771883,-10.811893,7.1347047,-6.2051007,2.1638529,-3.9703821 C01 [X(C15H17Cl2N3O2)] -0.9248876 -0.9003113 -0.6639313 -0.000008530 0.000003446 -0.000001270 -0.000000311 -0.000006769 0.000001144 -0.000010129 -0.000017445 -0.000000293 0.000008975 0.000003067 -0.000037980 0.000016305 0.000008228 -0.000039855 -0.000025512 -0.000016291 0.000056324 0.000097397 -0.000017706 0.000023846 0.000018361 -0.000005092 0.000047930 0.000006662 0.000011391 0.000014018 -0.000010658 -0.000009049 -0.000031693 -0.000019958 0.000008223 -0.000000667 0.000017024 -0.000038894 0.000036537 -0.000001448 -0.000007264 -0.000012681 -0.000001999 -0.000011244 0.000001191 0.000008725 -0.000003183 -0.000006792 -0.000003521 0.000001447 0.000002570 -0.000008912 -0.000001711 -0.000003145 -0.000000635 0.000006161 0.000002585 -0.000003171 -0.000007228 0.000003757 -0.000034252 -0.000000162 -0.000021013 0.000000872 0.000024231 -0.000004107 -0.000056262 0.000066044 -0.000034195 0.000005673 -0.000005149 0.000000653 0.000005261 0.000003316 0.000008786 0.000006801 0.000006481 0.000014370 0.000007464 -0.000004332 0.000002465 0.000001176 -0.000002407 -0.000000395 -0.000008653 0.000007468 -0.000002655 -0.000011771 0.000006311 -0.000001809 -0.000001537 0.000005124 -0.000005002 -0.000000894 0.000001251 -0.000001138 -0.000000530 0.000002379 0.000005442 0.000003782 0.000005591 -0.000001152 0.000002285 0.000001762 -0.000005376 0.000004558 -0.000000286 0.000000470 -0.000002074 -0.000002754 -0.000001593 0.000000211 -0.000002738 0.000003577 -0.000006108 -0.000013086 -0.000013570 0.000005334 0.000000869 0.000000714 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-DUBNIO PAULAPLA Optimization propiconazole_RR CONF130 gas EM64L-G16RevC.01 111 C1[X(C15H17Cl2N3O2)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization propiconazole_RR CONF130 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 35 35 16 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 1 1 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 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 1 1 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/paulapla/almacen/ADAMA/censo_results/propiconazole_RR/gas/CONF130/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 1 2 3 3 4 4 5 5 5 6 7 7 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 14 14 15 16 16 17 17 17 18 18 19 19 20 22 15 21 8 9 8 10 6 12 20 22 20 22 12 13 10 11 23 24 25 14 26 27 28 29 15 16 17 30 31 18 19 32 33 34 35 21 36 21 37 38 39 1.7613 1.7545 1.4206 1.4439 1.4104 1.4291 1.3592 1.4478 1.3528 1.3215 1.3206 1.3638 1.5399 1.5377 1.5322 1.526 1.0957 1.0956 1.0892 1.5334 1.0978 1.0952 1.0886 1.0893 1.401 1.3981 1.5309 1.0928 1.0952 1.3931 1.3901 1.0823 1.0932 1.0945 1.0948 1.3893 1.0811 1.3897 1.082 1.078 1.0792 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 8 8 6 6 12 5 20 3 3 3 4 4 12 3 3 3 10 10 11 4 4 4 9 9 24 9 9 9 14 14 26 5 5 5 8 8 28 8 8 15 11 11 11 17 17 30 1 1 13 13 13 19 14 14 14 33 33 34 15 15 21 16 16 21 5 5 7 2 2 18 6 6 7 3 4 5 5 5 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 14 14 14 14 14 14 15 15 15 16 16 16 17 17 17 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 9 10 12 20 20 22 22 4 12 13 12 13 13 10 11 23 11 23 23 9 24 25 24 25 25 14 26 27 26 27 27 8 28 29 28 29 29 15 16 16 17 30 31 30 31 31 13 18 18 19 32 32 33 34 35 34 35 35 21 36 36 21 37 37 7 38 38 18 19 19 7 39 39 109.6683 106.8639 121.5092 109.5163 128.7947 102.4675 102.6928 106.4975 109.976 110.4654 107.7562 111.2626 110.7605 102.9064 110.2199 107.3172 116.4466 109.4707 109.9468 103.2476 110.4545 107.8559 112.1152 113.2527 109.6628 115.0998 107.8528 107.9901 110.3628 108.9975 106.1412 111.7301 107.6909 109.564 109.1827 109.2314 109.405 123.9692 118.7792 117.25 112.1638 108.613 110.379 109.9486 109.2593 106.3068 122.2704 116.0566 121.6725 122.2568 118.0721 119.6704 111.2189 111.0346 111.3507 107.6993 107.7562 107.6052 119.0895 120.2343 120.6762 118.7121 120.892 120.3958 110.2932 122.5366 127.1658 119.1346 119.8623 121.0027 115.0288 121.6712 123.2989 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 9 9 9 8 8 8 10 10 10 8 8 8 12 20 6 6 6 20 20 20 6 6 12 12 5 5 22 22 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 12 12 3 3 3 11 11 11 23 23 23 3 3 3 10 10 10 23 23 23 9 9 9 26 26 26 27 27 27 8 8 16 16 8 8 15 15 11 11 11 30 30 30 31 31 31 1 1 13 13 13 13 32 32 15 15 36 36 16 16 37 37 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 18 18 18 18 19 19 19 19 8 8 8 9 9 9 8 8 8 10 10 10 6 6 12 12 12 12 12 12 20 20 20 20 22 22 20 20 22 22 12 12 12 12 12 12 12 12 12 13 13 13 13 13 13 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 17 17 17 17 17 18 18 18 18 19 19 19 19 21 21 21 21 21 21 21 21 4 12 13 10 11 23 3 12 13 9 24 25 22 22 8 28 29 8 28 29 7 38 7 38 7 39 5 38 6 39 5 28 29 5 28 29 5 28 29 15 16 15 16 15 16 4 24 25 4 24 25 4 24 25 14 26 27 14 26 27 14 26 27 17 30 31 17 30 31 17 30 31 1 18 1 18 19 32 19 32 33 34 35 33 34 35 33 34 35 21 36 21 36 21 37 21 37 2 19 2 19 2 18 2 18 11.2576 127.7498 -109.6878 9.0291 133.871 -106.4161 -28.6227 -146.5891 91.8107 33.5439 -86.4956 153.6727 175.9048 0.3737 -102.8004 17.0939 136.0052 71.7927 -168.313 -49.4017 -0.3413 178.9432 -175.452 3.8326 -0.2992 179.3275 0.1458 -179.0973 0.1048 -179.5152 -54.8462 -173.8598 66.5409 60.8542 -58.1595 -177.7588 -177.2342 63.7522 -55.8471 -48.1919 132.2891 -166.2565 14.2245 73.9102 -105.6088 -25.5478 93.3466 -141.9082 -146.2122 -27.3178 97.4274 88.3379 -152.7677 -28.0225 -51.9775 -175.6579 70.0322 64.7058 -58.9746 -173.2845 -170.0849 66.2347 -48.0752 178.5837 56.8532 -59.3253 -59.0745 179.195 63.0165 57.1187 -64.6117 179.2098 -1.1346 179.1522 178.3912 -1.3221 -179.1401 0.5524 1.3086 -178.9989 -179.3927 -59.4773 60.4071 -58.4293 61.4861 -178.6295 57.8806 177.796 -62.3196 -179.3414 0.6766 0.3887 -179.5933 -0.3529 179.6191 179.9593 -0.0687 -179.6048 0.6284 0.3771 -179.3897 179.588 -0.6468 -0.3841 179.381 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00091 0.00207 0.00263 0.00304 0.00363 0.00384 0.00728 0.00777 0.01056 0.01281 0.01745 0.01800 0.02139 0.02305 0.02412 0.02532 0.02700 0.03021 0.03500 0.03664 0.03670 0.03797 0.03815 0.03904 0.04028 0.04251 0.04568 0.04592 0.04697 0.05010 0.05108 0.05306 0.05786 0.05921 0.06940 0.07255 0.07378 0.07727 0.08325 0.08584 0.09210 0.09765 0.10487 0.10587 0.10773 0.11332 0.11568 0.11612 0.11764 0.12154 0.12272 0.12416 0.13881 0.15159 0.15617 0.15907 0.16048 0.16155 0.17635 0.18329 0.19234 0.19775 0.20232 0.20248 0.21204 0.22311 0.23077 0.23328 0.23981 0.24625 0.25094 0.25605 0.25861 0.26192 0.27542 0.28680 0.29376 0.29445 0.30626 0.31252 0.32201 0.32573 0.32624 0.32907 0.32995 0.33166 0.33260 0.33720 0.34089 0.34162 0.34342 0.34655 0.34933 0.35093 0.35995 0.36242 0.36469 0.36919 0.37010 0.37276 0.38031 0.38881 0.41289 0.42636 0.45128 0.45783 0.46344 0.50328 0.50945 0.52637 0.60141 Angle between quadratic step and forces= 72.09 degrees. 1 2 0.00151542 0.00000092 0.00000050 0.00000006 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 A63 A64 A65 A66 A67 A68 A69 A70 A71 A72 A73 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 D91 D92 D93 D94 D95 D96 D97 D98 D99 D100 D101 D102 D103 D104 D105 3.32838 3.31554 2.68445 2.72866 2.66525 2.70054 2.56856 2.73596 2.55637 2.49727 2.49549 2.57728 2.90991 2.90590 2.89541 2.88377 2.07056 2.07048 2.05833 2.89778 2.07458 2.06968 2.05723 2.05847 2.64755 2.64211 2.89302 2.06506 2.06954 2.63251 2.62700 2.04520 2.06577 2.06830 2.06881 2.62548 2.04294 2.62623 2.04463 2.03703 2.03948 1.91407 1.86513 2.12074 1.91142 2.24789 1.78839 1.79233 1.85873 1.91944 1.92798 1.88070 1.94190 1.93314 1.79606 1.92370 1.87304 2.03238 1.91062 1.91893 1.80201 1.92780 1.88244 1.95678 1.97663 1.91398 2.00887 1.88239 1.88478 1.92619 1.90237 1.85251 1.95006 1.87956 1.91225 1.90560 1.90645 1.90948 2.16367 2.07309 2.04640 1.95763 1.89565 1.92648 1.91897 1.90693 1.85540 2.13402 2.02557 2.12359 2.13378 2.06075 2.08864 1.94114 1.93792 1.94344 1.87971 1.88070 1.87806 2.07850 2.09849 2.10620 2.07192 2.10996 2.10130 1.92498 2.13867 2.21946 2.07929 2.09199 2.11190 2.00763 2.12356 2.15197 0.19648 2.22966 -1.91441 0.15759 2.33649 -1.85731 -0.49956 -2.55846 1.60240 0.58545 -1.50963 2.68209 3.07012 0.00652 -1.79421 0.29834 2.37374 1.25302 -2.93762 -0.86222 -0.00596 3.12315 -3.06221 0.06689 -0.00522 3.12986 0.00254 -3.12584 0.00183 -3.13313 -0.95725 -3.03443 1.16136 1.06211 -1.01507 -3.10248 -3.09332 1.11269 -0.97472 -0.84111 2.30888 -2.90172 0.24826 1.28998 -1.84322 -0.44589 1.62920 -2.47677 -2.55188 -0.47679 1.70043 1.54179 -2.66630 -0.48908 -0.90718 -3.06581 1.22229 1.12933 -1.02930 -3.02438 -2.96854 1.15601 -0.83907 3.11687 0.99228 -1.03542 -1.03104 3.12754 1.09985 0.99691 -1.12769 3.12780 -0.01980 3.12679 3.11351 -0.02307 -3.12659 0.00964 0.02284 -3.12412 -3.13099 -1.03807 1.05430 -1.01978 1.07313 -3.11767 1.01021 3.10313 -1.08768 -3.13010 0.01181 0.00678 -3.13449 -0.00616 3.13494 3.14088 -0.00120 -3.13469 0.01097 0.00658 -3.13094 3.13440 -0.01129 -0.00670 3.13079 0.00000 0.00001 0.00000 -0.00000 0.00003 0.00000 -0.00002 0.00003 -0.00001 0.00002 0.00002 -0.00003 -0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00003 -0.00002 -0.00001 0.00004 0.00002 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 -0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00002 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00002 0.00001 -0.00001 -0.00000 0.00001 -0.00004 0.00002 0.00002 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 -0.00002 -0.00000 -0.00003 -0.00001 0.00002 -0.00001 0.00004 0.00001 -0.00004 -0.00000 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 -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 0.00001 0.00005 -0.00001 -0.00006 0.00016 0.00002 -0.00013 0.00009 -0.00001 0.00008 0.00001 -0.00009 -0.00001 -0.00007 -0.00001 0.00003 -0.00000 -0.00004 -0.00001 0.00003 -0.00004 -0.00000 -0.00002 -0.00003 -0.00000 -0.00003 -0.00001 0.00000 -0.00000 -0.00003 0.00001 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00000 -0.00003 -0.00001 0.00001 0.00000 0.00006 0.00012 0.00025 -0.00001 -0.00017 0.00008 0.00006 0.00010 0.00007 -0.00019 -0.00011 -0.00003 0.00016 -0.00003 -0.00014 0.00009 0.00006 -0.00004 0.00006 -0.00003 -0.00001 -0.00005 0.00003 -0.00011 0.00017 -0.00005 0.00002 -0.00003 0.00002 -0.00000 0.00006 -0.00013 0.00003 -0.00011 -0.00000 0.00003 0.00018 -0.00009 0.00005 0.00004 -0.00002 -0.00003 -0.00002 0.00006 -0.00002 0.00003 0.00000 0.00001 -0.00001 -0.00003 -0.00004 0.00007 -0.00002 -0.00002 -0.00002 0.00002 0.00003 0.00001 -0.00003 0.00005 -0.00002 -0.00002 0.00004 -0.00002 -0.00003 -0.00011 0.00014 -0.00004 -0.00001 0.00005 -0.00010 0.00000 0.00010 -0.00155 -0.00159 -0.00146 0.00133 0.00132 0.00136 0.00110 0.00102 0.00091 -0.00027 -0.00027 -0.00044 0.00084 -0.00007 0.00050 0.00044 0.00062 0.00161 0.00155 0.00173 -0.00025 -0.00022 -0.00127 -0.00124 0.00038 -0.00006 0.00044 0.00041 -0.00052 -0.00008 0.00021 0.00026 0.00002 0.00030 0.00035 0.00011 0.00029 0.00034 0.00010 -0.00007 -0.00018 -0.00005 -0.00016 0.00000 -0.00011 -0.00065 -0.00067 -0.00051 -0.00049 -0.00051 -0.00035 -0.00058 -0.00060 -0.00044 -0.00024 -0.00024 -0.00030 -0.00034 -0.00034 -0.00040 -0.00029 -0.00030 -0.00035 -0.00048 -0.00052 -0.00053 -0.00048 -0.00052 -0.00052 -0.00040 -0.00044 -0.00045 0.00012 -0.00000 0.00023 0.00011 -0.00000 0.00001 -0.00010 -0.00009 0.00020 0.00021 0.00020 0.00020 0.00020 0.00019 0.00025 0.00026 0.00024 -0.00014 -0.00010 -0.00003 0.00001 0.00002 0.00004 0.00000 0.00003 -0.00005 -0.00007 -0.00009 -0.00011 0.00006 0.00007 0.00003 0.00005 0.00001 0.00005 -0.00001 -0.00006 0.00016 0.00002 -0.00013 0.00009 -0.00001 0.00008 0.00001 -0.00009 -0.00001 -0.00007 -0.00001 0.00003 -0.00000 -0.00004 -0.00001 0.00003 -0.00004 -0.00000 -0.00002 -0.00003 -0.00000 -0.00003 -0.00001 0.00000 -0.00000 -0.00003 0.00001 -0.00001 -0.00002 -0.00001 -0.00002 -0.00001 -0.00000 -0.00003 -0.00001 0.00001 0.00000 0.00005 0.00012 0.00025 -0.00001 -0.00017 0.00008 0.00006 0.00010 0.00007 -0.00019 -0.00011 -0.00003 0.00016 -0.00003 -0.00014 0.00009 0.00006 -0.00004 0.00006 -0.00003 -0.00001 -0.00005 0.00003 -0.00011 0.00017 -0.00005 0.00002 -0.00003 0.00002 -0.00000 0.00006 -0.00013 0.00003 -0.00011 -0.00000 0.00003 0.00018 -0.00009 0.00005 0.00004 -0.00002 -0.00003 -0.00002 0.00006 -0.00002 0.00003 0.00000 0.00001 -0.00001 -0.00003 -0.00004 0.00007 -0.00002 -0.00002 -0.00002 0.00002 0.00003 0.00001 -0.00003 0.00005 -0.00002 -0.00002 0.00004 -0.00002 -0.00003 -0.00011 0.00013 -0.00004 -0.00001 0.00005 -0.00010 0.00000 0.00010 -0.00155 -0.00159 -0.00146 0.00133 0.00132 0.00136 0.00110 0.00102 0.00091 -0.00027 -0.00027 -0.00044 0.00084 -0.00007 0.00050 0.00044 0.00062 0.00161 0.00155 0.00173 -0.00025 -0.00022 -0.00127 -0.00124 0.00038 -0.00006 0.00044 0.00041 -0.00052 -0.00008 0.00021 0.00026 0.00002 0.00030 0.00035 0.00011 0.00029 0.00034 0.00010 -0.00007 -0.00018 -0.00005 -0.00016 0.00000 -0.00011 -0.00065 -0.00067 -0.00051 -0.00049 -0.00051 -0.00035 -0.00058 -0.00060 -0.00044 -0.00024 -0.00024 -0.00030 -0.00034 -0.00034 -0.00040 -0.00029 -0.00030 -0.00035 -0.00048 -0.00052 -0.00053 -0.00048 -0.00052 -0.00052 -0.00040 -0.00044 -0.00045 0.00012 -0.00000 0.00023 0.00011 -0.00000 0.00001 -0.00010 -0.00009 0.00020 0.00021 0.00020 0.00020 0.00020 0.00019 0.00025 0.00026 0.00024 -0.00014 -0.00010 -0.00003 0.00001 0.00002 0.00004 0.00000 0.00003 -0.00005 -0.00007 -0.00009 -0.00011 0.00006 0.00007 0.00003 0.00005 3.32839 3.31559 2.68444 2.72860 2.66541 2.70056 2.56843 2.73606 2.55636 2.49736 2.49550 2.57719 2.90991 2.90583 2.89540 2.88380 2.07056 2.07044 2.05832 2.89781 2.07454 2.06967 2.05721 2.05844 2.64755 2.64208 2.89302 2.06506 2.06954 2.63248 2.62701 2.04519 2.06575 2.06829 2.06879 2.62547 2.04294 2.62619 2.04463 2.03704 2.03948 1.91413 1.86525 2.12099 1.91141 2.24772 1.78847 1.79239 1.85883 1.91951 1.92780 1.88059 1.94187 1.93330 1.79603 1.92356 1.87312 2.03244 1.91058 1.91899 1.80198 1.92778 1.88239 1.95680 1.97652 1.91415 2.00882 1.88241 1.88475 1.92621 1.90236 1.85257 1.94993 1.87959 1.91215 1.90559 1.90648 1.90966 2.16358 2.07314 2.04644 1.95761 1.89563 1.92646 1.91902 1.90692 1.85543 2.13402 2.02558 2.12358 2.13376 2.06071 2.08871 1.94112 1.93790 1.94342 1.87973 1.88073 1.87808 2.07847 2.09853 2.10618 2.07190 2.11000 2.10128 1.92495 2.13856 2.21960 2.07925 2.09198 2.11195 2.00753 2.12357 2.15207 0.19493 2.22806 -1.91588 0.15892 2.33781 -1.85595 -0.49846 -2.55744 1.60331 0.58518 -1.50991 2.68165 3.07095 0.00645 -1.79371 0.29878 2.37435 1.25463 -2.93606 -0.86049 -0.00620 3.12293 -3.06348 0.06565 -0.00485 3.12979 0.00299 -3.12543 0.00130 -3.13321 -0.95704 -3.03417 1.16137 1.06241 -1.01472 -3.10237 -3.09303 1.11303 -0.97462 -0.84118 2.30870 -2.90178 0.24810 1.28998 -1.84333 -0.44654 1.62854 -2.47728 -2.55237 -0.47730 1.70008 1.54121 -2.66690 -0.48953 -0.90742 -3.06605 1.22199 1.12899 -1.02964 -3.02478 -2.96883 1.15572 -0.83942 3.11639 0.99176 -1.03595 -1.03152 3.12703 1.09932 0.99651 -1.12813 3.12735 -0.01968 3.12679 3.11374 -0.02297 -3.12659 0.00965 0.02274 -3.12421 -3.13079 -1.03787 1.05450 -1.01959 1.07334 -3.11748 1.01046 3.10338 -1.08744 -3.13024 0.01171 0.00676 -3.13448 -0.00614 3.13499 3.14089 -0.00117 -3.13475 0.01090 0.00649 -3.13105 3.13446 -0.01122 -0.00667 3.13084 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000039 0.000010 0.006252 0.001515 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -1.333134e-07 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2175.9756459188 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0488291600 0.000000 5.381188 0.000000 3.007570 6.742835 0.000000 4.585735 6.693942 2.268272 0.000000 4.488551 8.239889 2.843106 2.851920 0.000000 5.786892 9.067375 3.951910 3.259372 1.359226 0.000000 6.006593 10.284934 4.073659 4.434538 2.193856 2.265269 0.000000 3.207873 6.095157 1.420551 1.410388 2.473488 3.401047 4.307736 0.000000 4.325178 7.469275 1.443947 2.322357 3.585396 4.376645 4.341719 2.341733 0.000000 5.013405 7.082267 2.328281 1.429063 3.814919 4.269552 4.912926 2.280531 1.532185 0.000000 4.616757 7.558302 2.436576 3.661843 4.999017 5.876335 5.583388 3.534833 1.526026 2.599808 0.000000 3.482106 6.819208 2.425637 2.384328 1.447809 2.449619 3.602879 1.539860 3.502885 3.554483 4.806482 0.000000 2.774897 4.558691 2.431077 2.434508 3.822170 4.731169 5.781327 1.537736 3.349383 3.118442 4.096676 2.532679 0.000000 4.175468 6.349872 2.933417 4.106416 5.749448 6.731227 6.728367 3.765713 2.581759 3.218012 1.533437 5.175475 3.713769 0.000000 1.761301 4.011596 2.999399 3.750328 4.583632 5.680433 6.459483 2.595194 