Gaussian 16 GINC-CIBELES2-176 PAULAPLA Optimization difenoconazole_RR CONF80 octanol EM64L-G16RevC.01 7-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 44 44 105 105 712 (5D, 7F) 6-311+G(d,p) 126 126 C1[X(C19H17Cl2N3O3)] C1[X(C19H17Cl2N3O3)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 389.12759999999975 0 1 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-2508674/Gau-10643.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-2508674/" chk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/octanol/CONF80 #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,71=1,72=25,74=-5,124=31/1,2,3 4//1 5/5=2,38=5,53=25/2 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=1,70=32205,71=1,72=25,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5,53=25/2 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 difenoconazole_RR CONF80 octanol 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 35 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 16 16 17 17 18 18 20 21 22 22 23 23 24 24 25 25 26 26 15 27 9 10 9 12 19 22 7 11 20 21 20 21 11 13 12 14 28 29 30 31 32 15 16 33 34 35 17 18 36 19 37 19 38 39 40 23 24 25 41 26 42 27 43 27 44 1.7325 1.7318 1.3897 1.4236 1.3968 1.4164 1.36 1.369 1.3343 1.438 1.3356 1.307 1.3105 1.3482 1.5297 1.5285 1.5368 1.5131 1.0929 1.0876 1.0898 1.0898 1.096 1.3933 1.393 1.0915 1.0912 1.0902 1.3866 1.3826 1.0814 1.3873 1.082 1.3865 1.0821 1.0781 1.0789 1.3889 1.3858 1.3851 1.0826 1.3864 1.0824 1.3865 1.0814 1.3854 1.0814 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A74 A75 A76 A77 A78 A79 A80 9 9 19 7 7 11 6 20 3 3 3 4 4 11 3 3 3 12 12 14 6 6 6 9 9 29 4 4 4 10 10 31 9 9 15 10 10 10 33 33 34 1 1 13 13 13 18 15 15 19 16 16 19 5 5 17 6 6 8 7 7 8 5 5 23 22 22 25 22 22 26 23 23 27 24 24 27 2 2 25 3 4 5 6 6 6 7 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 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 10 12 22 11 20 20 21 21 4 11 13 11 13 13 12 14 28 14 28 28 9 29 30 29 30 30 10 31 32 31 32 32 15 16 16 33 34 35 34 35 35 13 17 17 18 36 36 19 37 37 19 38 38 17 18 18 8 39 39 8 40 40 23 24 24 25 41 41 26 42 42 27 43 43 27 44 44 25 26 26 108.8221 106.9759 120.4906 121.388 109.8344 128.6402 102.6486 102.514 105.5541 110.0378 112.4638 107.9581 110.8163 109.8461 103.3512 112.1712 107.0299 113.5766 110.9588 109.4581 111.7613 107.8522 109.4827 110.8623 109.1808 107.6015 104.2192 108.5606 111.1024 113.028 111.6433 108.2392 123.539 119.6961 116.7512 109.8002 111.916 111.2004 107.8349 107.5822 108.3504 121.7396 116.0814 122.1768 122.352 119.3354 118.3117 119.2618 119.5697 121.1679 119.3164 120.4509 120.2325 122.7314 117.1058 120.128 110.0847 123.2289 126.6784 114.9147 121.8185 123.2649 121.7382 117.579 120.6082 119.6194 121.01 119.3699 119.8076 120.1732 120.0183 119.6113 119.6665 120.7199 119.46 119.7948 120.7427 119.4939 119.6188 120.8871 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 10 10 10 9 9 9 12 12 12 9 9 9 22 22 19 19 11 20 7 7 7 20 20 20 7 7 11 11 6 6 21 21 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 11 11 3 3 3 14 14 14 28 28 28 3 3 3 12 12 12 28 28 28 9 9 16 16 9 9 15 15 1 1 13 13 13 13 36 36 15 15 37 37 16 16 38 38 5 5 24 24 5 5 23 23 22 22 41 41 22 22 42 42 23 23 43 43 24 24 44 44 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 9 9 9 10 10 10 9 9 9 12 12 12 19 19 22 22 7 7 11 11 11 11 11 11 20 20 20 20 21 21 20 20 21 21 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 27 4 11 13 12 14 28 3 11 13 10 31 32 17 18 23 24 21 21 9 29 30 9 29 30 8 39 8 39 8 40 6 39 7 40 6 29 30 6 29 30 6 29 30 15 16 15 16 15 16 4 31 32 4 31 32 4 31 32 33 34 35 33 34 35 33 34 35 1 17 1 17 18 36 18 36 19 37 19 37 19 38 19 38 5 18 5 18 5 17 5 17 25 41 25 41 26 42 26 42 27 43 27 43 27 44 27 44 2 26 2 26 2 25 2 25 -30.2299 -146.4729 90.7179 14.2571 -108.4689 131.4628 34.3706 152.0222 -87.6446 -24.6737 -145.3888 95.699 30.1907 -151.9563 49.4822 -133.6419 176.6104 0.5224 -96.1138 25.9872 142.7905 79.1733 -158.7258 -41.9225 -0.6534 -179.6809 -176.3773 4.5953 -0.2383 179.2713 0.4654 179.4511 -0.1369 -179.6385 52.1693 -68.1872 173.4401 -62.5549 177.0885 58.7158 176.5049 56.1484 -62.2243 44.7565 -136.6329 162.6369 -18.7525 -78.1603 100.4503 6.3976 124.0758 -113.6113 128.1841 -114.1377 8.1752 -108.011 9.6673 131.9801 -178.3951 61.8874 -59.4476 64.8674 -54.8501 -176.1851 -59.75 -179.4675 59.1975 0.6076 -179.9548 -178.0409 1.3967 -179.4012 0.2441 -0.6981 178.9472 178.2667 -2.0226 -1.2008 178.5099 -0.1825 179.9844 -179.8313 0.3357 178.0465 0.2561 -1.6595 -179.4499 -177.4975 0.4144 2.3359 -179.7522 177.3397 -2.3359 0.5571 -179.1185 -176.7976 2.8627 0.1154 179.7758 -0.6053 179.9501 179.0756 -0.369 -0.7305 179.8371 179.6086 0.1763 -179.8603 -0.013 -0.4217 179.4256 -179.4689 0.684 -0.042 -179.8892 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 739 A 712 A 1142 739 2720.2090965108 44 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= 712 RedAO= T EigKep= 1.32D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 6.12D-07 NBFU= 709 Berny optimization. local minimum Step number 53 out of a maximum of 252 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00018 0.00092 0.00369 0.00425 0.00517 0.00748 0.00968 0.01559 0.01676 0.01748 0.02207 0.02224 0.02246 0.02263 0.02268 0.02270 0.02275 0.02277 0.02280 0.02286 0.02293 0.02309 0.02329 0.02366 0.02493 0.02571 0.02646 0.02707 0.03680 0.03857 0.04065 0.04269 0.04756 0.04971 0.05614 0.05638 0.05802 0.05832 0.06794 0.07512 0.08287 0.09284 0.09608 0.10142 0.11027 0.11190 0.12131 0.14646 0.15490 0.15576 0.15765 0.15914 0.15968 0.15998 0.16006 0.16008 0.16025 0.16040 0.16113 0.16168 0.16187 0.19177 0.20240 0.21313 0.21998 0.22479 0.23097 0.23392 0.23511 0.23746 0.24245 0.24552 0.24958 0.25019 0.25312 0.26002 0.26551 0.27441 0.28302 0.29479 0.30947 0.31724 0.32031 0.32525 0.33278 0.34285 0.34533 0.34674 0.34756 0.34800 0.34888 0.34945 0.35379 0.35700 0.35723 0.35749 0.35820 0.35846 0.35987 0.36007 0.36174 0.36309 0.37184 0.38131 0.40184 0.40528 0.43241 0.43474 0.43562 0.43919 0.45490 0.47511 0.47814 0.48062 0.48119 0.48297 0.48347 0.49036 0.49716 0.51946 0.53707 0.53928 0.56174 0.59980 0.63109 0.63859 -1.11277238e-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 R42 R43 R44 R45 R46 R47 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 A74 A75 A76 A77 A78 A79 A80 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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 3.34341 3.33795 2.68640 2.73864 2.68878 2.71445 2.60005 2.63315 2.57101 2.74391 2.54368 2.49628 2.50426 2.57510 2.91613 2.89519 2.87211 2.85661 2.07072 2.05352 2.06038 2.05900 2.07175 2.64380 2.64771 2.06737 2.06596 2.06457 2.63320 2.62002 2.04439 2.63098 2.04292 2.63352 2.04701 2.03748 2.03990 2.62756 2.62607 2.63203 2.04726 2.63282 2.04720 2.63045 2.04589 2.62954 2.04572 1.90392 1.87918 2.08285 2.12341 1.91139 2.24449 1.79378 1.79614 1.85890 1.95159 1.92076 1.85708 1.94341 1.93034 1.77008 1.91043 1.89455 2.02312 1.92146 1.93432 1.94779 1.88335 1.89927 1.93438 1.89263 1.90585 1.78814 1.88530 1.92689 1.98820 1.94562 1.92417 2.16750 2.07916 2.03635 1.91603 1.93058 1.92809 1.90039 1.88841 1.89957 2.12875 2.01878 2.13565 2.13509 2.06648 2.08161 2.07708 2.09474 2.11136 2.08196 2.11478 2.08644 2.15216 2.03083 2.10019 1.92331 2.14264 2.21724 2.00013 2.12717 2.15586 2.08404 2.07845 2.11955 2.08423 2.09097 2.10799 2.08418 2.09049 2.10852 2.07660 2.10148 2.10510 2.07681 2.10140 2.10497 2.07936 2.07882 2.12500 0.11792 -1.90390 2.22664 -0.45144 -2.59772 1.57210 0.29603 2.38042 -1.79811 -0.56692 -2.67105 1.50701 0.06541 -3.08062 1.52652 -1.66594 3.06177 0.00721 -1.61653 0.51275 2.57876 1.42004 -2.73386 -0.66785 -0.00840 3.13302 -3.05519 