4.123453 4.271220 4.537348 3.272932 1.401023 3.864382 0.000000 4.043936 4.012925 3.577510 2.741843 4.736543 5.365877 6.743031 2.527765 4.132669 3.393338 4.832058 3.481920 1.398145 4.314248 2.389869 0.000000 5.171560 7.019024 4.355052 5.619173 7.181442 8.188222 7.975511 5.279440 3.930089 4.626059 2.542916 6.649923 5.125178 1.530922 5.045238 5.656118 0.000000 2.682974 2.717009 4.325953 4.858616 5.909855 6.942490 7.839814 3.873729 5.316567 5.316154 5.527495 4.538201 2.439888 4.546934 1.393066 2.773380 5.487324 0.000000 4.541682 2.727238 4.750536 4.121274 6.030174 6.683617 8.076720 3.829351 5.324095 4.632166 5.775380 4.693298 2.441724 4.941148 2.782597 1.390149 6.061947 2.418824 0.000000 4.688307 9.074303 2.968903 3.688965 1.352773 2.214957 1.320556 3.228971 3.574844 4.261105 4.809966 2.525933 4.625848 5.766299 5.188673 5.707827 7.055445 6.570196 6.991606 0.000000 3.987174 1.754508 5.035289 4.991073 6.515121 7.363636 8.544461 4.340807 5.810068 5.448837 6.062636 5.111982 2.804252 5.027066 2.398508 2.391682 5.967462 1.389344 1.389740 7.346524 0.000000 6.503485 10.215417 4.490718 4.150376 2.090313 1.321499 1.363840 4.311607 4.715385 4.858556 6.131657 3.483042 5.761050 7.206409 6.639212 6.498453 8.569305 7.966705 7.847213 2.096518 8.485882 0.000000 4.982506 8.504509 2.056065 2.805157 3.379576 4.025392 3.585719 2.954470 1.095694 2.160396 2.161050 3.741029 4.219546 3.508691 5.002920 5.039912 4.697079 6.271514 6.301131 3.080282 6.816413 4.070795 0.000000 5.129116 6.414667 2.884127 2.082551 4.728549 5.232712 5.975086 2.763973 2.193633 1.095649 2.705494 4.209220 3.052843 2.832009 4.134797 3.021815 4.160599 4.948680 4.054567 5.237808 4.898651 5.915547 3.049218 0.000000 6.050701 8.021928 3.227919 2.045285 4.196160 4.347022 4.957975 3.181743 2.202660 1.089223 3.193922 4.226486 4.131454 4.037434 5.338325 4.260786 5.311988 6.373361 5.491102 4.585290 6.421821 4.773819 2.379142 1.786051 0.000000 5.700937 8.247204 3.365840 4.128226 5.685601 6.388205 6.073068 4.324174 2.135690 2.823654 1.097822 5.615739 4.925440 2.174441 5.497461 5.459699 2.790086 6.421900 6.389645 5.486263 6.807073 6.552600 2.507331 2.849150 3.080932 0.000000 4.628489 8.194428 2.746354 4.412467 5.174836 6.143805 5.460069 4.074060 2.135574 3.505853 1.095227 5.132133 4.720367 2.155080 4.950519 5.645971 2.752631 5.986787 6.580613 4.712154 6.712198 6.231558 2.391908 3.760102 4.046814 1.753072 0.000000 4.190523 6.703196 3.353710 2.611957 2.058934 2.513194 4.224671 2.158226 4.292820 3.988086 5.635232 1.088639 2.789893 5.911349 3.654279 3.352781 7.416118 4.727417 4.496063 3.350503 5.066463 3.765547 4.565117 4.551733 4.564496 6.372605 6.079352 0.000000 2.775379 6.648052 2.725846 3.323569 2.083009 3.236200 4.006786 2.159336 4.047818 4.361520 5.153406 1.089296 2.727024 5.370215 2.973175 3.867254 6.753415 4.206166 4.887409 2.798740 5.011702 4.124368 4.328922 4.920913 5.139945 6.085487 5.324217 1.777550 0.000000 3.127592 5.760543 2.571354 4.069301 5.379285 6.493232 6.532827 3.369629 2.795682 3.536544 2.148323 4.653585 3.128442 1.092783 2.973842 3.954898 2.163205 3.690161 4.529343 5.430682 4.397068 7.047352 3.742900 3.264335 4.507663 3.064326 2.497458 5.419615 4.658776 0.000000 4.569849 5.805271 3.262790 3.809048 5.922324 6.780180 7.106900 3.708368 2.842648 2.913533 2.172645 5.224108 3.449348 1.095153 3.816294 3.698598 2.156180 4.344480 4.242502 6.163496 4.522540 7.390036 3.867457 2.193587 3.718867 2.535682 3.067785 5.788682 5.546855 1.750883 0.000000 4.905188 4.870102 3.824560 2.320537 4.653466 5.030587 6.580121 2.676771 4.106351 3.023235 4.970260 3.595809 2.133136 4.689651 3.367319 1.082272 6.076740 3.855625 2.143206 5.703712 3.374714 6.165609 4.909017 2.705100 3.680601 5.433468 5.872382 3.319512 4.241912 4.539354 3.981031 0.000000 5.281812 6.419641 4.984823 6.164666 7.823838 8.866011 8.807267 5.746058 4.750630 5.290540 3.496396 7.122662 5.298434 2.179479 5.035027 5.706021 1.093157 5.195447 5.857802 7.803808 5.599494 9.356328 5.616056 4.674949 6.050387 3.796852 3.757144 7.818590 7.148486 2.506950 2.494201 6.240579 0.000000 5.182404 7.690209 4.552421 6.150542 7.319593 8.398177 7.908991 5.667006 4.228829 5.210241 2.801445 6.899611 5.642010 2.178185 5.420177 6.370157 1.094497 5.944529 6.833080 7.006167 6.621399 8.659582 4.834070 4.930449 5.887407 3.142349 2.561621 7.768129 6.892217 2.524139 3.073182 6.842110 1.766469 0.000000 6.171845 7.735153 4.975483 5.975977 7.724823 8.616682 8.384006 5.874167 4.253441 4.800136 2.813596 7.296718 5.829609 2.182343 5.933087 6.216133 1.094767 6.382704 6.651181 7.585577 6.714613 8.934016 4.922467 4.288683 5.294903 2.614581 3.116902 8.029607 7.524267 3.080540 2.525187 6.483286 1.767328 1.766708 0.000000 2.787560 2.859357 5.016261 5.833153 6.626234 7.737437 8.473062 4.744165 6.064558 6.240942 6.125947 5.293478 3.415651 5.065286 2.150822 3.854444 5.793883 1.081078 3.399513 7.169387 2.152113 8.708801 6.993169 5.886397 7.316842 7.061888 6.445566 5.549879 4.783037 4.123043 5.008596 4.936672 5.387363 6.121966 6.764360 0.000000 5.623327 2.871703 5.660642 4.723854 6.819995 7.326042 8.863538 4.683539 6.080116 5.188000 6.522419 5.531969 3.420785 5.685222 3.864562 2.155844 6.735713 3.398406 1.081974 7.849033 2.150271 8.518553 7.044384 4.516174 5.916865 7.013081 7.405211 5.201094 5.823102 5.409589 4.853165 2.481422 6.482931 7.593126 7.210634 4.292679 0.000000 4.068774 8.863780 2.690475 4.061658 2.135545 3.239015 2.150764 3.320239 3.447098 4.450513 4.423863 2.848922 4.562596 5.305402 4.870602 5.798366 6.479457 6.243378 6.999296 1.077952 7.172710 3.154864 3.052774 5.328149 4.930999 5.213464 4.137916 3.844604 2.803780 4.878756 5.861120 5.968136 7.212590 6.304043 7.091166 6.721396 7.937489 0.000000 7.577232 11.129109 5.489407 4.927213 3.130863 2.099713 2.154304 5.271238 5.565180 5.582755 6.970832 4.470218 6.710980 8.110846 7.655170 7.337183 9.458835 8.963157 8.688481 3.137566 9.410185 1.079248 4.848461 6.641965 5.319989 7.277550 7.089549 4.608376 5.147914 8.025711 8.251751 6.896016 10.276614 9.566085 9.748227 9.734407 9.286482 4.167789 0.000000 C15H17Cl2N3O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3654683 0.1569357 0.1369070 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= 602 RedAO= T EigKep= 2.33D-06 NBF= 602 NBsUse= 599 1.00D-06 EigRej= 7.38D-07 NBFU= 599 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= 616 616 616 616 616 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1817.24413136422 -1817.24413136 1 1.811394748829e+03 -8.627669488652e+03 2.823103791699e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 6606028800 LenX= 6605233232 LenY= 6604843232 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Fock matrices will be formed incrementally for 20 cycles. Using compressed storage, NAtomX= 39. Will process 40 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111 Direct CPHF calculation. Differentiating once with respect to electric field. with respect to dipole field. Differentiating once with respect to nuclear coordinates. Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum. Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum. NewPWx=T KeepS1=F KeepF1=F KeepIn=T MapXYZ=F SortEE=F KeepMc=T. 12057 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 6606028800 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= 810000000 NMat= 117 IRICut= 292 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 117 NMatS0= 117 NMatT0= 0 NMatD0= 117 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 79.47% of shell-pairs survive, threshold= 0.20 IRatSp=79. There are 120 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 117 vectors produced by pass 0 Test12= 4.54D-14 1.00D-09 XBig12= 2.55D+02 5.87D+00. AX will form 117 AO Fock derivatives at one time. 117 vectors produced by pass 1 Test12= 4.54D-14 1.00D-09 XBig12= 5.25D+01 9.92D-01. 117 vectors produced by pass 2 Test12= 4.54D-14 1.00D-09 XBig12= 5.36D-01 5.75D-02. 117 vectors produced by pass 3 Test12= 4.54D-14 1.00D-09 XBig12= 3.12D-03 3.86D-03. 117 vectors produced by pass 4 Test12= 4.54D-14 1.00D-09 XBig12= 8.47D-06 2.30D-04. 107 vectors produced by pass 5 Test12= 4.54D-14 1.00D-09 XBig12= 1.46D-08 1.03D-05. 49 vectors produced by pass 6 Test12= 4.54D-14 1.00D-09 XBig12= 2.22D-11 3.71D-07. 3 vectors produced by pass 7 Test12= 4.54D-14 1.00D-09 XBig12= 3.16D-14 1.94D-08. InvSVY: IOpt=1 It= 1 EMax= 1.95D-14 Solved reduced A of dimension 744 with 120 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 222.49 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 284.402 10.766 184.053 0.936 12.654 199.011 387.301 24.207 260.148 2.869 30.734 346.253 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT127765.800S Fri Sep 3 20:32:12 2021 -1.09491527e+00 7.86197687e-01 -5.38366378e-01 2.84401708e+02 1.07662397e+01 1.84053448e+02 9.36251044e-01 1.26539600e+01 1.99010662e+02 -4.2257 -0.0023 -0.0018 -0.0016 1.3647 4.0141 16.5547 27.5435 40.9014 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 16.4967 27.5391 40.8997 48.9596 53.1268 64.3260 85.7752 95.8792 135.7954 147.0734 168.2187 173.7149 202.5782 209.0656 251.4082 253.9999 261.7390 286.2136 322.0764 341.8734 362.8628 373.6298 394.1487 404.2094 464.1344 499.9663 531.4230 573.0565 606.5724 631.9665 657.5080 678.5890 686.4906 693.1248 723.7208 751.7548 752.3555 802.9458 818.5699 842.5643 851.5894 860.2453 866.0692 886.8624 892.7774 896.7476 919.4419 971.8427 982.0165 990.7841 1001.5097 1022.0777 1029.1850 1042.3589 1059.0282 1065.9973 1080.7528 1109.2973 1121.5444 1136.3395 1158.2628 1166.6418 1169.6201 1189.0173 1216.2162 1222.9501 1227.4394 1249.8817 1274.9774 1287.3290 1306.0458 1307.0638 1320.7183 1333.5651 1350.3881 1358.5138 1373.9045 1390.4607 1396.8901 1405.7432 1407.9221 1416.3378 1422.4924 1451.8782 1474.6531 1481.9555 1494.7503 1498.1117 1502.3684 1510.8510 1516.8941 1540.1052 1591.1274 1622.1314 3005.8280 3016.0988 3017.9481 3024.9055 3031.2902 3049.3817 3065.6181 3086.7176 3091.0766 3095.6779 3117.9040 3153.1483 3194.8104 3208.6888 3213.6627 3245.7745 3262.5090 4.3618 8.9953 7.5410 4.1706 4.3123 1.8434 5.2229 3.7142 5.6700 5.2875 6.5691 7.0235 7.0008 3.4214 3.2028 1.6687 2.5857 6.1159 3.5919 5.6758 4.4370 4.9012 2.1607 9.4340 3.6777 7.3213 6.0739 4.5290 2.9984 3.8568 4.3258 7.0633 4.1465 3.7106 5.3930 5.2025 1.1506 6.0451 7.4084 1.8670 1.8361 1.4708 1.5780 1.4157 1.9884 1.4088 2.2855 6.0671 4.0740 1.4043 2.5440 3.4371 2.1351 3.1881 3.5438 2.7464 3.4532 2.6972 3.1182 2.2779 2.0368 1.9167 1.7002 2.6035 1.9668 3.4116 1.7011 1.2974 1.2677 1.4308 3.1558 6.4103 1.3920 1.2254 1.7089 1.4465 1.4210 2.0687 1.7809 1.5884 2.5379 1.3262 1.3449 2.7309 1.2936 1.0825 2.3091 1.0691 1.0396 1.0912 1.0961 4.0480 7.5858 6.2535 1.0660 1.0416 1.0683 1.0773 1.0707 1.0910 1.0988 1.1013 1.1000 1.0590 1.0989 1.1073 1.0882 1.0948 1.0929 1.0972 1.0998 0.0007 0.0040 0.0074 0.0059 0.0072 0.0045 0.0226 0.0201 0.0616 0.0674 0.1095 0.1249 0.1693 0.0881 0.1193 0.0634 0.1044 0.2952 0.2195 0.3908 0.3442 0.4031 0.1978 0.9082 0.4668 1.0783 1.0106 0.8763 0.6500 0.9075 1.1018 1.9163 1.1513 1.0503 1.6643 1.7323 0.3837 2.2963 2.9247 0.7809 0.7845 0.6413 0.6974 0.6560 0.9337 0.6675 1.1384 3.3762 2.3148 0.8122 1.5034 2.1155 1.3324 2.0409 2.3417 1.8388 2.3765 1.9555 2.3109 1.7330 1.6099 1.5370 1.3704 2.1687 1.7141 3.0063 1.5100 1.1942 1.2141 1.3971 3.1716 6.4524 1.4306 1.2840 1.8360 1.5729 1.5803 2.3565 2.0474 1.8494 2.9640 1.5675 1.6033 3.3917 1.6574 1.4007 3.0397 1.4137 1.3825 1.4676 1.4859 5.6571 11.3152 9.6949 5.6745 5.5827 5.7328 5.8078 5.7965 5.9773 6.0840 6.1822 6.1922 5.9796 6.2942 6.4866 6.5443 6.6413 6.6502 6.8102 6.8970 0.3314 0.4427 1.0305 0.4562 1.2717 0.0696 0.0095 0.0722 1.7441 0.2834 0.3620 0.1823 0.5880 0.5767 0.3599 0.4331 0.8720 5.3104 1.0088 0.5856 1.0766 0.4978 4.9892 2.5355 5.6812 27.8167 6.6899 4.9563 0.5563 5.1499 4.1401 3.7060 25.2028 16.6333 2.2187 8.7982 2.1650 49.7257 19.5523 16.0222 26.1480 16.9099 3.8006 12.6670 17.9155 6.2883 16.6202 0.9140 51.3528 2.2018 37.6750 28.4471 14.0640 25.9094 69.5836 43.2456 17.8809 47.1442 53.3427 4.1101 31.2832 18.4166 3.1282 86.0043 3.5339 57.9078 62.6163 1.4788 2.8238 5.3012 34.0687 8.7441 0.2523 1.7636 0.1605 1.4039 2.0755 5.3354 9.5218 5.7780 21.5698 1.1868 2.7399 30.6080 4.6484 3.7329 62.7288 1.7321 7.2792 8.9012 6.4876 69.5568 21.8046 71.7665 2.0427 19.1322 69.6503 24.1769 30.6288 26.9942 2.8524 34.5441 45.7771 10.1804 21.5215 0.6732 0.1477 1.3135 0.6856 3.7534 1.0762 -0.02 0.00 -0.02 -0.02 -0.12 0.02 -0.05 -0.01 -0.03 -0.05 -0.01 -0.03 -0.03 0.02 -0.00 -0.01 0.08 -0.02 -0.06 0.05 0.06 -0.04 -0.01 -0.03 0.04 -0.04 -0.02 -0.02 -0.00 -0.02 0.16 0.01 0.00 -0.03 -0.01 -0.03 -0.04 -0.02 -0.02 0.15 0.15 -0.02 -0.03 -0.02 -0.01 -0.04 -0.04 -0.01 0.28 0.17 0.08 -0.03 -0.05 -0.00 -0.03 -0.07 0.00 -0.06 0.00 0.05 -0.03 -0.07 0.01 -0.02 0.10 0.02 0.05 -0.13 -0.03 -0.02 0.02 0.02 -0.03 -0.02 -0.04 0.23 0.01 0.03 0.18 -0.06 0.02 -0.00 -0.00 -0.05 -0.04 -0.03 -0.04 0.07 0.11 -0.08 0.13 0.26 -0.05 -0.04 -0.03 -0.01 0.27 0.27 0.05 0.30 0.06 0.11 0.36 0.21 0.14 -0.02 -0.05 0.00 -0.04 -0.08 0.01 -0.09 -0.04 0.07 -0.01 0.15 0.02 0.10 -0.20 -0.01 -0.04 0.21 0.07 -0.02 -0.07 -0.07 -0.03 -0.07 -0.07 0.02 0.03 0.02 0.11 0.21 -0.01 -0.07 0.14 0.22 -0.01 -0.08 -0.06 -0.01 -0.07 -0.07 -0.01 -0.07 -0.07 -0.01 -0.07 -0.07 0.03 -0.06 -0.08 -0.00 -0.07 -0.03 -0.01 -0.07 -0.07 0.03 -0.09 -0.00 -0.05 0.01 -0.02 -0.01 -0.07 -0.08 0.02 -0.02 0.03 -0.07 0.09 0.01 -0.09 -0.00 0.15 -0.03 0.08 0.03 0.06 0.27 0.12 -0.01 -0.08 -0.06 -0.01 -0.06 -0.07 -0.01 -0.08 -0.07 -0.01 -0.07 -0.07 -0.01 -0.07 -0.07 0.12 -0.04 -0.14 -0.01 -0.15 -0.11 -0.01 -0.07 -0.07 -0.01 -0.08 -0.07 -0.08 0.03 -0.04 -0.01 -0.07 -0.08 -0.01 -0.06 -0.08 -0.01 -0.08 -0.09 0.05 -0.03 0.05 -0.10 0.16 0.01 -0.18 -0.13 0.20 0.11 0.40 0.13 0.09 0.07 -0.07 0.03 -0.12 0.11 0.05 0.04 -0.09 -0.02 0.10 -0.12 -0.04 -0.02 -0.03 0.03 -0.04 0.05 -0.03 -0.21 0.28 -0.00 0.07 -0.11 -0.01 0.08 -0.07 -0.03 0.10 -0.08 -0.05 0.05 -0.03 -0.04 0.02 -0.16 -0.00 0.09 -0.08 -0.04 -0.01 0.04 0.04 0.06 -0.05 -0.04 0.10 -0.06 -0.08 -0.04 0.07 0.05 0.00 0.01 -0.04 0.05 -0.00 -0.08 -0.12 0.11 0.01 -0.01 0.03 0.04 -0.16 0.23 -0.01 0.11 -0.10 -0.04 0.11 -0.06 -0.05 0.12 -0.09 -0.11 0.07 -0.03 -0.02 0.05 -0.04 -0.02 0.08 -0.25 -0.12 -0.06 -0.20 0.03 -0.02 0.05 -0.07 -0.03 0.06 -0.08 0.13 -0.08 -0.07 -0.09 0.12 -0.05 -0.02 0.05 -0.15 -0.03 0.06 0.09 -0.04 0.03 -0.07 0.05 0.01 -0.13 -0.13 0.08 0.09 -0.20 0.33 -0.01 0.13 -0.04 -0.01 0.08 -0.03 0.01 -0.04 -0.04 -0.01 -0.05 -0.03 0.03 0.00 0.01 0.05 -0.00 0.03 0.01 0.05 0.01 0.01 -0.05 -0.02 -0.05 -0.03 -0.07 -0.11 -0.05 -0.04 -0.03 -0.04 -0.01 0.03 -0.02 -0.01 0.01 -0.06 -0.01 -0.03 -0.04 0.05 0.00 0.04 -0.02 0.02 -0.15 0.01 0.01 -0.09 0.30 -0.00 0.08 -0.03 0.02 -0.13 0.00 0.00 0.04 -0.00 0.01 0.00 -0.02 0.04 0.03 0.03 -0.04 -0.03 -0.12 -0.15 -0.11 0.03 -0.17 -0.02 -0.09 -0.06 -0.02 -0.00 0.01 -0.07 -0.02 0.05 -0.04 0.01 0.02 -0.01 -0.01 0.00 -0.15 -0.04 -0.08 0.11 0.02 0.03 -0.23 0.02 0.02 -0.09 0.33 0.06 -0.26 0.35 0.00 0.03 0.42 -0.01 0.17 -0.04 0.03 -0.19 0.02 -0.02 0.05 -0.02 0.05 0.04 0.05 -0.02 0.12 -0.01 0.01 -0.03 -0.01 0.05 -0.04 0.02 0.01 -0.01 0.01 -0.02 -0.05 -0.00 -0.05 0.18 -0.18 -0.03 -0.06 0.05 0.01 -0.01 0.01 0.04 -0.02 0.04 0.06 -0.01 0.03 0.02 -0.03 0.03 -0.02 -0.04 -0.01 0.00 0.02 0.01 0.03 -0.09 0.11 -0.01 0.06 -0.00 0.02 -0.03 0.01 -0.03 -0.06 -0.08 -0.01 0.05 -0.01 0.02 -0.04 0.01 -0.01 -0.19 0.13 0.01 -0.00 -0.00 -0.06 0.16 -0.13 0.04 -0.01 0.05 0.07 0.03 0.01 0.08 -0.02 0.04 -0.05 -0.06 -0.02 0.05 0.03 -0.01 -0.04 -0.03 -0.01 -0.02 -0.03 -0.00 0.11 0.02 0.24 0.00 -0.26 0.19 0.02 -0.06 0.02 -0.02 -0.11 0.01 0.01 0.12 -0.17 -0.13 -0.18 -0.22 -0.01 0.09 -0.02 0.03 -0.09 0.01 0.02 -0.37 0.27 -0.08 0.31 -0.24 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.02 0.00 -0.02 0.01 0.02 -0.01 0.03 -0.04 0.04 -0.00 0.04 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.02 -0.05 0.00 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.02 -0.00 -0.02 -0.01 0.04 -0.02 0.21 -0.00 -0.01 -0.01 -0.00 -0.03 -0.01 0.03 0.05 -0.05 -0.00 -0.00 -0.01 -0.00 -0.02 -0.01 -0.01 0.06 -0.04 -0.01 -0.01 -0.01 0.02 -0.02 0.04 -0.01 -0.03 -0.04 -0.07 -0.01 0.03 -0.08 0.02 -0.03 -0.12 -0.05 -0.12 0.14 0.10 -0.11 0.03 0.00 -0.02 0.00 -0.01 -0.02 0.18 0.16 0.43 -0.07 -0.28 0.37 -0.00 -0.03 -0.00 0.06 0.02 0.15 0.18 0.33 -0.23 -0.14 -0.15 -0.29 -0.01 0.01 -0.01 -0.00 -0.03 -0.00 -0.03 0.10 -0.08 0.03 -0.05 0.08 0.00 0.03 -0.02 0.01 -0.09 0.03 0.06 -0.02 -0.02 0.03 -0.05 -0.00 -0.06 -0.03 0.06 -0.04 -0.06 0.09 -0.12 0.19 -0.09 -0.00 -0.01 -0.01 0.11 -0.04 -0.01 0.16 -0.05 -0.02 0.07 -0.05 -0.05 -0.06 -0.03 0.03 -0.02 0.08 -0.02 0.08 -0.14 0.03 -0.01 0.04 -0.02 -0.04 0.17 -0.04 0.01 -0.20 0.10 -0.00 0.01 -0.00 -0.03 0.17 -0.03 -0.11 0.12 -0.06 -0.01 0.05 -0.01 -0.08 0.07 0.00 0.10 -0.04 0.04 0.20 0.02 -0.10 0.23 -0.12 0.02 -0.00 -0.07 -0.09 0.10 0.01 -0.08 -0.05 -0.03 0.03 -0.09 -0.01 0.02 0.18 -0.17 0.03 0.06 -0.16 0.05 -0.05 0.22 -0.05 0.02 -0.28 0.16 0.04 -0.20 0.09 -0.09 -0.16 0.12 0.01 -0.05 0.01 -0.05 0.22 -0.04 -0.13 0.18 -0.11 -0.07 0.08 0.01 0.02 0.06 -0.05 -0.01 0.03 0.05 -0.03 -0.08 0.04 -0.00 0.06 -0.03 -0.01 -0.02 -0.06 0.06 -0.07 0.03 -0.06 0.09 -0.02 -0.01 -0.03 -0.04 0.03 -0.02 0.14 0.09 0.08 0.07 0.03 -0.04 0.20 -0.00 -0.06 -0.12 -0.01 -0.04 -0.04 0.00 -0.01 -0.02 0.01 0.01 -0.03 -0.01 -0.10 -0.02 -0.03 -0.00 -0.12 0.01 0.03 -0.01 -0.02 -0.10 0.01 -0.08 0.06 -0.08 -0.01 -0.02 0.01 0.03 0.00 0.05 0.03 -0.04 0.20 0.13 0.15 0.02 0.16 0.10 0.14 0.15 0.04 0.32 -0.09 -0.16 0.31 0.04 -0.02 -0.20 -0.04 -0.15 -0.14 -0.13 -0.01 -0.06 0.13 -0.00 -0.09 -0.02 -0.13 -0.02 -0.05 0.02 -0.29 -0.18 -0.00 -0.05 0.10 -0.01 -0.09 0.01 0.09 -0.01 -0.03 -0.15 0.03 -0.14 0.10 -0.15 0.06 -0.00 0.11 0.13 -0.00 -0.04 0.09 -0.01 -0.01 0.04 -0.04 0.02 0.08 -0.03 0.03 -0.07 -0.17 0.11 -0.08 -0.08 0.05 -0.15 0.09 -0.06 0.04 -0.04 0.01 -0.11 -0.00 -0.01 -0.17 -0.04 0.03 -0.11 -0.01 0.05 -0.07 -0.10 0.04 0.05 0.01 -0.03 -0.12 0.09 0.02 0.07 0.02 -0.02 0.06 0.03 -0.03 0.01 0.16 -0.02 0.08 0.03 -0.01 0.06 0.05 -0.03 -0.12 -0.06 0.03 0.08 0.04 -0.02 -0.12 0.07 -0.05 -0.11 0.05 -0.11 -0.27 -0.20 0.15 -0.30 0.08 -0.06 -0.06 0.01 0.09 -0.10 -0.07 0.07 -0.10 -0.07 0.01 -0.14 -0.10 0.01 -0.19 0.13 0.03 -0.13 0.12 0.02 0.07 0.02 -0.03 -0.00 0.28 -0.04 0.03 0.15 -0.02 0.10 0.12 -0.04 0.08 0.02 -0.01 0.05 0.06 -0.02 -0.13 -0.09 0.05 -0.13 0.17 -0.10 -0.07 0.08 0.02 -0.02 -0.09 -0.01 0.03 -0.11 0.02 -0.03 -0.07 -0.00 0.10 0.01 -0.06 0.15 0.01 -0.03 0.09 0.01 0.02 0.02 -0.10 0.01 -0.06 -0.08 0.00 -0.16 -0.07 0.02 -0.03 -0.10 0.10 0.10 -0.07 -0.04 -0.01 -0.02 0.03 -0.05 -0.01 0.00 -0.03 0.02 0.01 -0.04 0.16 -0.00 0.03 0.04 -0.06 -0.04 0.05 -0.00 -0.05 0.26 -0.03 0.08 0.00 -0.03 -0.04 0.12 -0.01 0.14 0.01 0.02 -0.06 -0.07 -0.09 -0.22 -0.14 0.13 -0.26 -0.00 -0.05 0.05 -0.03 0.19 -0.06 -0.22 0.16 0.14 -0.07 -0.05 0.13 -0.11 -0.03 -0.15 0.01 -0.01 -0.01 0.02 -0.03 -0.05 0.19 -0.01 0.02 0.14 -0.16 -0.02 0.02 -0.03 0.17 0.01 -0.05 -0.03 0.01 0.00 -0.06 0.37 -0.05 0.05 -0.00 -0.04 0.16 0.02 0.05 -0.01 -0.12 0.15 0.04 -0.07 -0.10 0.12 0.01 -0.02 -0.09 0.03 -0.03 -0.02 -0.04 -0.08 0.05 -0.03 -0.03 -0.08 0.03 0.02 0.00 0.04 0.01 0.04 0.02 -0.06 -0.08 0.03 -0.03 0.04 0.01 -0.02 -0.02 -0.04 -0.13 0.00 0.09 0.10 0.04 -0.02 -0.04 -0.03 0.20 0.08 0.05 -0.05 0.11 -0.01 -0.05 -0.03 -0.05 0.32 0.02 0.07 -0.09 0.08 -0.10 -0.01 -0.06 0.01 0.12 0.03 0.01 0.01 0.03 0.04 0.02 -0.14 -0.09 0.05 0.03 -0.12 0.01 -0.08 0.04 0.03 -0.00 0.03 -0.02 -0.01 -0.03 0.05 -0.26 -0.04 -0.18 -0.16 0.04 -0.04 -0.07 0.06 -0.01 -0.06 0.09 -0.17 0.15 -0.01 -0.09 -0.07 -0.05 -0.06 -0.01 -0.01 -0.02 -0.00 -0.10 0.42 -0.01 0.12 -0.29 0.10 -0.17 -0.01 -0.10 0.06 0.04 0.09 0.03 -0.13 -0.11 -0.03 -0.09 0.13 -0.09 -0.01 0.02 0.10 -0.04 0.04 0.03 0.06 0.07 -0.03 0.04 0.03 0.09 -0.03 -0.01 0.00 -0.03 0.00 -0.03 -0.02 0.05 0.08 -0.03 0.03 -0.04 -0.01 0.01 0.03 0.04 0.12 -0.02 -0.01 -0.10 -0.04 0.02 0.03 -0.03 0.17 -0.13 -0.03 -0.07 -0.08 0.00 0.04 0.03 -0.05 0.37 -0.13 -0.05 -0.03 -0.06 0.11 0.02 0.05 -0.06 0.17 -0.07 0.01 -0.02 -0.03 -0.03 -0.02 0.13 0.09 -0.06 -0.03 0.12 -0.02 0.08 -0.04 -0.03 -0.01 -0.03 0.02 -0.01 0.04 -0.04 0.23 0.05 0.15 0.14 -0.04 0.03 0.05 -0.06 0.01 0.04 -0.03 -0.20 -0.07 0.01 0.06 0.06 0.04 0.04 0.01 -0.00 0.02 0.01 -0.05 0.50 -0.13 -0.05 -0.20 -0.02 0.18 0.02 0.08 -0.03 -0.04 -0.08 0.25 0.02 -0.09 -0.05 -0.04 -0.16 -0.04 0.01 0.01 -0.12 -0.01 0.02 -0.03 0.14 0.03 -0.10 0.07 0.02 0.05 -0.05 0.01 -0.07 0.01 0.03 0.02 -0.04 -0.01 -0.14 -0.01 0.02 0.11 -0.03 0.13 -0.02 0.08 0.10 -0.06 -0.00 0.03 0.10 -0.06 0.02 -0.03 0.01 0.04 -0.06 0.00 0.03 -0.02 -0.11 -0.06 -0.04 0.02 0.08 -0.05 0.01 0.07 0.06 0.07 0.03 -0.05 0.02 0.07 -0.05 -0.04 0.00 0.03 -0.14 -0.09 -0.17 -0.00 0.13 -0.22 -0.01 -0.06 0.18 0.07 0.25 0.08 -0.20 0.21 0.01 0.01 0.19 0.02 0.16 0.12 0.06 -0.08 -0.01 0.20 -0.09 -0.02 -0.07 -0.00 0.03 -0.04 -0.17 -0.25 -0.21 -0.10 0.03 0.08 -0.08 -0.01 -0.03 0.02 0.09 -0.07 0.01 0.08 0.13 0.11 0.04 -0.09 -0.13 -0.02 0.10 0.03 -0.01 -0.02 -0.03 -0.09 -0.09 -0.02 0.04 -0.01 -0.04 0.04 0.01 -0.00 -0.08 0.05 -0.00 -0.04 -0.01 -0.01 0.02 -0.03 -0.03 0.03 -0.03 -0.02 0.07 0.18 -0.04 0.03 -0.11 0.00 -0.12 0.01 -0.05 -0.05 -0.02 -0.03 0.04 -0.10 0.04 -0.01 -0.01 0.00 0.05 -0.02 -0.00 0.04 0.03 0.09 0.06 -0.02 0.03 0.06 -0.02 0.03 0.05 -0.03 -0.01 -0.04 -0.02 0.03 0.05 0.04 -0.00 0.02 -0.05 0.04 0.22 0.28 0.06 -0.18 0.36 -0.13 0.17 -0.17 -0.13 -0.26 -0.08 0.19 -0.21 0.02 -0.00 -0.12 0.05 -0.14 -0.05 -0.07 0.06 0.02 -0.20 0.06 0.03 -0.03 0.00 0.04 0.05 0.16 0.26 0.23 0.08 -0.02 -0.06 0.06 0.01 -0.02 0.04 0.06 -0.03 0.05 0.05 -0.07 -0.02 -0.06 0.07 -0.00 0.06 -0.02 0.01 0.05 0.11 0.01 0.02 -0.08 -0.03 -0.03 -0.04 -0.04 -0.03 -0.07 0.14 -0.07 -0.09 0.07 -0.03 -0.02 -0.06 0.03 -0.05 -0.02 -0.03 -0.03 -0.05 -0.00 0.04 -0.04 -0.03 -0.05 -0.08 0.02 -0.04 0.04 0.01 0.01 -0.02 -0.01 -0.05 -0.07 0.08 0.04 0.00 0.01 0.04 -0.00 -0.02 0.07 0.01 -0.01 0.05 0.01 -0.01 0.05 0.02 -0.04 -0.04 0.07 -0.03 0.08 0.02 -0.02 -0.05 -0.05 0.03 -0.04 -0.04 0.05 0.09 0.01 -0.12 0.12 -0.07 0.03 -0.11 -0.07 0.00 -0.02 -0.06 -0.01 -0.01 -0.01 0.07 0.01 0.10 0.03 -0.05 0.01 0.15 -0.08 -0.12 0.12 0.06 0.00 -0.01 0.01 0.23 -0.44 -0.23 -0.17 0.18 0.52 0.03 0.14 0.02 0.01 -0.03 0.03 0.03 -0.03 -0.02 0.11 -0.05 -0.05 -0.13 0.07 -0.01 0.01 0.02 0.06 0.00 0.01 -0.09 -0.00 0.01 -0.02 -0.01 0.01 -0.03 0.05 -0.04 -0.03 0.02 -0.02 -0.01 -0.02 0.02 -0.03 -0.02 0.00 -0.02 -0.03 0.02 -0.04 -0.01 0.02 0.04 -0.01 0.03 -0.01 0.01 -0.00 0.00 -0.03 -0.00 0.02 0.01 -0.08 0.02 -0.01 0.00 0.02 -0.01 -0.02 -0.01 -0.03 0.01 0.02 0.01 -0.01 0.02 0.03 -0.03 -0.02 0.02 -0.02 0.04 0.03 -0.02 -0.02 -0.02 0.01 -0.01 -0.09 0.03 -0.05 -0.02 0.05 -0.06 0.01 0.01 0.13 0.02 0.10 -0.02 -0.09 0.09 -0.01 -0.00 0.01 0.01 0.01 0.01 -0.01 -0.05 -0.15 0.07 0.08 -0.13 0.04 -0.01 -0.00 0.06 -0.19 0.53 0.37 0.16 -0.24 -0.49 -0.10 -0.19 0.01 0.01 -0.02 0.01 0.05 -0.03 -0.03 0.03 -0.03 -0.01 -0.05 0.03 -0.01 -0.01 0.02 -0.03 0.01 -0.02 0.15 -0.05 -0.06 -0.02 -0.01 -0.07 -0.01 0.04 0.05 -0.04 0.02 0.03 0.03 -0.00 -0.01 0.02 0.01 -0.05 0.01 0.01 -0.04 0.08 0.00 -0.07 -0.09 -0.09 0.11 -0.01 0.03 0.02 -0.00 0.06 -0.01 -0.11 -0.04 -0.01 -0.00 0.02 0.00 -0.02 0.02 0.01 0.08 0.05 -0.00 -0.00 -0.01 0.02 -0.01 -0.05 0.03 0.04 0.03 0.03 -0.01 -0.04 0.03 -0.02 -0.01 -0.01 0.00 0.13 -0.05 0.13 0.06 -0.17 0.17 -0.05 -0.01 -0.01 0.08 0.30 -0.18 -0.29 0.23 0.02 -0.01 0.09 -0.03 0.11 0.03 -0.22 -0.03 -0.04 -0.09 0.05 -0.05 -0.03 0.02 0.00 0.11 0.16 0.34 0.40 0.14 -0.18 -0.09 -0.07 -0.16 0.01 -0.02 0.02 -0.00 -0.08 0.03 0.08 0.05 0.04 -0.05 -0.03 -0.03 0.01 -0.02 -0.09 -0.04 0.03 0.05 0.23 -0.02 0.15 0.10 -0.04 0.17 -0.05 0.14 -0.17 -0.01 0.08 -0.09 -0.04 -0.04 0.06 0.01 0.04 0.13 0.03 -0.01 0.05 -0.10 -0.07 0.13 -0.05 -0.04 -0.07 -0.03 -0.01 -0.00 -0.02 0.16 -0.01 -0.04 -0.06 -0.06 -0.05 0.06 -0.04 0.02 0.08 -0.01 0.09 -0.03 -0.02 -0.03 -0.06 -0.04 0.04 -0.11 -0.02 -0.08 0.08 -0.10 -0.01 -0.11 -0.03 0.00 -0.04 0.06 0.03 0.07 -0.06 -0.19 -0.19 0.29 -0.26 0.00 -0.00 -0.09 -0.12 -0.17 -0.06 0.11 -0.12 -0.05 0.05 -0.07 0.10 -0.11 0.02 -0.04 -0.07 -0.06 -0.08 -0.02 -0.06 0.03 0.09 -0.01 0.10 0.09 0.07 0.21 -0.07 -0.05 0.12 -0.05 -0.03 -0.04 -0.09 -0.04 0.08 -0.19 -0.02 -0.13 0.12 -0.15 0.05 -0.11 0.16 0.00 0.00 -0.02 0.03 0.00 0.01 -0.03 -0.00 0.06 -0.16 0.12 -0.03 0.02 -0.04 0.10 -0.01 -0.03 0.07 0.04 0.02 -0.04 -0.02 0.03 0.00 0.01 0.00 0.08 -0.07 0.13 0.08 -0.07 -0.04 -0.09 0.01 0.01 -0.05 -0.01 -0.02 0.01 -0.05 -0.15 -0.08 -0.01 -0.02 0.00 0.01 -0.01 -0.01 0.19 -0.09 -0.04 -0.01 0.01 -0.02 0.01 0.01 -0.03 0.07 -0.02 0.06 0.01 0.02 -0.02 -0.01 0.01 -0.03 0.01 -0.00 0.10 -0.07 0.23 0.16 -0.10 0.16 0.06 -0.17 -0.15 -0.24 -0.11 0.20 -0.17 0.08 0.06 -0.15 -0.09 -0.10 -0.10 -0.03 -0.14 -0.06 -0.10 -0.11 -0.06 0.02 -0.00 0.00 0.18 0.15 0.05 0.34 -0.18 -0.07 0.29 -0.13 -0.04 -0.02 0.01 -0.03 0.01 0.03 -0.03 0.12 -0.02 0.09 -0.04 0.03 -0.10 0.00 0.01 0.07 -0.08 -0.01 -0.04 -0.22 0.12 -0.05 0.34 0.05 0.04 0.00 -0.04 -0.05 0.03 -0.02 -0.04 -0.03 0.00 0.01 0.05 0.05 -0.05 -0.04 0.04 -0.04 -0.04 0.04 -0.02 -0.04 -0.04 0.04 -0.00 0.05 0.00 0.03 0.02 -0.05 -0.02 -0.17 -0.01 0.05 0.03 -0.01 -0.04 0.01 -0.00 0.17 -0.11 -0.04 0.04 0.01 0.04 -0.04 -0.01 0.07 -0.04 -0.04 -0.03 -0.03 -0.01 0.07 0.02 0.01 0.01 -0.04 -0.04 -0.02 -0.16 -0.21 0.10 -0.18 0.22 -0.10 -0.07 0.09 0.16 -0.11 -0.15 0.12 -0.10 0.03 0.07 0.02 0.14 0.03 -0.04 -0.14 0.00 -0.01 -0.15 -0.02 -0.08 0.01 -0.04 0.17 0.12 0.00 0.29 -0.15 -0.08 0.30 -0.18 -0.08 0.09 0.02 0.07 -0.07 -0.03 0.08 -0.09 -0.06 -0.04 0.04 0.03 0.04 -0.01 0.02 0.07 -0.05 -0.03 -0.03 0.10 -0.13 0.02 0.17 0.03 -0.07 -0.05 0.13 0.06 -0.14 0.08 0.04 0.02 -0.04 -0.01 0.06 -0.07 -0.10 0.02 -0.04 0.08 -0.02 0.05 0.07 0.02 0.02 -0.08 0.00 -0.05 -0.11 0.05 -0.08 -0.05 0.02 0.05 -0.03 0.08 -0.04 -0.01 -0.03 -0.09 -0.01 -0.05 0.02 0.01 0.05 0.01 0.03 -0.06 0.05 0.04 0.03 0.10 0.03 -0.03 0.07 0.05 -0.09 -0.04 -0.01 0.02 -0.01 0.06 -0.11 -0.04 0.24 -0.15 0.23 0.00 -0.01 -0.16 -0.26 0.06 0.24 -0.19 0.23 0.01 -0.27 -0.15 -0.21 -0.20 0.04 0.04 -0.03 -0.01 0.06 -0.02 -0.07 -0.14 -0.04 -0.04 -0.06 0.01 -0.08 0.02 0.03 -0.10 0.07 0.04 0.11 0.02 0.06 -0.10 0.09 0.05 0.12 0.15 0.04 -0.14 -0.13 -0.05 -0.01 -0.01 0.03 0.06 0.04 -0.03 -0.14 -0.05 0.01 0.02 -0.05 -0.02 0.03 0.01 0.08 0.01 0.00 0.06 0.08 0.01 -0.04 -0.05 -0.03 -0.04 -0.05 -0.08 0.04 -0.02 -0.05 0.01 0.03 -0.03 -0.02 -0.00 -0.06 -0.09 -0.06 0.18 -0.07 0.02 0.04 0.00 -0.01 0.16 -0.02 -0.09 0.25 -0.07 -0.04 0.01 0.01 0.02 0.03 0.03 -0.02 -0.17 0.04 0.10 0.01 0.05 0.05 -0.21 0.08 0.02 0.01 -0.03 -0.05 -0.15 0.07 -0.02 -0.07 0.01 -0.01 -0.00 0.03 0.05 -0.09 -0.06 0.06 0.01 -0.04 0.17 0.04 -0.30 -0.12 -0.30 -0.17 0.02 0.03 0.00 0.02 0.03 0.01 -0.13 0.39 -0.11 -0.04 -0.07 -0.01 -0.09 0.02 0.02 -0.09 0.04 0.02 0.02 0.08 0.03 -0.05 -0.29 0.09 0.17 0.01 0.08 -0.02 0.01 -0.09 -0.02 -0.01 0.01 0.03 0.00 -0.03 0.04 -0.08 0.00 -0.03 0.03 -0.07 0.01 -0.03 -0.05 0.05 -0.02 -0.03 -0.03 0.01 0.02 0.00 -0.04 -0.07 0.01 -0.03 0.07 -0.02 0.06 0.05 0.00 0.00 -0.04 -0.00 0.04 0.13 -0.00 0.01 -0.06 0.00 0.02 -0.02 0.04 0.01 -0.03 -0.06 0.03 -0.04 -0.01 0.01 0.00 0.04 0.02 0.04 -0.04 -0.03 0.04 -0.04 -0.03 -0.03 0.01 -0.02 0.07 0.03 0.01 0.02 0.01 -0.02 0.08 -0.04 0.09 0.13 -0.06 0.13 0.03 -0.02 -0.11 -0.15 0.01 0.15 -0.10 -0.18 -0.20 0.54 0.13 0.51 0.26 0.01 0.01 -0.02 -0.01 0.02 -0.02 -0.10 0.06 -0.07 -0.01 -0.02 0.01 -0.01 -0.00 0.01 -0.03 0.02 0.01 0.07 0.06 0.05 -0.10 -0.04 0.08 -0.09 -0.05 -0.04 0.06 0.03 0.06 0.18 0.06 0.26 -0.19 -0.01 0.06 -0.02 -0.05 0.00 -0.06 0.00 -0.05 0.01 -0.01 -0.01 0.02 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.03 -0.04 -0.01 -0.04 0.04 -0.02 0.02 0.02 0.01 -0.01 -0.02 -0.00 0.01 0.05 0.00 0.04 -0.00 0.00 0.02 -0.01 0.04 0.04 0.04 0.05 0.08 -0.07 -0.02 0.01 0.00 0.02 -0.02 -0.26 0.05 -0.09 -0.29 -0.00 -0.01 -0.01 -0.01 -0.11 -0.30 0.01 0.01 0.01 -0.01 -0.05 0.06 -0.01 0.07 0.04 -0.01 0.04 0.03 0.01 -0.08 -0.09 0.02 0.07 -0.06 -0.06 -0.10 0.22 0.05 0.20 0.10 0.01 0.01 -0.01 -0.00 0.02 -0.01 0.17 0.17 -0.01 -0.02 -0.03 0.00 -0.03 0.01 0.01 -0.04 0.02 0.01 -0.13 -0.01 -0.35 0.20 -0.11 -0.37 -0.02 -0.02 -0.00 0.02 0.01 0.01 0.02 -0.01 0.03 0.03 0.00 -0.00 -0.01 -0.02 0.01 0.00 -0.02 -0.00 0.01 -0.01 0.01 0.04 -0.01 0.01 0.03 0.01 -0.01 -0.04 0.02 -0.02 -0.00 -0.02 0.02 -0.00 -0.02 0.01 0.00 -0.02 -0.00 -0.03 0.01 -0.00 -0.07 0.17 -0.06 0.00 0.00 -0.00 -0.05 0.28 -0.04 -0.02 -0.22 -0.00 -0.01 0.00 0.00 0.02 -0.19 0.03 -0.06 0.10 -0.05 0.03 -0.01 0.01 -0.01 0.07 -0.02 0.03 0.01 -0.00 -0.00 -0.03 0.02 -0.01 -0.02 0.02 -0.00 -0.00 0.01 0.01 -0.03 -0.02 0.01 0.00 -0.01 -0.03 -0.00 0.01 -0.02 0.03 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.04 -0.57 0.06 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.02 0.01 0.01 0.07 -0.62 0.09 -0.10 0.11 -0.03 0.04 -0.02 0.02 0.03 0.02 -0.01 0.05 0.04 0.11 0.17 0.01 -0.01 0.15 0.05 0.02 0.06 -0.00 0.13 0.01 -0.01 0.00 0.04 -0.01 0.00 0.03 0.01 -0.01 -0.08 0.05 0.05 0.04 0.10 -0.05 0.01 -0.03 0.01 -0.01 0.06 0.02 -0.04 0.01 -0.01 -0.19 -0.10 -0.11 -0.00 -0.02 0.00 -0.05 -0.20 0.03 -0.28 -0.06 -0.17 0.02 -0.01 -0.01 -0.08 0.04 -0.02 -0.27 -0.10 -0.14 0.03 -0.02 0.00 -0.05 0.07 -0.04 0.04 0.01 -0.01 0.04 0.16 -0.10 -0.01 -0.09 0.02 -0.03 -0.10 -0.05 -0.04 0.15 0.09 -0.04 -0.01 0.06 -0.03 0.09 -0.14 -0.03 -0.14 -0.04 0.02 -0.03 0.00 0.01 -0.02 -0.00 -0.29 0.01 -0.18 0.02 0.04 -0.00 0.04 -0.02 -0.02 0.06 -0.03 -0.02 -0.16 0.16 -0.08 -0.42 -0.16 -0.04 0.03 -0.02 0.01 0.04 0.03 -0.01 -0.04 0.00 0.05 -0.10 -0.02 -0.04 0.02 0.10 0.10 -0.21 -0.05 0.10 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.01 -0.00 0.00 0.00 0.05 0.10 -0.02 0.03 -0.02 -0.02 -0.10 0.01 -0.00 0.03 0.02 0.00 -0.00 0.01 0.12 0.01 -0.19 0.00 -0.01 0.01 0.27 -0.00 -0.16 -0.01 -0.04 -0.17 0.01 -0.01 -0.00 0.27 0.03 -0.02 -0.04 -0.00 0.05 -0.01 -0.00 -0.00 0.04 0.05 0.10 0.00 -0.00 0.00 -0.01 0.05 -0.05 0.07 0.02 -0.13 0.09 -0.28 0.06 0.01 0.10 0.09 -0.02 -0.06 0.06 0.01 0.13 -0.17 0.01 -0.21 -0.02 0.01 -0.01 0.01 0.02 -0.02 0.00 -0.15 -0.10 -0.25 0.01 0.01 -0.00 0.02 -0.01 -0.01 0.03 -0.02 -0.01 0.46 0.05 0.09 -0.15 -0.04 0.12 -0.02 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.02 -0.01 -0.01 -0.02 0.01 -0.04 -0.01 0.02 0.02 -0.01 -0.03 -0.00 -0.00 -0.00 0.03 -0.02 0.01 0.02 0.02 -0.01 -0.03 0.05 -0.03 0.01 -0.08 0.03 -0.01 -0.02 0.00 0.01 -0.08 -0.01 -0.05 0.06 -0.03 -0.02 0.20 -0.02 -0.01 0.01 0.00 0.04 -0.23 0.04 0.03 0.08 0.01 -0.03 0.02 0.01 0.01 -0.08 0.02 0.06 -0.15 0.04 0.02 -0.02 0.01 -0.04 0.37 -0.06 0.02 0.01 -0.00 0.01 -0.10 0.03 -0.02 -0.02 0.05 -0.03 0.04 -0.01 0.04 -0.13 -0.05 0.03 -0.06 -0.03 -0.07 0.04 0.00 -0.05 0.10 -0.02 -0.04 0.02 0.00 -0.03 0.03 0.01 0.07 -0.10 0.05 -0.03 -0.02 -0.00 -0.05 0.04 0.02 -0.05 0.04 0.01 0.04 -0.28 0.05 0.16 -0.68 0.12 0.04 -0.05 0.04 0.02 0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 0.09 -0.06 -0.02 -0.04 -0.00 -0.00 0.01 -0.01 0.01 -0.02 0.01 -0.01 0.01 -0.01 -0.00 0.04 -0.01 0.29 -0.05 -0.00 0.03 -0.04 0.09 0.02 -0.13 -0.03 -0.01 0.08 -0.03 0.01 -0.03 -0.00 -0.10 -0.01 0.01 0.01 0.01 -0.01 -0.00 -0.02 -0.00 -0.07 0.08 0.03 0.01 0.02 -0.01 -0.01 0.02 -0.01 0.00 -0.03 0.01 0.01 -0.05 0.01 0.00 0.00 -0.00 0.29 -0.06 0.09 -0.11 0.04 0.59 -0.33 -0.03 -0.24 -0.01 -0.05 0.04 -0.07 -0.13 0.01 -0.03 0.12 -0.09 -0.02 0.02 -0.05 -0.16 0.04 0.04 -0.21 0.03 0.05 -0.01 0.02 -0.01 -0.07 0.09 0.02 -0.08 0.08 0.03 -0.07 0.08 0.03 0.00 0.08 -0.01 -0.02 0.12 -0.02 0.01 -0.07 0.05 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.05 -0.04 0.13 0.05 0.09 0.03 -0.02 0.06 -0.06 0.03 -0.09 0.06 -0.01 0.06 -0.04 -0.02 0.12 0.03 -0.12 -0.14 -0.01 -0.02 -0.01 -0.09 0.03 -0.19 -0.04 -0.05 0.21 -0.08 -0.00 -0.03 -0.01 0.03 0.03 0.00 0.00 -0.03 -0.00 0.02 -0.06 -0.02 -0.02 0.03 0.01 -0.01 0.05 0.01 -0.00 0.06 -0.01 0.02 -0.09 0.06 0.02 -0.09 0.02 0.00 0.02 -0.01 -0.11 -0.17 -0.12 0.05 -0.02 -0.33 0.17 0.05 0.10 0.11 -0.26 -0.08 0.12 -0.20 -0.08 -0.13 0.22 -0.07 -0.04 0.24 -0.08 -0.03 0.05 0.01 -0.01 0.04 0.02 0.01 0.01 -0.03 -0.02 -0.11 -0.02 -0.10 0.05 0.03 -0.11 0.06 0.02 -0.02 0.21 -0.01 -0.05 0.24 -0.03 0.05 -0.26 0.20 0.01 0.04 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.02 -0.04 -0.01 -0.14 -0.06 -0.03 0.19 -0.16 0.01 -0.14 0.12 -0.04 0.08 -0.08 -0.02 -0.04 -0.06 -0.02 0.10 0.08 0.01 -0.09 0.07 -0.04 0.20 0.06 0.02 0.07 -0.06 0.00 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 0.01 0.01 0.01 0.02 0.04 -0.05 -0.02 0.00 -0.00 -0.00 0.02 0.00 0.00 0.02 -0.15 0.13 0.01 0.00 -0.01 -0.02 0.02 -0.02 -0.02 0.15 0.12 -0.03 -0.14 0.15 -0.07 -0.06 0.01 -0.10 0.19 0.03 -0.06 0.26 0.05 0.05 0.03 -0.01 0.09 0.10 -0.03 0.06 -0.07 -0.04 0.11 -0.02 -0.05 0.02 0.01 0.03 0.04 0.06 0.01 0.11 -0.06 -0.04 0.11 -0.09 -0.04 -0.00 -0.01 -0.01 0.04 -0.01 -0.01 0.09 -0.49 0.42 -0.02 0.02 -0.02 -0.02 -0.01 -0.05 0.06 0.01 -0.02 -0.03 0.04 0.05 -0.01 0.03 -0.01 0.02 0.04 -0.03 -0.04 -0.02 0.01 -0.06 0.01 -0.02 0.10 -0.01 0.02 -0.01 -0.04 -0.01 -0.00 0.02 -0.02 0.01 -0.06 -0.02 0.13 0.00 0.01 0.12 0.01 0.15 0.00 0.00 -0.00 0.16 0.08 0.04 -0.26 0.05 0.36 -0.01 0.01 0.00 0.19 -0.04 -0.25 -0.24 -0.07 -0.04 -0.03 -0.02 0.03 -0.13 0.01 -0.10 -0.05 -0.02 0.00 -0.01 -0.05 -0.03 0.02 0.03 -0.09 0.06 0.02 0.03 0.04 -0.06 -0.01 0.02 -0.09 -0.01 0.14 0.01 0.00 0.14 -0.01 0.01 -0.02 0.03 0.01 -0.03 -0.00 0.02 -0.28 0.06 0.36 -0.01 -0.03 -0.00 -0.03 0.01 0.01 -0.03 0.03 0.01 0.22 -0.14 -0.23 0.01 -0.13 -0.15 -0.06 -0.09 0.07 -0.04 -0.04 0.03 -0.00 -0.00 -0.02 0.00 0.00 -0.00 0.02 0.00 0.04 0.00 -0.14 -0.09 -0.00 -0.13 0.10 0.04 0.03 -0.03 0.06 -0.07 0.07 -0.02 0.07 -0.08 -0.05 0.01 0.11 -0.00 -0.13 0.05 -0.02 0.09 0.05 -0.14 0.19 -0.09 0.01 0.07 0.03 0.02 -0.00 0.01 0.05 -0.08 0.04 -0.02 -0.05 0.10 0.02 -0.03 -0.01 0.04 0.05 -0.05 -0.02 0.05 -0.01 0.01 0.08 -0.09 0.00 -0.08 -0.01 0.03 0.05 -0.03 -0.05 0.06 0.10 -0.03 -0.18 0.08 -0.04 -0.02 0.05 -0.06 0.01 -0.03 0.00 0.19 0.00 -0.25 0.21 -0.08 -0.24 0.24 -0.12 -0.00 -0.05 -0.05 0.11 0.03 -0.05 -0.01 -0.07 0.12 0.02 0.01 -0.00 0.05 -0.02 -0.03 0.05 -0.06 -0.03 0.01 0.23 -0.09 0.02 0.18 -0.07 -0.02 0.33 -0.29 0.01 0.16 -0.12 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.03 -0.02 0.01 -0.08 0.07 -0.03 0.18 -0.15 -0.03 0.20 -0.16 -0.00 0.02 -0.01 -0.01 0.00 0.02 -0.00 -0.03 0.01 -0.00 0.02 0.01 -0.04 0.03 -0.02 -0.00 0.02 0.00 0.00 -0.00 0.00 0.01 -0.02 0.01 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.00 0.03 -0.08 0.06 0.00 -0.02 0.00 0.06 -0.20 0.17 -0.01 0.01 0.02 -0.01 -0.04 0.01 -0.01 -0.00 0.01 -0.02 0.00 -0.01 0.00 0.04 0.00 -0.08 0.03 -0.02 -0.07 0.04 -0.03 -0.00 -0.01 -0.01 0.02 0.01 -0.01 0.00 -0.02 0.02 0.00 0.00 -0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.06 -0.01 0.00 0.04 -0.01 0.08 -0.20 0.18 0.15 -0.62 0.52 -0.02 -0.00 -0.03 -0.02 -0.00 -0.01 -0.02 -0.05 -0.09 0.02 0.07 0.09 -0.08 0.07 -0.06 0.06 0.00 0.05 0.09 0.03 -0.01 -0.14 -0.03 -0.01 0.03 0.02 -0.06 0.00 0.08 -0.01 0.00 0.00 -0.02 -0.20 -0.23 0.08 -0.06 0.23 0.01 -0.01 -0.00 -0.01 0.12 -0.16 0.09 -0.01 -0.10 0.10 -0.00 0.01 0.00 0.11 0.09 -0.05 -0.02 0.10 -0.04 0.07 -0.02 -0.00 0.06 -0.12 0.01 0.07 0.02 0.00 0.03 -0.01 -0.02 -0.00 0.08 0.01 -0.01 -0.00 -0.05 0.02 0.05 0.03 -0.03 -0.05 0.01 -0.14 -0.27 0.12 -0.10 -0.19 0.12 0.03 0.03 0.03 -0.05 -0.04 0.03 0.10 -0.30 0.18 -0.00 0.01 0.01 0.00 -0.02 0.01 -0.00 0.02 0.02 0.06 0.42 -0.11 0.01 0.18 -0.08 0.18 -0.11 0.12 0.05 0.01 -0.03 0.02 0.01 0.03 0.04 0.01 0.00 -0.04 0.08 0.09 -0.03 -0.05 -0.13 0.07 0.02 -0.00 -0.06 -0.02 -0.01 -0.08 -0.02 0.00 0.13 0.00 0.02 -0.01 -0.02 0.03 -0.00 -0.01 -0.02 0.00 -0.01 -0.00 0.24 -0.05 0.04 0.02 0.29 -0.09 -0.00 -0.00 -0.00 -0.06 -0.21 -0.06 0.02 -0.08 -0.02 -0.00 0.00 0.00 -0.13 0.05 -0.01 -0.03 0.12 0.03 -0.05 0.02 0.03 -0.08 -0.13 0.02 -0.07 -0.02 -0.01 -0.01 -0.02 0.01 0.00 0.01 -0.02 0.01 0.09 0.02 0.03 -0.01 0.01 -0.01 -0.04 0.01 0.31 -0.04 0.00 0.25 -0.11 0.03 0.00 0.02 0.02 -0.02 -0.02 0.01 -0.01 -0.53 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.14 0.36 -0.04 -0.00 -0.01 0.05 -0.13 -0.01 0.00 -0.05 -0.01 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.00 0.01 0.02 0.00 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 -0.01 0.00 -0.03 0.01 -0.02 0.06 0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.02 0.07 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.03 -0.03 -0.00 -0.00 -0.04 0.00 -0.03 -0.03 -0.29 -0.19 -0.21 0.23 0.27 -0.16 0.02 0.01 -0.01 0.01 -0.04 0.01 -0.31 -0.28 -0.29 0.23 0.41 -0.22 -0.00 -0.01 -0.00 -0.02 0.03 -0.08 -0.06 0.24 -0.06 0.04 -0.18 -0.16 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.05 -0.06 -0.01 -0.01 0.02 -0.07 -0.16 0.00 0.03 0.13 0.11 -0.05 0.05 -0.05 -0.02 -0.04 -0.09 -0.02 0.00 -0.05 -0.02 -0.02 -0.04 -0.00 0.01 0.00 -0.01 0.07 -0.02 -0.01 0.00 0.26 0.16 -0.06 -0.15 0.07 0.05 0.02 0.02 -0.01 0.08 -0.00 0.21 -0.04 -0.00 -0.06 0.01 -0.01 -0.01 0.11 0.05 0.14 -0.04 0.02 -0.20 -0.05 0.01 0.04 0.23 -0.01 0.02 -0.07 -0.03 -0.01 -0.04 0.07 0.03 0.02 -0.02 0.03 0.03 -0.09 0.08 0.02 -0.06 -0.02 -0.01 0.01 -0.01 0.31 0.13 -0.03 0.26 0.10 -0.07 0.04 0.06 0.03 0.01 -0.04 0.02 0.22 -0.28 0.12 0.02 -0.07 0.00 -0.00 -0.04 0.01 -0.03 0.04 0.03 -0.05 0.08 0.04 -0.15 -0.28 -0.07 -0.20 0.13 -0.13 -0.04 -0.00 0.03 -0.03 -0.01 -0.05 -0.05 -0.01 -0.00 -0.01 0.12 0.36 0.06 -0.05 -0.26 -0.01 0.02 -0.02 -0.00 0.01 0.01 0.01 0.00 -0.00 -0.01 -0.01 0.02 0.10 -0.00 -0.02 0.00 0.01 -0.19 0.05 0.06 -0.01 -0.01 -0.12 0.04 -0.10 -0.04 0.06 -0.07 -0.05 0.02 0.05 0.05 0.21 -0.04 -0.03 -0.05 -0.04 0.02 0.02 0.07 0.03 0.15 -0.04 -0.07 -0.19 0.01 0.00 0.00 0.21 0.05 0.00 0.00 0.00 0.00 0.11 -0.16 -0.08 -0.05 -0.01 -0.06 -0.09 0.20 -0.23 -0.03 0.17 0.06 0.00 0.02 0.03 0.02 -0.18 0.10 0.05 -0.08 0.07 -0.06 -0.12 -0.06 -0.03 0.04 -0.04 0.13 0.21 0.03 -0.05 0.23 0.02 0.04 0.06 -0.03 0.09 -0.08 -0.05 -0.09 -0.03 0.06 -0.22 0.13 -0.14 0.02 -0.01 0.02 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.05 -0.07 0.00 -0.04 -0.06 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.00 0.01 0.03 0.03 -0.07 0.00 0.02 0.02 0.03 0.08 -0.05 -0.08 -0.02 0.01 -0.02 0.07 -0.02 0.05 -0.00 0.06 0.04 0.01 0.00 -0.00 0.02 0.00 -0.07 0.00 0.04 -0.02 -0.00 0.01 0.01 0.02 0.00 -0.10 -0.01 -0.01 0.00 -0.01 0.02 0.05 -0.01 0.00 -0.00 0.00 -0.08 0.15 0.04 0.01 0.01 0.09 0.03 0.17 0.14 0.01 -0.09 -0.01 -0.01 -0.12 -0.02 0.04 0.10 -0.11 0.01 -0.24 0.04 0.01 0.04 -0.01 0.01 0.09 0.01 -0.05 0.46 -0.08 0.04 -0.23 -0.08 -0.10 0.06 0.02 -0.08 0.00 -0.02 -0.01 -0.01 0.01 -0.12 0.62 -0.12 0.00 -0.07 0.05 0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.06 0.01 -0.00 0.04 0.07 0.03 -0.01 0.01 -0.02 0.00 0.00 -0.02 -0.00 -0.01 -0.02 -0.01 -0.03 0.05 -0.02 -0.00 -0.02 -0.03 -0.07 0.05 0.07 0.04 0.06 0.01 -0.05 -0.01 0.08 -0.02 -0.06 -0.03 -0.02 -0.00 -0.02 -0.01 0.02 -0.06 0.02 -0.04 0.02 -0.01 -0.00 0.00 -0.02 0.02 -0.09 0.04 -0.00 -0.01 0.03 -0.02 0.04 -0.01 -0.02 -0.01 -0.00 0.06 -0.15 -0.02 -0.01 -0.02 -0.09 -0.03 -0.17 -0.11 -0.02 0.02 -0.03 0.03 0.18 0.00 0.06 -0.09 0.10 0.08 0.17 -0.02 -0.01 0.02 0.04 0.02 -0.15 -0.01 -0.07 0.39 -0.07 -0.03 0.22 0.11 0.13 -0.14 -0.02 0.06 0.06 0.06 0.01 0.01 -0.01 -0.06 0.64 -0.09 -0.07 0.16 -0.13 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.02 -0.00 0.00 -0.00 -0.01 0.03 -0.03 -0.01 0.01 0.01 0.00 0.03 -0.03 -0.01 -0.02 -0.02 -0.01 0.01 -0.02 0.01 0.00 0.03 -0.02 -0.01 -0.04 -0.01 -0.02 -0.02 0.00 -0.00 -0.00 0.02 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.01 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.03 -0.13 0.11 -0.01 -0.00 -0.00 0.00 -0.01 0.01 -0.02 0.06 -0.01 0.01 0.01 0.05 0.01 0.02 0.03 0.04 0.08 0.06 -0.04 -0.15 0.02 -0.02 -0.07 0.05 0.02 0.06 0.00 0.04 -0.08 -0.06 -0.04 0.13 -0.00 -0.00 -0.01 0.00 0.01 -0.07 -0.09 -0.08 0.15 -0.01 0.01 -0.10 -0.08 0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.18 0.66 -0.58 -0.03 0.08 -0.09 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.05 0.01 -0.03 -0.04 -0.01 0.03 -0.02 0.01 -0.01 -0.02 0.00 0.02 -0.01 0.01 0.03 0.06 0.00 -0.02 0.04 -0.02 0.02 -0.05 0.03 -0.02 0.10 -0.02 0.01 0.09 0.00 -0.02 0.01 -0.02 -0.00 -0.04 0.00 0.01 -0.00 -0.01 0.01 -0.01 -0.02 0.01 -0.04 0.01 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.06 0.03 0.00 -0.01 0.00 0.01 -0.01 0.01 0.01 -0.05 -0.01 -0.02 -0.00 -0.07 0.00 0.07 -0.02 -0.11 -0.24 -0.16 0.11 0.30 -0.07 0.00 0.18 -0.16 -0.03 -0.28 0.04 -0.11 0.21 0.13 0.11 -0.28 0.00 0.01 -0.06 0.01 0.01 0.02 0.18 0.14 -0.34 0.03 -0.07 0.27 0.20 0.01 -0.00 0.00 -0.00 -0.12 0.02 -0.08 0.24 -0.24 0.00 0.08 -0.04 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.06 -0.01 -0.00 0.02 -0.00 0.00 -0.00 -0.00 0.02 -0.17 0.03 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.01 0.06 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.07 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.14 0.96 -0.15 -0.00 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.11 0.03 -0.02 0.01 0.04 -0.01 -0.01 -0.01 -0.02 0.02 0.04 0.02 -0.01 0.00 0.03 -0.03 -0.09 0.01 0.04 0.03 -0.01 -0.04 -0.01 -0.06 -0.09 0.07 -0.00 -0.09 -0.11 0.01 -0.00 0.00 0.05 0.05 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.05 -0.01 -0.05 -0.01 0.00 0.02 -0.00 -0.00 -0.02 0.01 0.01 0.01 0.01 0.00 -0.00 -0.01 0.03 -0.02 0.01 0.18 -0.04 -0.01 -0.05 -0.02 -0.02 -0.16 -0.06 -0.23 -0.20 -0.10 0.04 0.13 -0.07 -0.07 -0.32 0.24 0.02 0.34 -0.02 -0.16 0.23 0.10 0.11 -0.07 0.01 -0.00 -0.00 -0.01 0.08 -0.35 0.04 -0.04 -0.19 0.07 -0.20 0.26 0.15 -0.03 -0.03 0.01 -0.01 -0.00 -0.01 0.04 0.02 0.02 -0.00 -0.17 0.08 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 0.03 -0.01 -0.01 0.02 -0.02 0.01 -0.00 -0.02 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.01 -0.02 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -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 0.03 -0.13 0.11 0.00 0.02 -0.00 -0.00 -0.01 -0.00 -0.00 -0.03 -0.01 -0.02 -0.02 -0.01 0.00 0.01 -0.01 -0.01 -0.05 0.04 0.00 0.06 -0.01 -0.02 0.02 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.04 0.00 -0.01 -0.02 0.01 -0.02 0.02 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.00 0.04 -0.11 0.10 -0.17 0.72 -0.61 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.04 0.13 -0.06 -0.01 -0.03 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.02 0.01 0.00 -0.00 0.06 -0.03 -0.06 -0.07 -0.05 0.01 -0.04 0.01 0.14 0.13 -0.01 -0.01 -0.02 -0.05 -0.04 0.02 -0.00 0.00 -0.06 -0.07 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.09 0.04 0.02 -0.02 0.00 0.03 -0.01 -0.01 -0.03 0.01 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.09 -0.25 0.08 -0.01 -0.21 0.26 0.10 0.46 0.19 -0.08 -0.05 0.21 -0.07 -0.03 -0.07 -0.12 0.08 -0.03 0.12 -0.02 0.02 -0.12 -0.03 0.05 -0.13 -0.04 -0.00 -0.00 -0.01 -0.10 0.47 0.12 0.16 -0.05 -0.05 0.16 -0.04 0.01 -0.04 -0.01 0.02 -0.03 -0.01 -0.02 0.03 0.00 0.01 -0.02 -0.02 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.06 -0.04 -0.03 0.02 0.01 -0.01 -0.09 -0.13 -0.19 -0.06 -0.02 0.30 0.23 0.19 0.17 0.03 0.06 0.00 -0.01 0.02 -0.00 -0.02 -0.03 -0.01 0.02 -0.00 -0.00 -0.01 -0.03 0.07 0.03 0.01 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.02 0.01 -0.00 0.01 -0.01 0.01 -0.04 0.01 0.07 -0.05 -0.04 -0.08 0.13 -0.08 -0.13 0.04 0.01 0.00 -0.21 0.05 0.12 -0.00 -0.04 0.12 -0.01 0.00 0.02 -0.04 -0.07 -0.07 0.07 -0.00 0.01 -0.07 0.03 0.02 -0.23 0.06 -0.06 0.05 0.03 -0.00 0.06 -0.01 -0.00 -0.06 0.02 0.02 0.01 -0.10 0.02 0.00 -0.01 -0.04 -0.02 0.05 -0.01 0.02 -0.06 -0.04 -0.05 -0.00 0.07 -0.11 0.09 -0.08 -0.31 -0.29 -0.23 -0.41 -0.12 -0.08 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 -0.05 -0.06 -0.05 0.04 0.04 -0.05 0.05 0.00 0.06 0.07 0.07 -0.08 -0.08 -0.08 0.29 0.04 0.04 0.01 -0.03 0.08 -0.02 -0.04 -0.07 -0.02 0.03 -0.00 -0.08 -0.01 0.02 0.14 0.03 0.01 -0.01 0.02 -0.01 -0.02 -0.02 -0.03 -0.04 0.05 0.01 0.02 -0.02 0.03 -0.07 0.02 0.14 -0.08 -0.09 -0.14 -0.04 -0.01 0.02 0.07 0.01 0.00 0.11 0.00 -0.04 0.01 -0.06 0.19 -0.02 -0.00 -0.04 -0.05 -0.21 -0.14 0.18 -0.04 0.00 -0.20 0.09 0.06 -0.23 0.09 -0.07 -0.19 0.06 -0.01 0.15 -0.02 -0.00 -0.16 0.04 0.05 0.04 -0.33 0.08 0.00 -0.02 -0.09 -0.05 0.14 -0.01 0.04 -0.15 -0.09 -0.10 -0.02 0.13 -0.19 0.24 -0.17 0.15 0.13 0.02 0.13 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.01 0.01 0.01 -0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.01 0.03 0.03 -0.00 -0.01 -0.01 0.04 -0.01 -0.02 -0.03 -0.00 0.00 0.00 0.00 -0.02 0.00 0.02 0.03 -0.00 -0.00 0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.12 0.03 -0.00 -0.01 0.01 -0.01 -0.01 0.02 -0.02 0.09 -0.04 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.06 -0.01 -0.01 -0.00 -0.03 -0.06 -0.06 0.09 -0.04 -0.01 -0.06 0.03 0.02 -0.03 -0.02 0.01 0.01 0.01 0.01 0.06 -0.01 -0.00 -0.05 0.01 0.02 -0.12 0.76 -0.13 -0.01 0.02 -0.03 -0.01 0.05 -0.01 0.03 -0.06 -0.03 -0.03 0.07 0.01 0.06 -0.54 0.07 0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 0.12 -0.04 0.01 -0.03 0.05 0.01 0.01 0.01 -0.00 -0.04 -0.05 0.01 0.02 0.02 -0.07 -0.02 -0.10 0.01 -0.05 0.21 -0.06 0.03 -0.15 0.00 -0.02 0.01 0.01 -0.02 0.03 -0.04 -0.03 0.00 -0.00 0.01 -0.04 0.00 0.01 0.02 0.00 0.03 -0.01 0.01 -0.01 0.06 0.01 -0.00 -0.04 0.03 -0.01 0.04 0.01 0.01 0.01 -0.02 -0.00 -0.00 -0.03 -0.00 0.01 0.02 0.04 0.11 -0.06 -0.03 -0.21 -0.02 -0.14 -0.16 0.37 -0.23 -0.05 -0.33 0.18 0.09 0.14 -0.02 -0.02 -0.03 -0.11 0.00 0.27 -0.05 -0.00 -0.28 0.03 0.09 0.02 -0.17 0.01 -0.02 0.03 -0.13 -0.09 0.27 -0.01 0.07 -0.23 -0.14 0.01 -0.03 -0.04 0.03 0.10 0.02 -0.02 -0.01 0.01 0.00 0.03 0.04 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.04 0.01 -0.00 -0.04 0.01 -0.07 -0.05 -0.05 0.19 0.24 0.01 -0.04 -0.05 -0.07 0.10 0.10 -0.06 0.02 0.04 0.05 -0.02 -0.04 0.00 -0.04 0.01 0.07 -0.04 -0.05 -0.05 -0.02 0.02 0.04 -0.02 -0.02 0.01 0.01 0.03 0.01 0.01 -0.05 -0.05 0.02 0.02 0.04 -0.00 -0.06 0.01 0.00 0.05 -0.05 -0.08 -0.10 -0.03 -0.00 0.01 0.06 0.02 0.00 -0.09 0.17 0.23 -0.05 -0.07 0.20 -0.16 0.12 -0.20 0.19 -0.18 -0.06 0.02 -0.02 -0.01 -0.12 -0.08 0.08 0.35 0.07 0.07 0.18 -0.08 -0.03 0.08 -0.08 -0.01 0.03 -0.11 -0.02 -0.06 0.24 0.03 0.07 0.04 -0.04 0.11 -0.07 -0.03 0.04 -0.01 -0.06 -0.04 0.05 0.06 -0.15 -0.16 -0.13 -0.15 -0.21 -0.22 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.02 0.07 -0.02 0.00 0.03 0.01 0.02 -0.07 -0.09 -0.01 0.01 0.02 0.01 0.02 -0.02 -0.08 0.08 0.01 0.07 -0.09 -0.01 -0.02 -0.07 -0.00 -0.02 -0.03 0.02 0.01 -0.01 -0.00 0.11 -0.09 -0.02 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.09 0.09 0.02 -0.01 0.00 0.01 -0.00 -0.01 -0.01 0.02 0.04 0.05 0.01 0.00 -0.00 -0.03 -0.01 -0.00 -0.12 0.35 0.24 -0.05 -0.12 0.28 -0.22 -0.09 -0.29 0.06 -0.14 -0.04 0.10 -0.13 -0.04 0.02 -0.04 0.02 -0.08 -0.01 -0.00 0.22 -0.18 -0.08 0.30 -0.18 -0.08 0.00 -0.04 0.02 -0.09 0.35 0.11 0.09 0.02 -0.03 0.08 0.07 0.04 -0.01 -0.00 0.02 0.01 0.01 -0.02 0.08 0.09 0.06 0.06 0.08 0.09 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.04 -0.03 -0.00 0.12 -0.05 0.01 0.01 -0.00 0.00 -0.04 -0.05 -0.01 0.01 0.01 -0.02 0.07 0.03 -0.06 -0.07 0.01 0.07 -0.14 0.02 0.05 0.03 0.00 0.00 -0.06 -0.01 -0.01 -0.02 0.01 -0.13 0.21 0.07 0.00 0.01 0.02 0.00 0.02 -0.02 0.00 -0.21 -0.05 0.01 -0.00 -0.02 0.00 -0.00 0.02 0.02 0.04 0.05 -0.01 -0.00 0.00 -0.02 -0.01 -0.00 -0.06 -0.01 0.09 -0.01 -0.09 0.28 -0.12 0.02 -0.13 0.26 -0.09 -0.04 0.26 -0.08 -0.05 -0.06 -0.11 0.08 0.05 0.03 0.03 -0.17 0.21 0.06 -0.10 0.20 0.06 0.01 -0.11 -0.01 0.00 0.11 0.04 0.25 -0.31 -0.12 0.25 -0.29 -0.07 -0.00 -0.01 -0.03 -0.02 0.03 0.02 0.08 0.09 0.06 0.03 0.05 0.05 0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.05 -0.03 -0.21 0.11 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 -0.08 -0.02 -0.06 0.03 -0.03 0.08 0.28 -0.09 0.03 -0.05 -0.02 -0.01 0.05 -0.05 0.02 0.02 -0.01 -0.02 0.09 0.04 -0.02 -0.02 -0.08 -0.01 -0.01 0.05 -0.04 -0.08 -0.03 -0.01 0.00 0.04 -0.01 -0.01 -0.05 0.00 0.01 0.01 0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.09 0.22 0.12 -0.06 0.17 0.26 -0.19 0.14 -0.38 0.16 -0.13 -0.06 0.28 -0.18 -0.09 -0.03 0.03 -0.01 -0.03 0.09 -0.04 -0.02 0.04 -0.01 0.07 0.07 -0.00 0.04 0.08 0.07 -0.04 0.23 0.09 0.20 -0.22 -0.08 0.18 -0.12 -0.00 0.08 0.03 0.10 0.04 -0.02 -0.07 0.01 0.01 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.03 -0.06 0.01 -0.09 -0.02 0.03 -0.03 -0.03 -0.00 -0.05 -0.06 -0.03 0.00 0.01 0.02 0.08 0.20 0.01 -0.01 -0.00 -0.01 0.07 -0.02 -0.00 0.01 0.02 -0.02 -0.07 -0.14 -0.02 -0.00 0.04 0.01 -0.04 -0.03 0.01 0.00 0.02 0.02 -0.00 -0.06 0.02 0.03 0.03 0.03 -0.00 -0.04 -0.02 -0.00 0.02 0.05 0.13 0.14 -0.03 -0.00 0.02 -0.04 -0.02 -0.01 0.01 -0.12 0.04 -0.01 0.04 -0.04 0.04 0.27 0.08 0.02 -0.04 -0.02 -0.14 0.14 0.04 -0.49 -0.16 0.16 0.26 0.28 0.02 0.08 -0.02 0.01 -0.10 -0.04 0.02 0.05 -0.01 -0.04 0.01 -0.07 -0.06 -0.10 0.14 0.03 -0.05 -0.00 -0.03 0.04 0.00 -0.04 -0.14 -0.00 0.08 0.26 0.25 0.18 0.03 0.08 0.06 -0.01 -0.01 -0.03 0.01 0.00 0.00 -0.03 -0.02 0.02 -0.03 -0.01 0.04 -0.03 0.02 0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.18 -0.09 -0.03 -0.01 0.01 -0.01 0.01 0.05 -0.02 -0.01 -0.01 -0.01 -0.04 0.04 0.02 -0.00 0.04 0.03 0.01 0.02 0.01 0.06 0.05 0.28 0.06 -0.04 -0.18 -0.02 -0.01 -0.01 -0.00 -0.02 -0.13 -0.02 0.02 0.12 -0.00 -0.02 -0.02 -0.07 -0.01 -0.01 0.01 0.01 0.01 -0.02 0.08 0.03 0.00 0.07 0.04 -0.04 -0.11 -0.10 -0.00 0.01 0.00 0.07 -0.07 -0.02 -0.04 0.12 -0.08 -0.20 0.01 -0.05 -0.00 -0.01 -0.02 0.06 0.00 -0.01 -0.17 -0.00 -0.33 -0.01 0.07 0.03 0.06 -0.06 -0.02 0.04 -0.01 0.01 -0.41 -0.11 -0.37 -0.33 -0.01 0.30 0.03 -0.01 -0.01 0.03 0.02 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.05 -0.08 0.03 0.02 -0.02 -0.04 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.02 0.04 0.28 -0.04 -0.07 -0.03 0.04 0.13 -0.11 0.03 -0.00 0.01 -0.00 -0.01 0.00 -0.01 -0.10 0.01 -0.04 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 0.02 -0.03 0.03 0.00 -0.00 -0.01 0.01 0.00 0.02 -0.00 -0.00 -0.00 0.03 0.00 -0.01 0.00 -0.00 -0.00 0.03 0.39 -0.03 0.03 -0.01 -0.23 0.09 -0.22 0.14 0.39 -0.39 -0.15 0.15 0.10 -0.07 0.03 0.00 0.00 -0.01 0.01 -0.00 -0.03 0.09 0.05 -0.34 0.01 0.09 -0.04 0.01 -0.00 0.01 -0.08 -0.10 -0.08 0.12 0.01 -0.01 -0.13 -0.08 -0.05 -0.01 -0.04 -0.00 0.00 0.03 -0.03 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.00 0.01 -0.04 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 0.04 -0.00 -0.01 -0.03 0.01 0.01 0.01 -0.01 -0.01 0.02 -0.01 0.00 -0.02 0.00 -0.02 -0.02 -0.04 0.00 -0.01 0.01 -0.08 -0.02 -0.09 -0.12 0.00 0.09 0.00 0.01 -0.00 -0.01 -0.02 -0.10 0.05 0.03 0.13 0.00 0.01 0.01 0.33 0.04 -0.03 -0.00 -0.00 -0.00 -0.01 -0.08 0.02 -0.01 -0.02 0.03 -0.01 0.06 -0.01 -0.04 0.05 0.02 -0.01 -0.01 0.01 -0.05 0.00 -0.01 0.03 0.00 0.01 -0.02 -0.01 -0.00 0.02 0.01 -0.01 -0.46 -0.11 -0.10 0.01 -0.02 0.01 -0.01 -0.01 0.01 -0.02 0.03 0.01 -0.51 -0.14 -0.41 -0.16 0.03 0.28 0.01 0.02 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 0.00 -0.01 -0.03 -0.01 0.03 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 -0.05 -0.13 0.01 0.03 0.09 0.01 -0.02 0.15 0.06 -0.03 0.01 -0.02 0.01 0.02 -0.01 -0.00 -0.12 -0.14 0.01 0.01 0.01 0.02 0.01 0.00 -0.01 0.09 0.07 -0.01 -0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.13 -0.12 0.13 -0.05 -0.16 0.25 -0.16 0.11 -0.23 0.13 0.09 -0.00 0.19 -0.06 0.00 0.06 -0.03 0.01 -0.01 -0.01 0.01 -0.34 -0.04 0.03 -0.22 0.02 -0.00 -0.01 -0.03 -0.02 0.09 -0.40 -0.06 -0.25 0.08 0.13 -0.30 0.23 0.05 -0.03 -0.00 0.00 0.02 0.00 -0.02 0.01 -0.00 -0.01 0.01 0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.02 -0.00 -0.04 -0.01 0.00 -0.01 -0.07 -0.09 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.04 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.06 -0.08 -0.10 0.01 0.00 0.00 -0.07 0.13 0.17 0.00 0.00 -0.03 0.00 -0.00 0.01 0.00 0.02 0.00 -0.00 -0.02 -0.01 -0.01 0.03 0.00 0.11 -0.03 0.02 0.05 0.03 -0.01 0.02 0.01 0.00 -0.01 -0.01 0.00 0.04 0.02 0.02 -0.00 0.00 -0.01 -0.00 0.02 -0.00 0.01 -0.02 -0.01 0.04 0.01 0.01 -0.03 -0.00 0.02 0.60 0.17 -0.01 0.21 0.46 0.49 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.04 -0.01 0.01 -0.04 0.01 0.02 -0.02 -0.03 -0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.04 0.12 -0.04 0.04 0.04 0.06 -0.07 0.01 -0.02 -0.00 -0.02 -0.08 0.01 -0.04 0.01 0.06 -0.02 -0.04 0.01 0.00 0.07 0.07 0.02 0.07 -0.05 -0.00 -0.01 -0.02 -0.00 -0.04 -0.05 0.00 0.06 0.04 0.00 -0.01 0.02 0.02 0.02 -0.03 -0.01 -0.02 -0.02 0.01 0.02 0.03 0.05 0.20 -0.01 0.05 -0.18 0.07 -0.08 0.10 0.00 0.14 0.08 0.02 -0.20 -0.01 -0.11 0.01 -0.02 0.18 -0.09 0.06 -0.14 -0.05 -0.04 0.13 0.11 -0.04 -0.41 -0.13 -0.22 -0.00 0.03 0.09 0.07 -0.17 -0.01 0.01 0.10 0.07 -0.21 -0.04 -0.02 0.47 0.03 -0.25 0.11 0.07 0.04 0.01 0.04 0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.02 -0.02 0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.02 0.01 -0.03 -0.04 -0.10 0.08 0.01 0.03 -0.02 0.01 0.10 -0.00 0.01 -0.01 0.05 0.00 -0.04 -0.00 0.02 -0.09 0.06 0.02 0.05 -0.05 -0.01 -0.00 0.01 -0.01 0.06 -0.04 0.00 0.05 0.04 0.00 -0.01 -0.00 -0.00 -0.01 -0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.02 -0.10 -0.27 0.01 -0.05 0.20 -0.05 0.17 -0.05 -0.06 -0.18 -0.10 -0.05 0.26 0.01 0.03 -0.01 0.02 -0.00 0.01 -0.01 0.22 0.09 0.05 -0.15 -0.15 0.05 -0.38 -0.10 -0.20 -0.01 0.02 -0.12 -0.05 0.21 -0.00 0.03 -0.17 -0.10 -0.18 -0.03 -0.02 0.42 0.03 -0.22 -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 -0.06 0.01 -0.02 -0.08 0.04 -0.03 0.06 0.07 0.01 -0.03 -0.04 0.03 0.00 -0.00 -0.05 0.26 -0.08 0.03 0.01 -0.04 0.00 0.02 0.01 -0.03 -0.02 0.02 0.02 -0.08 -0.00 0.10 -0.03 0.03 0.02 0.03 -0.02 0.01 0.01 0.01 0.05 0.02 -0.01 -0.01 -0.01 0.02 -0.03 -0.00 -0.00 -0.06 -0.01 -0.01 -0.03 -0.04 -0.03 -0.00 -0.00 0.00 0.02 -0.00 -0.01 0.03 -0.13 -0.04 -0.03 -0.16 -0.02 0.05 0.27 0.13 -0.10 -0.01 -0.00 -0.03 0.04 -0.01 0.48 -0.28 0.15 -0.11 0.10 -0.01 0.09 0.05 0.01 0.01 -0.04 0.01 0.15 -0.02 0.05 -0.02 0.07 -0.02 0.04 0.03 -0.02 0.06 -0.08 -0.03 -0.14 -0.03 -0.07 -0.40 -0.03 0.17 -0.22 -0.11 -0.09 0.07 0.05 0.05 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.01 0.01 -0.00 0.02 -0.07 -0.08 0.01 0.03 0.03 -0.05 0.01 0.03 -0.12 -0.01 -0.09 -0.01 -0.01 -0.02 0.01 0.01 0.03 0.00 -0.00 0.02 0.02 0.02 0.04 0.15 0.01 -0.01 -0.00 0.00 -0.03 0.02 0.01 0.00 0.06 0.02 0.02 0.00 -0.00 0.02 -0.05 -0.00 0.02 -0.07 -0.01 -0.02 0.03 0.03 0.03 0.00 -0.00 -0.01 -0.03 -0.00 0.00 -0.01 0.00 -0.13 0.03 0.09 0.05 -0.03 -0.23 -0.07 -0.06 -0.02 -0.02 0.04 0.03 -0.01 -0.23 0.17 -0.10 0.28 -0.24 0.08 0.03 0.04 0.02 -0.04 -0.05 0.01 0.17 0.03 0.08 -0.00 0.01 -0.03 -0.01 0.05 -0.00 0.00 -0.04 -0.02 -0.25 -0.05 -0.09 -0.43 -0.03 0.18 0.37 0.18 0.10 -0.16 -0.14 -0.14 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 0.04 -0.05 0.04 0.02 -0.05 -0.11 0.04 0.10 0.07 -0.02 -0.04 0.01 0.04 0.04 -0.15 -0.14 0.21 0.00 0.00 0.04 -0.03 -0.02 -0.04 0.01 0.01 -0.03 0.02 0.06 -0.09 0.17 0.05 0.04 -0.01 -0.03 0.05 0.06 0.00 -0.02 0.00 -0.01 -0.02 0.01 0.01 -0.03 -0.07 -0.01 0.02 -0.03 -0.01 -0.04 -0.03 -0.07 -0.08 0.02 0.01 0.02 0.01 -0.01 -0.02 -0.02 0.12 0.22 0.02 0.19 -0.03 0.00 0.06 0.01 0.17 -0.01 0.00 -0.05 -0.03 0.02 0.39 -0.24 0.22 -0.08 0.21 -0.09 -0.07 -0.09 -0.03 0.03 0.09 -0.02 -0.23 -0.04 -0.16 0.02 -0.05 0.06 -0.01 -0.09 0.02 -0.04 0.11 0.05 -0.28 -0.05 -0.10 -0.16 -0.02 0.03 0.17 0.01 -0.04 -0.11 -0.15 -0.16 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.02 -0.01 0.02 -0.10 -0.01 -0.00 0.09 0.01 -0.01 -0.05 0.05 0.08 0.07 0.05 -0.03 0.01 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.06 -0.00 0.02 -0.08 -0.01 -0.00 0.00 0.01 -0.00 -0.02 -0.00 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.03 0.00 -0.01 0.02 0.01 0.01 -0.00 -0.04 -0.04 -0.01 -0.00 -0.00 -0.02 -0.02 -0.02 0.02 -0.02 -0.03 -0.03 -0.15 -0.03 0.01 0.14 0.04 -0.03 0.01 0.01 -0.01 0.00 -0.00 0.13 -0.01 0.01 -0.04 0.02 -0.01 0.01 0.01 0.00 0.01 -0.01 0.00 0.01 0.00 0.01 -0.00 0.01 -0.00 0.01 0.00 -0.01 0.01 -0.02 -0.01 0.15 0.03 0.05 0.14 0.01 -0.05 0.62 0.25 0.07 -0.33 -0.37 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.05 0.03 0.03 0.02 -0.02 -0.02 -0.01 0.01 0.01 -0.00 -0.01 -0.01 -0.02 -0.07 -0.01 0.05 0.04 0.03 0.04 -0.03 -0.04 0.00 -0.02 -0.02 -0.01 0.02 0.01 0.03 0.01 0.00 0.00 0.01 0.03 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 -0.01 0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.06 0.10 -0.12 -0.11 -0.64 -0.15 0.01 0.66 0.11 0.07 0.00 0.02 -0.10 0.02 0.01 -0.10 0.08 -0.04 0.01 -0.04 0.00 -0.04 -0.01 -0.00 0.04 0.05 -0.01 0.01 0.02 -0.00 -0.00 0.01 0.03 0.02 -0.04 -0.01 0.01 0.02 0.02 -0.06 -0.01 -0.02 -0.06 -0.01 0.02 -0.02 -0.00 0.01 0.02 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.03 -0.01 -0.01 -0.01 -0.04 0.03 0.01 0.02 -0.03 0.02 0.02 0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.02 -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.02 -0.02 -0.35 0.02 0.06 0.09 -0.00 -0.08 -0.03 0.42 -0.26 -0.08 -0.32 0.21 0.08 0.01 -0.00 -0.00 0.01 -0.01 0.01 0.22 -0.33 -0.13 -0.11 0.30 0.03 0.04 0.00 0.03 0.03 -0.07 0.16 0.02 -0.24 0.01 -0.02 0.22 0.11 -0.02 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.03 -0.00 -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 0.06 0.02 0.05 -0.00 -0.00 0.00 -0.12 -0.01 0.05 0.04 0.01 -0.00 -0.00 0.00 -0.00 0.04 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.01 -0.09 0.00 -0.00 -0.00 0.00 0.01 -0.04 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.01 -0.01 0.03 -0.03 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.55 -0.15 -0.36 0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.01 0.00 0.58 0.13 0.32 -0.20 -0.01 0.10 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 0.08 0.02 0.00 0.18 0.01 -0.04 0.05 -0.11 -0.15 -0.01 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.04 -0.01 0.01 0.01 0.01 0.08 0.00 0.00 -0.00 0.03 -0.00 -0.03 -0.03 -0.01 -0.03 -0.00 -0.00 0.00 -0.03 -0.01 -0.03 0.03 -0.00 -0.03 -0.05 0.03 0.05 0.00 0.01 0.05 -0.18 0.11 0.18 0.00 -0.00 -0.02 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.06 0.01 -0.01 -0.16 0.03 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.07 -0.02 -0.05 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.05 0.01 0.02 -0.05 -0.00 0.01 -0.30 -0.08 0.00 -0.66 -0.40 -0.29 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.02 0.02 0.01 0.01 -0.01 -0.00 -0.03 -0.04 -0.08 0.00 0.03 -0.03 0.04 0.06 -0.00 0.03 -0.09 -0.01 0.01 0.01 0.02 0.03 0.03 -0.00 -0.01 -0.01 0.00 -0.00 0.03 -0.01 0.06 0.40 0.00 0.00 -0.00 0.14 -0.00 -0.15 -0.16 -0.05 -0.16 -0.00 -0.00 0.00 -0.18 -0.05 -0.16 0.19 0.00 -0.15 0.03 0.00 -0.01 0.01 0.04 0.26 0.06 -0.04 -0.07 0.02 -0.05 -0.26 -0.01 -0.15 -0.04 -0.04 -0.24 -0.09 -0.03 0.01 0.00 -0.01 -0.01 0.00 0.05 0.04 -0.05 0.00 -0.07 0.02 0.01 0.01 0.00 0.00 0.01 0.00 -0.24 -0.06 -0.21 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.28 0.05 0.09 -0.18 -0.01 0.05 0.15 0.05 0.01 0.23 0.14 0.10 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 -0.00 0.06 -0.06 -0.00 -0.02 0.00 -0.00 -0.09 0.07 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.09 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 0.03 0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.05 0.26 -0.11 0.01 0.03 -0.05 0.00 0.05 0.03 0.43 -0.18 -0.06 0.33 -0.19 -0.09 0.01 -0.00 -0.00 0.01 -0.01 0.00 0.10 -0.09 -0.02 0.50 -0.36 -0.15 -0.00 -0.00 -0.00 0.05 -0.18 -0.10 -0.09 0.05 0.08 -0.09 -0.06 -0.09 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.00 0.02 0.03 -0.01 -0.03 -0.01 0.01 0.01 -0.02 0.00 0.01 -0.00 -0.01 -0.02 0.02 -0.02 -0.04 -0.04 -0.04 -0.04 -0.00 0.01 0.06 -0.01 0.00 0.02 -0.00 0.00 0.01 -0.03 0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.04 -0.01 -0.00 -0.01 0.01 0.00 -0.01 0.02 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.02 0.12 0.40 0.00 0.18 0.05 0.09 0.27 0.17 -0.19 0.01 -0.00 0.35 -0.08 -0.07 0.06 0.00 -0.01 -0.12 0.01 -0.02 0.49 -0.26 -0.11 -0.32 0.14 0.08 -0.00 0.00 -0.00 0.02 -0.06 0.03 -0.01 -0.10 0.01 -0.05 0.09 0.02 0.02 0.00 0.01 -0.03 -0.00 0.01 0.03 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.01 0.02 0.12 -0.03 -0.08 -0.01 0.03 0.04 -0.10 0.01 0.03 -0.00 0.01 0.01 -0.01 -0.02 -0.03 -0.02 -0.04 -0.03 0.01 0.02 -0.02 -0.06 0.00 0.03 0.00 -0.00 0.00 0.04 -0.03 0.01 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 0.09 0.00 -0.02 -0.00 -0.00 0.00 -0.04 -0.02 -0.01 -0.03 0.20 0.04 0.04 0.34 0.15 0.05 0.20 0.10 0.19 -0.04 -0.01 -0.26 0.15 0.06 0.33 -0.09 0.03 -0.45 0.10 -0.09 -0.40 0.20 0.08 0.09 -0.03 -0.02 -0.01 -0.00 -0.00 -0.02 0.07 0.00 -0.00 0.08 -0.01 0.03 -0.03 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.08 -0.01 -0.03 -0.03 0.00 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.02 0.01 0.00 -0.00 0.03 -0.07 0.01 0.04 -0.00 -0.02 -0.02 0.06 -0.00 -0.02 0.00 0.01 -0.04 0.01 -0.06 0.00 -0.02 -0.05 -0.05 0.02 0.03 0.00 0.05 -0.01 0.00 -0.01 -0.00 0.01 0.04 -0.04 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.00 -0.05 0.00 0.02 0.00 0.00 0.01 0.03 0.01 0.00 -0.02 0.62 -0.21 0.03 0.38 0.19 0.09 0.26 0.13 0.02 0.05 0.02 -0.02 0.07 0.01 -0.26 0.10 -0.07 0.20 -0.03 0.05 -0.24 0.13 0.05 -0.16 0.07 0.04 0.01 -0.00 0.01 -0.01 0.08 0.01 -0.01 0.06 -0.02 -0.00 0.02 0.03 0.03 0.01 0.02 -0.03 -0.00 0.02 -0.04 0.01 0.03 0.03 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.02 0.02 -0.00 -0.00 0.02 -0.04 -0.01 -0.00 -0.02 -0.02 -0.01 0.05 -0.00 -0.02 0.00 -0.03 -0.05 -0.01 0.04 -0.11 -0.02 -0.03 -0.00 -0.01 -0.01 0.00 0.02 0.01 0.01 -0.01 0.00 0.00 -0.01 0.01 0.02 0.02 0.00 0.00 -0.02 -0.00 0.00 0.00 0.00 0.01 -0.03 -0.00 -0.01 0.03 0.00 -0.01 -0.05 0.01 0.03 -0.00 -0.00 -0.00 0.04 0.02 0.01 -0.03 -0.40 0.61 0.01 0.16 0.06 0.05 0.19 0.13 0.25 -0.16 -0.05 -0.28 0.17 0.05 -0.09 0.06 -0.04 0.11 -0.06 0.02 -0.12 0.04 0.01 0.24 -0.11 -0.06 0.01 0.01 0.02 0.00 -0.03 0.00 -0.01 0.01 0.01 0.02 -0.05 -0.02 0.07 0.02 0.05 -0.08 -0.00 0.06 0.03 0.05 0.05 0.00 -0.03 -0.04 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.04 -0.07 -0.06 -0.10 -0.04 -0.02 0.06 -0.01 -0.03 0.04 -0.00 0.02 0.01 -0.02 0.01 0.00 0.01 0.00 -0.01 0.02 0.01 -0.12 0.08 -0.02 -0.00 0.00 0.00 0.02 -0.02 -0.01 -0.02 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.02 0.00 -0.00 -0.02 -0.00 0.00 -0.11 0.03 0.07 0.00 0.00 0.01 0.11 0.07 0.05 -0.00 0.13 -0.04 -0.02 -0.08 -0.02 0.00 -0.04 -0.01 0.00 0.01 -0.00 0.07 -0.04 -0.01 0.64 -0.26 0.21 0.29 -0.26 0.06 -0.05 0.04 0.02 -0.10 0.06 0.03 0.00 0.00 -0.01 -0.01 0.03 0.01 -0.00 0.02 -0.01 -0.00 0.02 0.02 -0.03 -0.01 -0.03 0.07 0.00 -0.05 0.20 0.18 0.16 -0.09 -0.17 -0.18 -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 0.03 0.06 0.08 0.03 0.01 -0.05 0.01 0.02 0.06 -0.00 -0.02 0.01 -0.03 -0.04 -0.01 0.01 0.01 -0.01 0.02 0.01 -0.10 0.05 -0.05 -0.02 -0.01 -0.01 0.02 -0.02 -0.00 0.03 0.01 0.01 -0.02 -0.00 0.01 -0.00 -0.01 -0.00 -0.03 -0.00 -0.00 0.03 0.01 0.00 0.08 -0.02 -0.05 -0.00 -0.00 -0.02 -0.10 -0.05 -0.03 -0.02 0.07 0.19 -0.02 -0.10 -0.03 0.03 -0.01 0.04 0.09 -0.06 -0.03 0.01 0.02 0.00 0.09 -0.18 0.22 0.67 -0.42 0.13 -0.10 0.06 0.03 -0.08 0.05 0.02 0.03 0.02 0.04 -0.01 0.04 0.02 -0.01 0.03 -0.01 0.00 0.02 0.03 0.08 0.02 0.07 -0.08 0.00 0.07 -0.14 -0.12 -0.10 0.02 0.11 0.11 -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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.01 0.01 -0.03 0.07 0.08 0.01 -0.06 -0.05 0.07 -0.07 -0.04 -0.04 0.02 -0.01 -0.02 -0.01 -0.03 -0.07 0.06 0.02 0.05 0.01 0.01 -0.03 -0.00 0.02 0.01 0.03 0.01 -0.04 -0.00 0.01 0.04 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.04 -0.00 0.00 0.00 0.01 -0.12 -0.38 0.06 0.39 0.20 0.00 0.19 0.01 -0.26 0.19 0.09 -0.19 0.07 0.03 0.11 -0.08 0.08 0.15 -0.11 0.03 0.25 -0.17 -0.10 0.29 -0.21 -0.06 0.02 0.01 0.05 0.02 -0.14 -0.05 0.03 -0.12 0.05 0.00 -0.09 -0.10 0.08 0.02 0.09 -0.13 -0.00 0.11 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.01 0.02 -0.00 -0.02 -0.03 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.06 0.02 -0.02 0.01 0.00 0.03 0.02 -0.04 0.04 0.01 0.02 -0.02 0.00 -0.04 -0.02 -0.10 0.04 -0.03 -0.02 0.16 0.03 0.03 -0.09 -0.00 0.06 -0.01 -0.01 -0.00 -0.14 -0.01 0.05 0.14 0.02 0.02 -0.03 -0.00 0.01 -0.02 -0.03 -0.16 0.03 0.02 0.01 0.02 0.01 -0.03 -0.02 -0.17 -0.11 -0.03 -0.12 -0.06 0.08 -0.06 -0.03 0.20 -0.12 -0.04 0.03 0.02 -0.04 -0.26 0.17 -0.06 -0.10 0.07 0.04 -0.19 0.11 0.04 0.04 0.03 0.15 -0.01 0.05 0.01 0.01 0.03 -0.03 0.01 0.04 0.04 0.26 0.08 0.30 -0.46 -0.00 0.37 0.07 0.04 0.03 -0.02 -0.05 -0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.04 -0.03 -0.00 0.02 0.02 0.06 -0.03 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.06 0.04 0.02 0.01 0.00 0.00 -0.01 -0.00 0.00 0.06 -0.10 -0.03 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.04 0.25 0.12 -0.02 -0.11 -0.06 -0.01 -0.09 -0.02 -0.14 0.07 0.02 -0.23 0.13 0.06 0.01 -0.00 -0.00 -0.02 0.02 -0.00 0.18 -0.11 -0.05 0.20 -0.11 -0.05 0.00 0.00 0.01 0.04 0.44 0.11 -0.34 0.35 -0.01 -0.29 0.29 0.24 0.01 0.00 0.02 -0.03 -0.00 0.02 0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 -0.09 -0.06 -0.01 0.05 0.04 0.08 -0.02 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.03 0.01 0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.02 0.07 0.02 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.08 0.48 0.24 -0.05 -0.26 -0.11 0.00 -0.18 -0.01 -0.14 0.12 0.04 -0.29 0.24 0.08 0.00 0.00 -0.01 -0.04 0.04 -0.00 0.06 -0.06 -0.03 0.08 -0.06 -0.02 0.00 0.00 0.01 0.00 -0.33 -0.05 0.16 -0.29 0.06 0.15 -0.23 -0.21 0.01 0.00 0.01 -0.02 -0.00 0.02 0.01 0.01 0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.20 0.13 0.12 -0.08 -0.05 -0.04 -0.06 0.02 0.04 -0.01 -0.02 -0.02 -0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.10 -0.08 -0.02 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.07 -0.10 -0.11 -0.00 0.00 0.01 0.05 0.04 0.03 0.00 -0.04 0.02 -0.00 0.02 0.02 0.01 0.03 0.02 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.17 0.25 -0.45 0.43 0.41 0.24 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.02 -0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 -0.02 -0.01 -0.00 -0.01 0.29 0.03 -0.05 -0.11 -0.16 -0.15 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.07 -0.05 -0.04 0.05 0.02 0.02 0.02 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.03 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.00 0.02 0.04 0.04 -0.00 -0.00 -0.00 -0.04 -0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.00 0.01 -0.01 0.48 0.22 -0.50 0.29 0.54 0.23 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.02 -0.00 0.01 -0.10 -0.00 0.02 0.05 0.08 0.08 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.04 -0.06 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.00 -0.02 -0.01 -0.01 -0.02 -0.01 0.30 0.37 0.49 0.26 0.52 -0.36 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 -0.08 -0.08 -0.11 -0.08 -0.10 0.08 0.01 0.00 0.01 0.00 0.05 0.00 -0.03 -0.02 0.02 -0.05 -0.00 -0.02 0.01 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 -0.03 -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 0.14 0.01 -0.06 0.00 0.01 0.00 -0.05 0.01 0.12 -0.11 -0.03 -0.09 -0.01 -0.00 -0.00 -0.12 -0.03 -0.11 -0.06 0.01 0.08 0.00 0.00 -0.00 0.12 0.02 0.03 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 -0.01 0.01 -0.00 -0.02 -0.03 -0.04 -0.02 -0.04 0.03 0.02 0.02 -0.04 0.01 0.05 0.01 -0.07 -0.09 -0.12 -0.05 -0.13 0.08 0.48 0.11 0.26 -0.00 -0.09 -0.01 0.07 0.10 -0.07 0.10 0.06 0.09 0.47 0.10 0.22 0.40 0.03 -0.16 -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 0.01 0.01 0.00 0.00 0.00 -0.00 -0.02 -0.00 0.01 0.00 0.04 0.01 0.01 -0.00 -0.02 0.02 0.00 0.01 -0.03 -0.01 -0.01 0.02 0.00 0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.01 0.01 -0.01 -0.02 -0.02 0.00 -0.01 -0.01 -0.01 -0.03 -0.01 -0.03 0.02 -0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.17 -0.24 -0.30 -0.10 -0.35 0.19 -0.07 -0.02 -0.04 0.01 -0.32 0.06 0.17 0.37 -0.23 0.41 0.20 0.31 -0.07 -0.01 -0.03 -0.06 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 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 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.05 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.02 0.02 -0.03 -0.03 0.02 -0.02 -0.02 0.01 0.01 0.04 -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 0.04 0.01 -0.01 -0.02 0.01 0.00 0.00 0.08 -0.08 0.68 -0.51 0.04 0.19 0.39 -0.20 -0.12 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 -0.05 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.00 0.03 0.04 -0.05 -0.05 0.03 -0.04 0.05 0.09 0.11 0.04 0.13 -0.08 0.00 -0.00 -0.00 0.00 0.00 0.00 0.30 0.26 0.38 0.21 0.38 -0.29 0.02 0.00 0.01 -0.01 -0.24 -0.01 0.16 0.27 -0.19 0.28 0.15 0.23 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 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.00 0.01 0.01 -0.01 0.03 -0.08 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.03 -0.03 -0.30 -0.25 0.59 0.52 -0.28 0.36 0.01 0.01 0.01 0.02 -0.01 -0.02 0.00 0.00 -0.00 -0.02 0.01 -0.00 0.03 0.02 0.03 0.05 0.00 -0.04 0.00 0.00 -0.00 0.01 -0.03 0.04 -0.02 0.05 -0.01 0.05 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 -0.14 -0.01 0.03 -0.09 -0.08 -0.07 -0.19 -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 0.03 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.07 -0.00 -0.00 -0.00 -0.00 0.21 0.15 0.12 0.00 -0.01 0.00 -0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 0.03 -0.08 0.18 0.06 0.05 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.48 -0.29 -0.19 -0.25 -0.37 -0.38 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 0.05 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.05 -0.36 -0.00 -0.00 -0.00 -0.15 0.01 0.20 0.05 0.05 0.22 -0.00 0.00 -0.00 -0.02 -0.03 -0.21 0.21 -0.02 -0.29 0.00 0.00 0.00 -0.07 0.06 0.41 0.00 0.00 0.00 0.00 0.01 -0.02 -0.02 -0.04 0.02 0.03 -0.03 0.01 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.02 -0.01 0.01 -0.02 0.04 -0.01 0.01 0.01 0.01 0.00 0.01 -0.01 -0.35 -0.06 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.18 0.01 -0.11 -0.46 -0.05 0.06 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.21 -0.04 -0.04 -0.00 -0.00 0.00 0.26 0.03 -0.04 0.35 0.07 0.13 0.00 0.00 -0.00 -0.29 -0.06 -0.12 -0.29 -0.04 0.03 0.00 0.00 0.00 0.15 0.03 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.37 -0.11 -0.31 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.31 0.08 0.23 0.23 -0.01 -0.27 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.04 -0.00 -0.00 0.01 -0.00 0.01 0.03 0.05 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 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 0.44 0.04 0.04 -0.20 0.06 -0.06 0.03 0.00 -0.02 -0.17 -0.47 0.52 -0.17 -0.13 -0.38 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.06 -0.06 0.05 0.04 0.10 -0.00 -0.00 0.00 -0.06 -0.01 0.01 0.03 0.02 0.06 0.02 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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 -0.02 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.05 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.21 -0.02 -0.02 0.21 -0.06 0.07 -0.03 -0.01 0.03 -0.02 -0.06 0.06 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.04 0.04 -0.07 -0.05 -0.14 -0.00 0.00 -0.00 -0.43 -0.03 0.05 0.22 0.18 0.49 0.12 0.39 -0.42 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 -0.04 0.01 -0.02 0.01 0.03 -0.02 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 -0.01 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 -0.27 -0.02 -0.02 0.57 -0.17 0.18 -0.10 -0.02 0.09 -0.11 -0.30 0.32 -0.03 -0.02 -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.04 0.05 -0.18 -0.13 -0.36 -0.00 0.00 -0.00 0.21 0.02 -0.02 -0.06 -0.05 -0.14 -0.05 -0.17 0.18 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.06 -0.00 -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 0.02 0.02 0.02 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 0.75 0.05 0.06 0.15 -0.04 0.05 -0.08 -0.02 0.07 0.06 0.16 -0.17 0.05 0.04 0.11 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.04 -0.13 0.15 -0.21 -0.16 -0.43 -0.00 0.00 0.00 0.02 0.00 -0.00 0.04 0.03 0.08 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 -0.02 -0.00 -0.00 -0.04 0.02 -0.03 0.00 -0.01 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.03 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -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 0.25 0.02 0.02 0.58 -0.17 0.19 -0.16 -0.04 0.15 0.05 0.14 -0.14 -0.09 -0.08 -0.18 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.04 0.12 -0.14 0.25 0.18 0.50 -0.00 0.00 -0.00 -0.08 -0.01 0.01 -0.03 -0.02 -0.06 0.01 0.03 -0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -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 -0.00 -0.08 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -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 0.16 0.01 0.01 0.07 -0.02 0.02 -0.03 -0.01 0.03 -0.09 -0.23 0.23 0.33 0.28 0.70 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.08 0.25 -0.27 0.06 0.04 0.13 0.00 0.00 -0.00 -0.09 -0.01 0.01 0.01 0.01 0.01 -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 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.07 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.00 -0.03 0.01 -0.01 0.01 0.00 -0.01 0.03 0.09 -0.10 -0.08 -0.06 -0.16 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.12 0.34 -0.36 -0.06 -0.05 -0.11 -0.00 -0.00 0.00 -0.14 -0.01 -0.00 0.22 0.18 0.46 -0.12 -0.40 0.41 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.08 -0.02 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.01 0.01 -0.01 -0.00 0.01 -0.01 -0.02 0.02 0.03 0.02 0.06 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.05 0.05 0.08 0.06 0.16 0.00 0.00 -0.00 0.81 0.05 -0.10 0.18 0.16 0.44 0.01 0.09 -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 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.06 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 0.01 -0.00 0.00 0.03 -0.01 0.01 -0.02 -0.01 0.02 -0.04 -0.09 0.10 0.07 0.05 0.13 0.00 0.00 0.00 0.00 0.00 -0.01 -0.16 -0.48 0.50 0.13 0.10 0.26 0.00 0.00 -0.00 -0.25 -0.01 0.02 0.11 0.10 0.23 -0.09 -0.32 0.32 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.05 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.11 -0.50 -0.36 -0.24 -0.12 0.73 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 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 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.09 -0.01 -0.01 -0.23 0.07 -0.09 -0.65 -0.18 0.68 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.01 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 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 -0.04 -0.08 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.14 0.63 0.44 -0.19 -0.11 0.58 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 -0.00 -0.06 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.05 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.40 0.05 0.66 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.02 -0.29 -0.13 -0.54 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.00 -0.05 -0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.03 -0.01 -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.33 0.04 0.52 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.06 0.01 0.09 0.36 0.16 0.66 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 0.04 -0.01 -0.07 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 0.05 -0.01 -0.08 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.51 0.06 0.85 -0.03 -0.01 -0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.07 0.02 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 -0.06 -0.09 0.82 -0.24 -0.50 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.04 -0.05 -0.07 -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 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.40 0.53 0.73 0.10 -0.03 -0.06 17 17 8 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 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 17 17 8 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 1 1 34.96885 34.96885 15.99491 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 341.06978 0.99993 -0.0115 -0.00118 0.0115 0.99993 -0.00194 0.0012 0.00192 1.0 asymmetric 1 0.01754 0.00753 0.00657 0.36547 0.15694 0.13691 805930.6 23.74 39.62 58.85 70.44 76.44 92.55 123.41 137.95 195.38 211.61 242.03 249.94 291.46 300.80 361.72 365.45 376.58 411.80 463.40 491.88 522.08 537.57 567.09 581.57 667.79 719.34 764.60 824.50 872.72 909.26 946.01 976.34 987.71 997.25 1041.27 1081.61 1082.47 1155.26 1177.74 1212.26 1225.25 1237.70 1246.08 1276.00 1284.51 1290.22 1322.87 1398.26 1412.90 1425.52 1440.95 1470.54 1480.77 1499.72 1523.71 1533.73 1554.96 1596.03 1613.65 1634.94 1666.48 1678.54 1682.82 1710.73 1749.86 1759.55 1766.01 1798.30 1834.41 1852.18 1879.11 1880.57 1900.22 1918.70 1942.91 1954.60 1976.74 2000.56 2009.81 2022.55 2025.69 2037.79 2046.65 2088.93 2121.70 2132.20 2150.61 2155.45 2161.57 2173.78 2182.47 2215.87 2289.28 2333.89 4324.72 4339.49 4342.15 4352.16 4361.35 4387.38 4410.74 4441.10 4447.37 4453.99 4485.97 4536.68 4596.62 4616.59 4623.74 4669.95 4694.02 0.306963 0.327272 0.328217 0.254863 -1816.937169 -1816.916859 -1816.915915 -1816.989268 205.367 75.893 154.385 0.000 0.000 0.000 0.889 2.981 43.375 0.889 2.981 34.969 203.589 69.931 76.040 1 0.593 1.986 7.017 2 0.593 1.984 5.999 3 0.594 1.981 5.215 4 0.595 1.978 4.859 5 0.596 1.976 4.697 6 0.597 1.971 4.320 7 0.601 1.959 3.754 8 0.603 1.952 3.536 9 0.614 1.918 2.862 10 0.617 1.906 2.710 11 0.625 1.882 2.455 12 0.627 1.875 2.395 13 0.639 1.836 2.110 14 0.642 1.827 2.052 15 0.663 1.760 1.721 16 0.665 1.756 1.703 17 0.669 1.743 1.650 18 0.684 1.699 1.496 19 0.707 1.631 1.300 20 0.721 1.592 1.203 21 0.737 1.549 1.110 22 0.745 1.526 1.065 23 0.761 1.483 0.984 24 0.769 1.461 0.947 25 0.822 1.330 0.754 26 0.855 1.250 0.658 27 0.886 1.180 0.584 28 0.929 1.090 0.498 29 0.965 1.018 0.438 0.920534e+24 23.964040 55.179240 0.379622e+09 8.579351 19.754687 0.100000e+01 0.000000 0.000000 0.247582e+09 8.393719 19.327252 0.979421e+07 6.990969 16.097302 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1817.2441314 3.796E-9 1.836E-5 0.3069627 0.3272724 -1816.916859 -1816.9159148 -1816.989268 3.677185,-10.8118868,7.1347017,-6.2050989,2.1638506,-3.9703802 C01 [X(C15H17Cl2N3O2)] -0.9248875 -0.9003122 -0.6639319 -0.0863396 -0.0032751 0.102615 0.0166349 -0.1791482 -0.217253 0.1000741 -0.2488403 -0.6132454 -0.0547041 -0.0262228 0.0020416 0.0206841 -0.9433238 -0.1028095 0.0054823 -0.0755733 -0.0871766 -1.1099955 0.3130898 -0.0964076 0.3298397 -0.786056 0.0657562 -0.1672901 0.0372814 -0.4842638 -0.8309936 0.1011503 -0.2140871 0.1685663 -0.6419887 0.1396764 -0.1802802 0.1612601 -0.6618232 -0.1036827 -0.0475897 -0.0267162 -0.0499561 -0.8232911 -0.096838 -0.0683962 -0.0370119 -0.0621892 -0.2699179 0.2378993 0.1267636 0.076135 -0.0936618 -0.05821 0.0504601 -0.3092017 -0.3213629 -0.3930868 -0.1034381 0.0485799 -0.1195217 -0.8085157 -0.0604451 0.1126576 0.0821656 -0.3659159 0.9152285 -0.1278247 0.115021 -0.2240669 1.1670475 -0.1346967 0.0453217 -0.0567519 0.6630833 0.6987376 -0.1516027 0.0606286 -0.2183124 0.3986833 -0.0752565 0.3362732 -0.1707287 0.2726197 0.5865419 -0.0909183 0.2591197 -0.0343475 0.3301946 -0.0628456 0.0760154 -0.0290278 0.2352643 -0.0115919 -0.065437 0.0135402 -0.057004 0.0712768 -0.0126906 0.0204408 -0.0050939 0.1517312 0.0795204 0.0817488 -0.0057341 0.1176043 0.6088903 0.0691457 0.0353976 0.0907653 0.1383918 -0.1441376 -0.1118917 0.0080089 0.0502898 -0.2118738 -0.0361007 -0.00911 -0.0540062 -0.3071165 0.0463942 0.019899 -0.0198275 0.0190475 0.0774221 0.016959 0.0101477 -0.0058359 0.0704138 0.0116679 -0.0243675 -0.157431 -0.0571365 0.2968336 0.3743124 -0.1262894 0.2256045 0.8821393 -0.0831128 -0.0123895 -0.0238652 0.0115935 0.018712 0.0309397 -0.0356179 0.1146238 0.0260138 0.0751536 -0.0272392 0.0227061 -0.0540185 0.0683985 0.0057378 0.0194963 0.0088508 0.1381793 -0.0768043 0.031148 0.0119547 0.0325671 -0.4190423 -0.2112563 0.0089019 -0.1863474 -0.1990738 -0.0905799 -0.0179417 -0.0140895 -0.0142024 -0.3610882 0.0636081 -0.0266852 0.0526628 -0.0039213 0.0509619 -0.1677958 -0.0625591 0.0500897 0.7771552 0.1628321 0.0217455 0.2187747 0.1077826 -0.0113704 0.0350215 -0.0294198 -0.0080476 1.3901669 0.1236153 -0.0308699 0.142106 0.1456971 0.2496684 0.0917958 -0.2341336 0.0039176 0.1969283 -0.0631483 -0.2799522 -0.0879388 0.2552434 -0.028603 -0.0189725 0.0052454 0.016168 -0.1793987 0.0020422 -0.002689 -0.0022629 0.0077048 -0.0389145 -0.039454 -0.0570025 -0.0807917 -0.0788746 -0.0916114 -0.0585234 -0.0512259 0.0175299 0.0401121 0.0035273 -0.0010726 0.0205244 -0.0341549 0.115686 -0.0344069 0.060078 -0.000049 -0.0422386 0.054009 -0.0651335 0.0204818 -0.0104708 0.050352 -0.1030484 0.0909328 -0.0436506 0.0111784 0.016795 0.0401932 -0.0086116 0.0015955 -0.0380097 0.0937703 -0.0809888 -0.0814113 0.025846 0.059334 0.0157427 -0.0291534 0.0135718 -0.0220173 0.0446647 -0.0392463 0.0512383 0.0864132 0.0272657 0.0088117 -0.0107936 -0.0240732 -0.0027207 -0.035591 0.0465084 -0.0183755 -0.0113782 0.0238684 -0.0527724 0.0317333 -0.0159166 0.0319665 -0.0761565 0.0627321 -0.0158416 0.0020935 0.0120169 0.0778895 0.0225743 -0.0165504 -0.0512789 0.0998808 -0.0737063 -0.0861187 0.1161031 -0.019548 0.0102974 -0.0277616 0.099235 0.0314608 0.008348 0.0365623 0.0219438 0.0094848 -0.0169569 0.0083757 -0.0862127 -0.1538698 0.0126958 0.0129149 0.0042438 0.0663332 -0.0002171 -0.0052881 0.0230356 0.0409157 0.031866 -0.0858771 0.0917948 -0.0619169 -0.1020988 -0.0687482 0.0223878 -0.0535106 0.0732286 0.0305654 0.0701467 -0.1204772 0.0601171 -0.0564592 0.1304974 -0.0142446 0.0196972 -0.0055093 0.060103 0.0239007 0.0194372 0.0267355 0.0487412 0.1304928 0.0040643 0.022996 0.0098069 0.0429839 -0.0442193 0.0266594 -0.0486341 0.0125528 0.097252 -0.0155093 0.0573579 -0.0043991 0.0855968 0.0424163 0.0608831 0.0608401 0.110901 0.0930688 -0.027114 0.0531406 -0.0425558 0.0140719 0.034035 0.054616 0.0414938 0.0865887 184.6684452|6.968782|284.0859249|-12.5946724|10.276258|198.7114485 -0.000008525 0.000003444 -0.000001267 -0.000000315 -0.000006762 0.000001152 -0.000010126 -0.000017451 -0.000000280 0.000008986 0.000003070 -0.000037985 0.000016321 0.000008228 -0.000039865 -0.000025517 -0.000016272 0.000056326 0.000097400 -0.000017693 0.000023845 0.000018329 -0.000005083 0.000047871 0.000006677 0.000011385 0.000014023 -0.000010648 -0.000009048 -0.000031691 -0.000019968 0.000008215 -0.000000662 0.000017016 -0.000038858 0.000036535 -0.000001408 -0.000007215 -0.000012727 -0.000002014 -0.000011236 0.000001190 0.000008700 -0.000003242 -0.000006698 -0.000003520 0.000001409 0.000002547 -0.000008909 -0.000001712 -0.000003144 -0.000000645 0.000006154 0.000002611 -0.000003180 -0.000007293 0.000003759 -0.000034265 -0.000000173 -0.000021003 0.000000885 0.000024298 -0.000004146 -0.000056251 0.000066023 -0.000034209 0.000005672 -0.000005142 0.000000654 0.000005258 0.000003309 0.000008782 0.000006800 0.000006483 0.000014369 0.000007462 -0.000004330 0.000002462 0.000001176 -0.000002406 -0.000000394 -0.000008643 0.000007464 -0.000002662 -0.000011770 0.000006302 -0.000001792 -0.000001532 0.000005122 -0.000004998 -0.000000892 0.000001249 -0.000001144 -0.000000529 0.000002390 0.000005435 0.000003783 0.000005594 -0.000001152 0.000002285 0.000001762 -0.000005377 0.000004559 -0.000000286 0.000000471 -0.000002075 -0.000002753 -0.000001585 0.000000207 -0.000002724 0.000003594 -0.000006115 -0.000013088 -0.000013562 0.000005331 0.000000867 0.000000718 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 3-Sep-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C15H17Cl2N3O2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/propiconazole_RR/gas/CONF130/ #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 propiconazole_RR CONF130 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 35 35 16 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 1 1 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 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 1 1 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2175.9756459188 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0488291600 0.000000 5.381188 0.000000 3.007570 6.742835 0.000000 4.585735 6.693942 2.268272 0.000000 4.488551 8.239889 2.843106 2.851920 0.000000 5.786892 9.067375 3.951910 3.259372 1.359226 0.000000 6.006593 10.284934 4.073659 4.434538 2.193856 2.265269 0.000000 3.207873 6.095157 1.420551 1.410388 2.473488 3.401047 4.307736 0.000000 4.325178 7.469275 1.443947 2.322357 3.585396 4.376645 4.341719 2.341733 0.000000 5.013405 7.082267 2.328281 1.429063 3.814919 4.269552 4.912926 2.280531 1.532185 0.000000 4.616757 7.558302 2.436576 3.661843 4.999017 5.876335 5.583388 3.534833 1.526026 2.599808 0.000000 3.482106 6.819208 2.425637 2.384328 1.447809 2.449619 3.602879 1.539860 3.502885 3.554483 4.806482 0.000000 2.774897 4.558691 2.431077 2.434508 3.822170 4.731169 5.781327 1.537736 3.349383 3.118442 4.096676 2.532679 0.000000 4.175468 6.349872 2.933417 4.106416 5.749448 6.731227 6.728367 3.765713 2.581759 3.218012 1.533437 5.175475 3.713769 0.000000 1.761301 4.011596 2.999399 3.750328 4.583632 5.680433 6.459483 2.595194 4.123453 4.271220 4.537348 3.272932 1.401023 3.864382 0.000000 4.043936 4.012925 3.577510 2.741843 4.736543 5.365877 6.743031 2.527765 4.132669 3.393338 4.832058 3.481920 1.398145 4.314248 2.389869 0.000000 5.171560 7.019024 4.355052 5.619173 7.181442 8.188222 7.975511 5.279440 3.930089 4.626059 2.542916 6.649923 5.125178 1.530922 5.045238 5.656118 0.000000 2.682974 2.717009 4.325953 4.858616 5.909855 6.942490 7.839814 3.873729 5.316567 5.316154 5.527495 4.538201 2.439888 4.546934 1.393066 2.773380 5.487324 0.000000 4.541682 2.727238 4.750536 4.121274 6.030174 6.683617 8.076720 3.829351 5.324095 4.632166 5.775380 4.693298 2.441724 4.941148 2.782597 1.390149 6.061947 2.418824 0.000000 4.688307 9.074303 2.968903 3.688965 1.352773 2.214957 1.320556 3.228971 3.574844 4.261105 4.809966 2.525933 4.625848 5.766299 5.188673 5.707827 7.055445 6.570196 6.991606 0.000000 3.987174 1.754508 5.035289 4.991073 6.515121 7.363636 8.544461 4.340807 5.810068 5.448837 6.062636 5.111982 2.804252 5.027066 2.398508 2.391682 5.967462 1.389344 1.389740 7.346524 0.000000 6.503485 10.215417 4.490718 4.150376 2.090313 1.321499 1.363840 4.311607 4.715385 4.858556 6.131657 3.483042 5.761050 7.206409 6.639212 6.498453 8.569305 7.966705 7.847213 2.096518 8.485882 0.000000 4.982506 8.504509 2.056065 2.805157 3.379576 4.025392 3.585719 2.954470 1.095694 2.160396 2.161050 3.741029 4.219546 3.508691 5.002920 5.039912 4.697079 6.271514 6.301131 3.080282 6.816413 4.070795 0.000000 5.129116 6.414667 2.884127 2.082551 4.728549 5.232712 5.975086 2.763973 2.193633 1.095649 2.705494 4.209220 3.052843 2.832009 4.134797 3.021815 4.160599 4.948680 4.054567 5.237808 4.898651 5.915547 3.049218 0.000000 6.050701 8.021928 3.227919 2.045285 4.196160 4.347022 4.957975 3.181743 2.202660 1.089223 3.193922 4.226486 4.131454 4.037434 5.338325 4.260786 5.311988 6.373361 5.491102 4.585290 6.421821 4.773819 2.379142 1.786051 0.000000 5.700937 8.247204 3.365840 4.128226 5.685601 6.388205 6.073068 4.324174 2.135690 2.823654 1.097822 5.615739 4.925440 2.174441 5.497461 5.459699 2.790086 6.421900 6.389645 5.486263 6.807073 6.552600 2.507331 2.849150 3.080932 0.000000 4.628489 8.194428 2.746354 4.412467 5.174836 6.143805 5.460069 4.074060 2.135574 3.505853 1.095227 5.132133 4.720367 2.155080 4.950519 5.645971 2.752631 5.986787 6.580613 4.712154 6.712198 6.231558 2.391908 3.760102 4.046814 1.753072 0.000000 4.190523 6.703196 3.353710 2.611957 2.058934 2.513194 4.224671 2.158226 4.292820 3.988086 5.635232 1.088639 2.789893 5.911349 3.654279 3.352781 7.416118 4.727417 4.496063 3.350503 5.066463 3.765547 4.565117 4.551733 4.564496 6.372605 6.079352 0.000000 2.775379 6.648052 2.725846 3.323569 2.083009 3.236200 4.006786 2.159336 4.047818 4.361520 5.153406 1.089296 2.727024 5.370215 2.973175 3.867254 6.753415 4.206166 4.887409 2.798740 5.011702 4.124368 4.328922 4.920913 5.139945 6.085487 5.324217 1.777550 0.000000 3.127592 5.760543 2.571354 4.069301 5.379285 6.493232 6.532827 3.369629 2.795682 3.536544 2.148323 4.653585 3.128442 1.092783 2.973842 3.954898 2.163205 3.690161 4.529343 5.430682 4.397068 7.047352 3.742900 3.264335 4.507663 3.064326 2.497458 5.419615 4.658776 0.000000 4.569849 5.805271 3.262790 3.809048 5.922324 6.780180 7.106900 3.708368 2.842648 2.913533 2.172645 5.224108 3.449348 1.095153 3.816294 3.698598 2.156180 4.344480 4.242502 6.163496 4.522540 7.390036 3.867457 2.193587 3.718867 2.535682 3.067785 5.788682 5.546855 1.750883 0.000000 4.905188 4.870102 3.824560 2.320537 4.653466 5.030587 6.580121 2.676771 4.106351 3.023235 4.970260 3.595809 2.133136 4.689651 3.367319 1.082272 6.076740 3.855625 2.143206 5.703712 3.374714 6.165609 4.909017 2.705100 3.680601 5.433468 5.872382 3.319512 4.241912 4.539354 3.981031 0.000000 5.281812 6.419641 4.984823 6.164666 7.823838 8.866011 8.807267 5.746058 4.750630 5.290540 3.496396 7.122662 5.298434 2.179479 5.035027 5.706021 1.093157 5.195447 5.857802 7.803808 5.599494 9.356328 5.616056 4.674949 6.050387 3.796852 3.757144 7.818590 7.148486 2.506950 2.494201 6.240579 0.000000 5.182404 7.690209 4.552421 6.150542 7.319593 8.398177 7.908991 5.667006 4.228829 5.210241 2.801445 6.899611 5.642010 2.178185 5.420177 6.370157 1.094497 5.944529 6.833080 7.006167 6.621399 8.659582 4.834070 4.930449 5.887407 3.142349 2.561621 7.768129 6.892217 2.524139 3.073182 6.842110 1.766469 0.000000 6.171845 7.735153 4.975483 5.975977 7.724823 8.616682 8.384006 5.874167 4.253441 4.800136 2.813596 7.296718 5.829609 2.182343 5.933087 6.216133 1.094767 6.382704 6.651181 7.585577 6.714613 8.934016 4.922467 4.288683 5.294903 2.614581 3.116902 8.029607 7.524267 3.080540 2.525187 6.483286 1.767328 1.766708 0.000000 2.787560 2.859357 5.016261 5.833153 6.626234 7.737437 8.473062 4.744165 6.064558 6.240942 6.125947 5.293478 3.415651 5.065286 2.150822 3.854444 5.793883 1.081078 3.399513 7.169387 2.152113 8.708801 6.993169 5.886397 7.316842 7.061888 6.445566 5.549879 4.783037 4.123043 5.008596 4.936672 5.387363 6.121966 6.764360 0.000000 5.623327 2.871703 5.660642 4.723854 6.819995 7.326042 8.863538 4.683539 6.080116 5.188000 6.522419 5.531969 3.420785 5.685222 3.864562 2.155844 6.735713 3.398406 1.081974 7.849033 2.150271 8.518553 7.044384 4.516174 5.916865 7.013081 7.405211 5.201094 5.823102 5.409589 4.853165 2.481422 6.482931 7.593126 7.210634 4.292679 0.000000 4.068774 8.863780 2.690475 4.061658 2.135545 3.239015 2.150764 3.320239 3.447098 4.450513 4.423863 2.848922 4.562596 5.305402 4.870602 5.798366 6.479457 6.243378 6.999296 1.077952 7.172710 3.154864 3.052774 5.328149 4.930999 5.213464 4.137916 3.844604 2.803780 4.878756 5.861120 5.968136 7.212590 6.304043 7.091166 6.721396 7.937489 0.000000 7.577232 11.129109 5.489407 4.927213 3.130863 2.099713 2.154304 5.271238 5.565180 5.582755 6.970832 4.470218 6.710980 8.110846 7.655170 7.337183 9.458835 8.963157 8.688481 3.137566 9.410185 1.079248 4.848461 6.641965 5.319989 7.277550 7.089549 4.608376 5.147914 8.025711 8.251751 6.896016 10.276614 9.566085 9.748227 9.734407 9.286482 4.167789 0.000000 C15H17Cl2N3O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3654683 0.1569357 0.1369070 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= 602 RedAO= T EigKep= 2.33D-06 NBF= 602 NBsUse= 599 1.00D-06 EigRej= 7.38D-07 NBFU= 599 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= 616 616 616 616 616 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1817.24413136415 -1817.24413136 1 1.811394749178e+03 -8.627669492275e+03 2.823103794974e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 6606028800 LenX= 6605233232 LenY= 6604843232 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. PT893.300S Fri Sep 3 20:33:13 2021 GINC-DUBNIO PAULAPLA 03-Sep-2021 0 Wavefunction propiconazole_RR CONF130 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1817.2441314 RMSD=7.135e-09 Dipole=-0.9248878,-0.9003102,-0.6639306 Quadrupole=3.6771906,-10.8118985,7.1347078,-6.2051015,2.1638545,-3.9703826 PG=C01 [X(C15H17Cl2N3O2)] 0 -0.0731068782 -0.9697766185 2.369716756 0 0.3653731377 -5.344091564 -0.7335546778 0 -0.6406089556 1.2269904802 0.3954742729 0 0.4716291921 1.2952411221 -1.5802097397 0 1.80551195 2.6694989365 0.532991916 0 2.5581675215 3.4431150353 -0.2931575969 0 1.3131308518 4.733161522 1.09143857 0 0.5031608419 0.7331280564 -0.287062917 0 -1.5222605716 1.8802180933 -0.5431246598 0 -0.9023009903 1.5256949473 -1.8986887986 0 -2.9623077042 1.4293715852 -0.3156229978 0 1.7849923964 1.2271875204 0.4086257643 0 0.4724527202 -0.8031742363 -0.3459161857 0 -3.1716136287 -0.0894466796 -0.287124383 0 0.2168171343 -1.6239907374 0.7603285407 0 0.7221902919 -1.4351008153 -1.5678452026 0 -4.6313029199 -0.4663995939 -0.0207841601 0 0.183377236 -3.0121933026 0.6489314517 0 0.6953793978 -2.8179982357 -1.7070929773 0 1.0686323749 3.460659644 1.346052441 0 0.4175411006 -3.5962666925 -0.5897377512 0 2.2299204339 4.6664006801 0.0839165905 0 -1.4372427529 2.959385722 -0.3736717158 0 -1.3504502551 0.6258946496 -2.3345431612 0 -0.9459303645 2.3422459701 -2.6182352342 0 -3.585234136 1.8862591809 -1.0956413479 0 -3.3036893226 1.8541995652 0.6343774791 0 2.6495691694 0.9339407865 -0.1843734311 0 1.8538681516 0.7748188148 1.3971525041 0 -2.5292148834 -0.515586619 0.4874098583 0 -2.8500087291 -0.5365624214 -1.2337065346 0 0.9375960903 -0.8141519022 -2.427691765 0 -4.7609928211 -1.5514827923 0.0069043096 0 -4.9715312568 -0.066008675 0.9393488234 0 -5.293281815 -0.0707547223 -0.7978072309 0 -0.0225973108 -3.6231385077 1.5167162223 0 0.8860595792 -3.2836692808 -2.6649335709 0 0.3820436392 3.0627478055 2.0756025763 0 2.6684830267 5.5382571968 -0.3768483182 Gaussian 16 3-Sep-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C15H17Cl2N3O2)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=checkguess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/propiconazole_RR/gas/CONF130/ #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 propiconazole_RR CONF130 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 35 35 16 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 1 1 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 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 1 1 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 624 A 602 A 602 962 624 89 89 2175.9756459188 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0488291600 0.000000 5.381188 0.000000 3.007570 6.742835 0.000000 4.585735 6.693942 2.268272 0.000000 4.488551 8.239889 2.843106 2.851920 0.000000 5.786892 9.067375 3.951910 3.259372 1.359226 0.000000 6.006593 10.284934 4.073659 4.434538 2.193856 2.265269 0.000000 3.207873 6.095157 1.420551 1.410388 2.473488 3.401047 4.307736 0.000000 4.325178 7.469275 1.443947 2.322357 3.585396 4.376645 4.341719 2.341733 0.000000 5.013405 7.082267 2.328281 1.429063 3.814919 4.269552 4.912926 2.280531 1.532185 0.000000 4.616757 7.558302 2.436576 3.661843 4.999017 5.876335 5.583388 3.534833 1.526026 2.599808 0.000000 3.482106 6.819208 2.425637 2.384328 1.447809 2.449619 3.602879 1.539860 3.502885 3.554483 4.806482 0.000000 2.774897 4.558691 2.431077 2.434508 3.822170 4.731169 5.781327 1.537736 3.349383 3.118442 4.096676 2.532679 0.000000 4.175468 6.349872 2.933417 4.106416 5.749448 6.731227 6.728367 3.765713 2.581759 3.218012 1.533437 5.175475 3.713769 0.000000 1.761301 4.011596 2.999399 3.750328 4.583632 5.680433 6.459483 2.595194 4.123453 4.271220 4.537348 3.272932 1.401023 3.864382 0.000000 4.043936 4.012925 3.577510 2.741843 4.736543 5.365877 6.743031 2.527765 4.132669 3.393338 4.832058 3.481920 1.398145 4.314248 2.389869 0.000000 5.171560 7.019024 4.355052 5.619173 7.181442 8.188222 7.975511 5.279440 3.930089 4.626059 2.542916 6.649923 5.125178 1.530922 5.045238 5.656118 0.000000 2.682974 2.717009 4.325953 4.858616 5.909855 6.942490 7.839814 3.873729 5.316567 5.316154 5.527495 4.538201 2.439888 4.546934 1.393066 2.773380 5.487324 0.000000 4.541682 2.727238 4.750536 4.121274 6.030174 6.683617 8.076720 3.829351 5.324095 4.632166 5.775380 4.693298 2.441724 4.941148 2.782597 1.390149 6.061947 2.418824 0.000000 4.688307 9.074303 2.968903 3.688965 1.352773 2.214957 1.320556 3.228971 3.574844 4.261105 4.809966 2.525933 4.625848 5.766299 5.188673 5.707827 7.055445 6.570196 6.991606 0.000000 3.987174 1.754508 5.035289 4.991073 6.515121 7.363636 8.544461 4.340807 5.810068 5.448837 6.062636 5.111982 2.804252 5.027066 2.398508 2.391682 5.967462 1.389344 1.389740 7.346524 0.000000 6.503485 10.215417 4.490718 4.150376 2.090313 1.321499 1.363840 4.311607 4.715385 4.858556 6.131657 3.483042 5.761050 7.206409 6.639212 6.498453 8.569305 7.966705 7.847213 2.096518 8.485882 0.000000 4.982506 8.504509 2.056065 2.805157 3.379576 4.025392 3.585719 2.954470 1.095694 2.160396 2.161050 3.741029 4.219546 3.508691 5.002920 5.039912 4.697079 6.271514 6.301131 3.080282 6.816413 4.070795 0.000000 5.129116 6.414667 2.884127 2.082551 4.728549 5.232712 5.975086 2.763973 2.193633 1.095649 2.705494 4.209220 3.052843 2.832009 4.134797 3.021815 4.160599 4.948680 4.054567 5.237808 4.898651 5.915547 3.049218 0.000000 6.050701 8.021928 3.227919 2.045285 4.196160 4.347022 4.957975 3.181743 2.202660 1.089223 3.193922 4.226486 4.131454 4.037434 5.338325 4.260786 5.311988 6.373361 5.491102 4.585290 6.421821 4.773819 2.379142 1.786051 0.000000 5.700937 8.247204 3.365840 4.128226 5.685601 6.388205 6.073068 4.324174 2.135690 2.823654 1.097822 5.615739 4.925440 2.174441 5.497461 5.459699 2.790086 6.421900 6.389645 5.486263 6.807073 6.552600 2.507331 2.849150 3.080932 0.000000 4.628489 8.194428 2.746354 4.412467 5.174836 6.143805 5.460069 4.074060 2.135574 3.505853 1.095227 5.132133 4.720367 2.155080 4.950519 5.645971 2.752631 5.986787 6.580613 4.712154 6.712198 6.231558 2.391908 3.760102 4.046814 1.753072 0.000000 4.190523 6.703196 3.353710 2.611957 2.058934 2.513194 4.224671 2.158226 4.292820 3.988086 5.635232 1.088639 2.789893 5.911349 3.654279 3.352781 7.416118 4.727417 4.496063 3.350503 5.066463 3.765547 4.565117 4.551733 4.564496 6.372605 6.079352 0.000000 2.775379 6.648052 2.725846 3.323569 2.083009 3.236200 4.006786 2.159336 4.047818 4.361520 5.153406 1.089296 2.727024 5.370215 2.973175 3.867254 6.753415 4.206166 4.887409 2.798740 5.011702 4.124368 4.328922 4.920913 5.139945 6.085487 5.324217 1.777550 0.000000 3.127592 5.760543 2.571354 4.069301 5.379285 6.493232 6.532827 3.369629 2.795682 3.536544 2.148323 4.653585 3.128442 1.092783 2.973842 3.954898 2.163205 3.690161 4.529343 5.430682 4.397068 7.047352 3.742900 3.264335 4.507663 3.064326 2.497458 5.419615 4.658776 0.000000 4.569849 5.805271 3.262790 3.809048 5.922324 6.780180 7.106900 3.708368 2.842648 2.913533 2.172645 5.224108 3.449348 1.095153 3.816294 3.698598 2.156180 4.344480 4.242502 6.163496 4.522540 7.390036 3.867457 2.193587 3.718867 2.535682 3.067785 5.788682 5.546855 1.750883 0.000000 4.905188 4.870102 3.824560 2.320537 4.653466 5.030587 6.580121 2.676771 4.106351 3.023235 4.970260 3.595809 2.133136 4.689651 3.367319 1.082272 6.076740 3.855625 2.143206 5.703712 3.374714 6.165609 4.909017 2.705100 3.680601 5.433468 5.872382 3.319512 4.241912 4.539354 3.981031 0.000000 5.281812 6.419641 4.984823 6.164666 7.823838 8.866011 8.807267 5.746058 4.750630 5.290540 3.496396 7.122662 5.298434 2.179479 5.035027 5.706021 1.093157 5.195447 5.857802 7.803808 5.599494 9.356328 5.616056 4.674949 6.050387 3.796852 3.757144 7.818590 7.148486 2.506950 2.494201 6.240579 0.000000 5.182404 7.690209 4.552421 6.150542 7.319593 8.398177 7.908991 5.667006 4.228829 5.210241 2.801445 6.899611 5.642010 2.178185 5.420177 6.370157 1.094497 5.944529 6.833080 7.006167 6.621399 8.659582 4.834070 4.930449 5.887407 3.142349 2.561621 7.768129 6.892217 2.524139 3.073182 6.842110 1.766469 0.000000 6.171845 7.735153 4.975483 5.975977 7.724823 8.616682 8.384006 5.874167 4.253441 4.800136 2.813596 7.296718 5.829609 2.182343 5.933087 6.216133 1.094767 6.382704 6.651181 7.585577 6.714613 8.934016 4.922467 4.288683 5.294903 2.614581 3.116902 8.029607 7.524267 3.080540 2.525187 6.483286 1.767328 1.766708 0.000000 2.787560 2.859357 5.016261 5.833153 6.626234 7.737437 8.473062 4.744165 6.064558 6.240942 6.125947 5.293478 3.415651 5.065286 2.150822 3.854444 5.793883 1.081078 3.399513 7.169387 2.152113 8.708801 6.993169 5.886397 7.316842 7.061888 6.445566 5.549879 4.783037 4.123043 5.008596 4.936672 5.387363 6.121966 6.764360 0.000000 5.623327 2.871703 5.660642 4.723854 6.819995 7.326042 8.863538 4.683539 6.080116 5.188000 6.522419 5.531969 3.420785 5.685222 3.864562 2.155844 6.735713 3.398406 1.081974 7.849033 2.150271 8.518553 7.044384 4.516174 5.916865 7.013081 7.405211 5.201094 5.823102 5.409589 4.853165 2.481422 6.482931 7.593126 7.210634 4.292679 0.000000 4.068774 8.863780 2.690475 4.061658 2.135545 3.239015 2.150764 3.320239 3.447098 4.450513 4.423863 2.848922 4.562596 5.305402 4.870602 5.798366 6.479457 6.243378 6.999296 1.077952 7.172710 3.154864 3.052774 5.328149 4.930999 5.213464 4.137916 3.844604 2.803780 4.878756 5.861120 5.968136 7.212590 6.304043 7.091166 6.721396 7.937489 0.000000 7.577232 11.129109 5.489407 4.927213 3.130863 2.099713 2.154304 5.271238 5.565180 5.582755 6.970832 4.470218 6.710980 8.110846 7.655170 7.337183 9.458835 8.963157 8.688481 3.137566 9.410185 1.079248 4.848461 6.641965 5.319989 7.277550 7.089549 4.608376 5.147914 8.025711 8.251751 6.896016 10.276614 9.566085 9.748227 9.734407 9.286482 4.167789 0.000000 C15H17Cl2N3O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3654683 0.1569357 0.1369070 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= 602 RedAO= T EigKep= 2.33D-06 NBF= 602 NBsUse= 599 1.00D-06 EigRej= 7.38D-07 NBFU= 599 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= 616 616 616 616 616 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1817.24413136415 -1817.24413136 1 1.811394749178e+03 -8.627669492275e+03 2.823103794974e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 6606028800 LenX= 6605233232 LenY= 6604843232 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 4.9583 250.06 0.0035 0.000 85 90 -0.11546 86 90 -0.31307 87 90 0.22238 88 90 0.11210 88 91 -0.28734 89 91 0.47072 -1817.06191812 2 Singlet-A 5.3346 232.42 0.0875 0.000 88 90 0.20774 89 90 0.64879 3 Singlet-A 5.4620 226.99 0.0022 0.000 85 91 -0.15118 87 91 -0.14382 88 91 0.51741 89 91 0.40858 4 Singlet-A 5.4772 226.36 0.0299 0.000 84 90 0.11466 85 90 -0.35828 86 91 -0.14366 87 90 -0.34257 87 91 0.11076 88 90 0.41037 89 90 -0.15938 5 Singlet-A 5.5989 221.44 0.0176 0.000 85 90 0.36054 86 91 -0.17014 87 90 0.25209 87 91 0.22948 88 90 0.41295 88 91 0.16247 6 Singlet-A 5.6253 220.41 0.0080 0.000 84 91 -0.13880 85 91 0.47491 87 90 -0.11208 87 91 0.39080 88 90 -0.17799 89 91 0.19100 7 Singlet-A 5.7691 214.91 0.0007 0.000 85 90 -0.34886 86 90 0.41498 87 90 0.40072 87 93 -0.10003 8 Singlet-A 5.8020 213.69 0.0016 0.000 88 92 -0.37317 89 92 0.57076 9 Singlet-A 5.8643 211.42 0.0011 0.000 85 91 -0.36193 86 91 0.43937 87 91 0.40923 10 Singlet-A 5.9994 206.66 0.0478 0.000 83 90 0.63276 83 91 -0.12546 86 90 0.14137 87 90 -0.10127 88 91 -0.11619 PT51785.200S Fri Sep 3 21:27:25 2021 GINC-DUBNIO PAULAPLA 03-Sep-2021 0 Electronic spectrum propiconazole_RR CONF130 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1817.2441314 RMSD=6.919e-09 PG=C01 [X(C15H17Cl2N3O2)] 0 -0.0731068782 -0.9697766185 2.369716756 0 0.3653731377 -5.344091564 -0.7335546778 0 -0.6406089556 1.2269904802 0.3954742729 0 0.4716291921 1.2952411221 -1.5802097397 0 1.80551195 2.6694989365 0.532991916 0 2.5581675215 3.4431150353 -0.2931575969 0 1.3131308518 4.733161522 1.09143857 0 0.5031608419 0.7331280564 -0.287062917 0 -1.5222605716 1.8802180933 -0.5431246598 0 -0.9023009903 1.5256949473 -1.8986887986 0 -2.9623077042 1.4293715852 -0.3156229978 0 1.7849923964 1.2271875204 0.4086257643 0 0.4724527202 -0.8031742363 -0.3459161857 0 -3.1716136287 -0.0894466796 -0.287124383 0 0.2168171343 -1.6239907374 0.7603285407 0 0.7221902919 -1.4351008153 -1.5678452026 0 -4.6313029199 -0.4663995939 -0.0207841601 0 0.183377236 -3.0121933026 0.6489314517 0 0.6953793978 -2.8179982357 -1.7070929773 0 1.0686323749 3.460659644 1.346052441 0 0.4175411006 -3.5962666925 -0.5897377512 0 2.2299204339 4.6664006801 0.0839165905 0 -1.4372427529 2.959385722 -0.3736717158 0 -1.3504502551 0.6258946496 -2.3345431612 0 -0.9459303645 2.3422459701 -2.6182352342 0 -3.585234136 1.8862591809 -1.0956413479 0 -3.3036893226 1.8541995652 0.6343774791 0 2.6495691694 0.9339407865 -0.1843734311 0 1.8538681516 0.7748188148 1.3971525041 0 -2.5292148834 -0.515586619 0.4874098583 0 -2.8500087291 -0.5365624214 -1.2337065346 0 0.9375960903 -0.8141519022 -2.427691765 0 -4.7609928211 -1.5514827923 0.0069043096 0 -4.9715312568 -0.066008675 0.9393488234 0 -5.293281815 -0.0707547223 -0.7978072309 0 -0.0225973108 -3.6231385077 1.5167162223 0 0.8860595792 -3.2836692808 -2.6649335709 0 0.3820436392 3.0627478055 2.0756025763 0 2.6684830267 5.5382571968 -0.3768483182 Gaussian 16 3-Sep-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 111 C1[X(C15H17Cl2N3O2)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=checkguess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/propiconazole_RR/gas/CONF130/ #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 propiconazole_RR CONF130 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 35 35 16 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 1 1 34.9688527 34.9688527 15.9949146 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 3 3 0 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 1 1 14.2400000 14.2400000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1159 A 1027 A 1027 1497 1159 89 89 2175.9756459188 39 39 39 1.00e+00 60 F IExCor= 402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX= 0.200000 ScaDFX= 0.800000 0.720000 1.000000 0.810000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=131 Grimme-D3 -0.0488291600 0.000000 5.381188 0.000000 3.007570 6.742835 0.000000 4.585735 6.693942 2.268272 0.000000 4.488551 8.239889 2.843106 2.851920 0.000000 5.786892 9.067375 3.951910 3.259372 1.359226 0.000000 6.006593 10.284934 4.073659 4.434538 2.193856 2.265269 0.000000 3.207873 6.095157 1.420551 1.410388 2.473488 3.401047 4.307736 0.000000 4.325178 7.469275 1.443947 2.322357 3.585396 4.376645 4.341719 2.341733 0.000000 5.013405 7.082267 2.328281 1.429063 3.814919 4.269552 4.912926 2.280531 1.532185 0.000000 4.616757 7.558302 2.436576 3.661843 4.999017 5.876335 5.583388 3.534833 1.526026 2.599808 0.000000 3.482106 6.819208 2.425637 2.384328 1.447809 2.449619 3.602879 1.539860 3.502885 3.554483 4.806482 0.000000 2.774897 4.558691 2.431077 2.434508 3.822170 4.731169 5.781327 1.537736 3.349383 3.118442 4.096676 2.532679 0.000000 4.175468 6.349872 2.933417 4.106416 5.749448 6.731227 6.728367 3.765713 2.581759 3.218012 1.533437 5.175475 3.713769 0.000000 1.761301 4.011596 2.999399 3.750328 4.583632 5.680433 6.459483 2.595194 4.123453 4.271220 4.537348 3.272932 1.401023 3.864382 0.000000 4.043936 4.012925 3.577510 2.741843 4.736543 5.365877 6.743031 2.527765 4.132669 3.393338 4.832058 3.481920 1.398145 4.314248 2.389869 0.000000 5.171560 7.019024 4.355052 5.619173 7.181442 8.188222 7.975511 5.279440 3.930089 4.626059 2.542916 6.649923 5.125178 1.530922 5.045238 5.656118 0.000000 2.682974 2.717009 4.325953 4.858616 5.909855 6.942490 7.839814 3.873729 5.316567 5.316154 5.527495 4.538201 2.439888 4.546934 1.393066 2.773380 5.487324 0.000000 4.541682 2.727238 4.750536 4.121274 6.030174 6.683617 8.076720 3.829351 5.324095 4.632166 5.775380 4.693298 2.441724 4.941148 2.782597 1.390149 6.061947 2.418824 0.000000 4.688307 9.074303 2.968903 3.688965 1.352773 2.214957 1.320556 3.228971 3.574844 4.261105 4.809966 2.525933 4.625848 5.766299 5.188673 5.707827 7.055445 6.570196 6.991606 0.000000 3.987174 1.754508 5.035289 4.991073 6.515121 7.363636 8.544461 4.340807 5.810068 5.448837 6.062636 5.111982 2.804252 5.027066 2.398508 2.391682 5.967462 1.389344 1.389740 7.346524 0.000000 6.503485 10.215417 4.490718 4.150376 2.090313 1.321499 1.363840 4.311607 4.715385 4.858556 6.131657 3.483042 5.761050 7.206409 6.639212 6.498453 8.569305 7.966705 7.847213 2.096518 8.485882 0.000000 4.982506 8.504509 2.056065 2.805157 3.379576 4.025392 3.585719 2.954470 1.095694 2.160396 2.161050 3.741029 4.219546 3.508691 5.002920 5.039912 4.697079 6.271514 6.301131 3.080282 6.816413 4.070795 0.000000 5.129116 6.414667 2.884127 2.082551 4.728549 5.232712 5.975086 2.763973 2.193633 1.095649 2.705494 4.209220 3.052843 2.832009 4.134797 3.021815 4.160599 4.948680 4.054567 5.237808 4.898651 5.915547 3.049218 0.000000 6.050701 8.021928 3.227919 2.045285 4.196160 4.347022 4.957975 3.181743 2.202660 1.089223 3.193922 4.226486 4.131454 4.037434 5.338325 4.260786 5.311988 6.373361 5.491102 4.585290 6.421821 4.773819 2.379142 1.786051 0.000000 5.700937 8.247204 3.365840 4.128226 5.685601 6.388205 6.073068 4.324174 2.135690 2.823654 1.097822 5.615739 4.925440 2.174441 5.497461 5.459699 2.790086 6.421900 6.389645 5.486263 6.807073 6.552600 2.507331 2.849150 3.080932 0.000000 4.628489 8.194428 2.746354 4.412467 5.174836 6.143805 5.460069 4.074060 2.135574 3.505853 1.095227 5.132133 4.720367 2.155080 4.950519 5.645971 2.752631 5.986787 6.580613 4.712154 6.712198 6.231558 2.391908 3.760102 4.046814 1.753072 0.000000 4.190523 6.703196 3.353710 2.611957 2.058934 2.513194 4.224671 2.158226 4.292820 3.988086 5.635232 1.088639 2.789893 5.911349 3.654279 3.352781 7.416118 4.727417 4.496063 3.350503 5.066463 3.765547 4.565117 4.551733 4.564496 6.372605 6.079352 0.000000 2.775379 6.648052 2.725846 3.323569 2.083009 3.236200 4.006786 2.159336 4.047818 4.361520 5.153406 1.089296 2.727024 5.370215 2.973175 3.867254 6.753415 4.206166 4.887409 2.798740 5.011702 4.124368 4.328922 4.920913 5.139945 6.085487 5.324217 1.777550 0.000000 3.127592 5.760543 2.571354 4.069301 5.379285 6.493232 6.532827 3.369629 2.795682 3.536544 2.148323 4.653585 3.128442 1.092783 2.973842 3.954898 2.163205 3.690161 4.529343 5.430682 4.397068 7.047352 3.742900 3.264335 4.507663 3.064326 2.497458 5.419615 4.658776 0.000000 4.569849 5.805271 3.262790 3.809048 5.922324 6.780180 7.106900 3.708368 2.842648 2.913533 2.172645 5.224108 3.449348 1.095153 3.816294 3.698598 2.156180 4.344480 4.242502 6.163496 4.522540 7.390036 3.867457 2.193587 3.718867 2.535682 3.067785 5.788682 5.546855 1.750883 0.000000 4.905188 4.870102 3.824560 2.320537 4.653466 5.030587 6.580121 2.676771 4.106351 3.023235 4.970260 3.595809 2.133136 4.689651 3.367319 1.082272 6.076740 3.855625 2.143206 5.703712 3.374714 6.165609 4.909017 2.705100 3.680601 5.433468 5.872382 3.319512 4.241912 4.539354 3.981031 0.000000 5.281812 6.419641 4.984823 6.164666 7.823838 8.866011 8.807267 5.746058 4.750630 5.290540 3.496396 7.122662 5.298434 2.179479 5.035027 5.706021 1.093157 5.195447 5.857802 7.803808 5.599494 9.356328 5.616056 4.674949 6.050387 3.796852 3.757144 7.818590 7.148486 2.506950 2.494201 6.240579 0.000000 5.182404 7.690209 4.552421 6.150542 7.319593 8.398177 7.908991 5.667006 4.228829 5.210241 2.801445 6.899611 5.642010 2.178185 5.420177 6.370157 1.094497 5.944529 6.833080 7.006167 6.621399 8.659582 4.834070 4.930449 5.887407 3.142349 2.561621 7.768129 6.892217 2.524139 3.073182 6.842110 1.766469 0.000000 6.171845 7.735153 4.975483 5.975977 7.724823 8.616682 8.384006 5.874167 4.253441 4.800136 2.813596 7.296718 5.829609 2.182343 5.933087 6.216133 1.094767 6.382704 6.651181 7.585577 6.714613 8.934016 4.922467 4.288683 5.294903 2.614581 3.116902 8.029607 7.524267 3.080540 2.525187 6.483286 1.767328 1.766708 0.000000 2.787560 2.859357 5.016261 5.833153 6.626234 7.737437 8.473062 4.744165 6.064558 6.240942 6.125947 5.293478 3.415651 5.065286 2.150822 3.854444 5.793883 1.081078 3.399513 7.169387 2.152113 8.708801 6.993169 5.886397 7.316842 7.061888 6.445566 5.549879 4.783037 4.123043 5.008596 4.936672 5.387363 6.121966 6.764360 0.000000 5.623327 2.871703 5.660642 4.723854 6.819995 7.326042 8.863538 4.683539 6.080116 5.188000 6.522419 5.531969 3.420785 5.685222 3.864562 2.155844 6.735713 3.398406 1.081974 7.849033 2.150271 8.518553 7.044384 4.516174 5.916865 7.013081 7.405211 5.201094 5.823102 5.409589 4.853165 2.481422 6.482931 7.593126 7.210634 4.292679 0.000000 4.068774 8.863780 2.690475 4.061658 2.135545 3.239015 2.150764 3.320239 3.447098 4.450513 4.423863 2.848922 4.562596 5.305402 4.870602 5.798366 6.479457 6.243378 6.999296 1.077952 7.172710 3.154864 3.052774 5.328149 4.930999 5.213464 4.137916 3.844604 2.803780 4.878756 5.861120 5.968136 7.212590 6.304043 7.091166 6.721396 7.937489 0.000000 7.577232 11.129109 5.489407 4.927213 3.130863 2.099713 2.154304 5.271238 5.565180 5.582755 6.970832 4.470218 6.710980 8.110846 7.655170 7.337183 9.458835 8.963157 8.688481 3.137566 9.410185 1.079248 4.848461 6.641965 5.319989 7.277550 7.089549 4.608376 5.147914 8.025711 8.251751 6.896016 10.276614 9.566085 9.748227 9.734407 9.286482 4.167789 0.000000 C15H17Cl2N3O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 325.08539999999977 AuxInfo=1/0/N:17,14,11,19,16,18,10,12,22,20,21,9,13,15,8,2,1,7,6,5,4,3/CRV:4.3,5.3,6.3,9.3,10.3,11.3,13.3,14.3,18.2,19.2/rA:39ClClOONN2N2CCCCCC3CC3C3CC3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;s5;;s3s4;s3;s4s9;s9;s5s8;s8;s11;s1s13;s13;s14;s15;s16;s5s7;s2s18s19;s6s7;s9;s10;s10;s11;s11;s12;s12;s14;s14;s16;s17;s17;s17;s18;s19;s20;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3654683 0.1569357 0.1369070 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= 1027 RedAO= T EigKep= 1.03D-06 NBF= 1027 NBsUse= 1024 1.00D-06 EigRej= 4.54D-07 NBFU= 1024 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= 1133 1133 1133 1133 1133 MxSgAt= 39 MxSgA2= 39. 1 Closed 1 1 1 -1817.24856192629 -1817.31581556091 -0.067253634617 -1817.31557258728 0.000242973626 -1817.31634172046 -0.000769133174 -1817.31636845843 -0.000026737971 -1817.31637561118 -0.000007152748 -1817.31637671112 -0.000001099947 -1817.31637676941 -0.000000058284 -1817.31637678029 -0.000000010882 -1817.31637678131 -0.000000001022 -1817.31637678157 -0.000000000253 -1817.31637678132 0.000000000241 -1817.31637678 12 1.811075971771e+03 -8.627817656287e+03 2.823498490977e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 6606028800 LenX= 6603313144 LenY= 6601968704 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. PT52572.500S Fri Sep 3 22:22:16 2021 GINC-DUBNIO PAULAPLA 03-Sep-2021 0 Single Point propiconazole_RR CONF130 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1817.3163768 RMSD=9.323e-09 Dipole=-0.8950704,-0.8806706,-0.6381492 Quadrupole=3.7016768,-10.7258419,7.0241651,-6.0943433,2.0403635,-3.8279944 PG=C01 [X(C15H17Cl2N3O2)] 0 -0.0731068782 -0.9697766185 2.369716756 0 0.3653731377 -5.344091564 -0.7335546778 0 -0.6406089556 1.2269904802 0.3954742729 0 0.4716291921 1.2952411221 -1.5802097397 0 1.80551195 2.6694989365 0.532991916 0 2.5581675215 3.4431150353 -0.2931575969 0 1.3131308518 4.733161522 1.09143857 0 0.5031608419 0.7331280564 -0.287062917 0 -1.5222605716 1.8802180933 -0.5431246598 0 -0.9023009903 1.5256949473 -1.8986887986 0 -2.9623077042 1.4293715852 -0.3156229978 0 1.7849923964 1.2271875204 0.4086257643 0 0.4724527202 -0.8031742363 -0.3459161857 0 -3.1716136287 -0.0894466796 -0.287124383 0 0.2168171343 -1.6239907374 0.7603285407 0 0.7221902919 -1.4351008153 -1.5678452026 0 -4.6313029199 -0.4663995939 -0.0207841601 0 0.183377236 -3.0121933026 0.6489314517 0 0.6953793978 -2.8179982357 -1.7070929773 0 1.0686323749 3.460659644 1.346052441 0 0.4175411006 -3.5962666925 -0.5897377512 0 2.2299204339 4.6664006801 0.0839165905 0 -1.4372427529 2.959385722 -0.3736717158 0 -1.3504502551 0.6258946496 -2.3345431612 0 -0.9459303645 2.3422459701 -2.6182352342 0 -3.585234136 1.8862591809 -1.0956413479 0 -3.3036893226 1.8541995652 0.6343774791 0 2.6495691694 0.9339407865 -0.1843734311 0 1.8538681516 0.7748188148 1.3971525041 0 -2.5292148834 -0.515586619 0.4874098583 0 -2.8500087291 -0.5365624214 -1.2337065346 0 0.9375960903 -0.8141519022 -2.427691765 0 -4.7609928211 -1.5514827923 0.0069043096 0 -4.9715312568 -0.066008675 0.9393488234 0 -5.293281815 -0.0707547223 -0.7978072309 0 -0.0225973108 -3.6231385077 1.5167162223 0 0.8860595792 -3.2836692808 -2.6649335709 0 0.3820436392 3.0627478055 2.0756025763 0 2.6684830267 5.5382571968 -0.3768483182