0.08624 -0.00387 3.13003 0.00558 -3.13583 -0.00094 -3.13471 0.93631 -1.16329 3.02811 -1.08662 3.09696 1.00518 3.08352 0.98392 -1.10786 0.92026 -2.24161 2.97741 -0.18446 -1.24475 1.87657 0.60833 2.63972 -1.45237 2.67523 -1.57656 0.61453 -1.39531 0.63609 2.82718 3.12097 1.02337 -1.08104 1.13306 -0.96454 -3.06894 -1.07313 3.11246 1.00805 -0.00964 3.13161 -3.13142 0.00984 -3.13211 0.01153 -0.00929 3.13436 3.13578 -0.00628 -0.00549 3.13563 0.00441 -3.13888 -3.13925 0.00064 3.13712 0.00012 -0.00400 -3.14099 -3.13691 0.00039 0.00636 -3.13953 3.08984 -0.05204 0.00034 -3.14153 -3.08893 0.05263 0.00073 -3.14090 -0.00041 -3.13893 3.14147 0.00294 -0.00170 3.13880 3.13993 -0.00276 -3.13910 -0.00061 -0.00058 3.13791 3.14016 0.00167 -0.00034 -3.13883 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -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 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00002 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 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 -0.00002 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00002 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00002 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00003 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00004 0.00004 0.00002 -0.00003 -0.00002 -0.00003 0.00002 0.00001 -0.00020 -0.00020 0.00000 0.00000 0.00003 0.00002 0.00003 0.00003 0.00002 0.00003 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00002 0.00002 -0.00001 -0.00000 0.00005 0.00006 0.00005 0.00006 0.00007 0.00006 0.00008 0.00009 0.00008 -0.00006 -0.00007 -0.00006 -0.00007 -0.00009 -0.00010 0.00001 0.00001 0.00000 0.00002 0.00002 0.00001 0.00003 0.00002 0.00002 -0.00004 -0.00004 -0.00004 -0.00004 -0.00003 -0.00003 -0.00005 -0.00004 -0.00004 -0.00002 -0.00001 -0.00001 -0.00000 0.00001 0.00002 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00002 0.00000 -0.00001 0.00001 0.00000 -0.00002 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00002 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00002 -0.00001 0.00000 0.00001 -0.00000 0.00000 -0.00001 0.00001 0.00002 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 0.00000 -0.00002 0.00001 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00003 -0.00001 -0.00002 0.00001 0.00001 0.00001 0.00004 0.00004 0.00002 -0.00003 -0.00002 -0.00003 0.00002 0.00001 -0.00020 -0.00020 0.00000 0.00000 0.00003 0.00002 0.00003 0.00003 0.00002 0.00003 -0.00001 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00002 0.00002 -0.00001 -0.00000 0.00005 0.00006 0.00005 0.00006 0.00007 0.00006 0.00008 0.00009 0.00008 -0.00006 -0.00007 -0.00006 -0.00007 -0.00009 -0.00010 0.00001 0.00001 0.00000 0.00002 0.00002 0.00001 0.00003 0.00002 0.00002 -0.00004 -0.00004 -0.00004 -0.00004 -0.00003 -0.00003 -0.00005 -0.00004 -0.00004 -0.00002 -0.00001 -0.00001 -0.00000 0.00001 0.00002 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00002 0.00000 -0.00001 0.00001 0.00000 -0.00002 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00002 0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00002 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00001 -0.00001 -0.00001 -0.00000 0.00000 3.34341 3.33796 2.68639 2.73864 2.68879 2.71444 2.60004 2.63315 2.57102 2.74390 2.54367 2.49627 2.50426 2.57510 2.91613 2.89519 2.87210 2.85661 2.07072 2.05352 2.06038 2.05900 2.07175 2.64380 2.64771 2.06737 2.06596 2.06457 2.63321 2.62002 2.04439 2.63098 2.04292 2.63352 2.04701 2.03748 2.03990 2.62756 2.62607 2.63203 2.04726 2.63283 2.04720 2.63045 2.04589 2.62954 2.04572 1.90393 1.87917 2.08283 2.12340 1.91139 2.24449 1.79377 1.79614 1.85889 1.95160 1.92078 1.85707 1.94340 1.93033 1.77007 1.91043 1.89454 2.02312 1.92147 1.93432 1.94777 1.88336 1.89927 1.93438 1.89264 1.90586 1.78814 1.88530 1.92691 1.98820 1.94562 1.92417 2.16751 2.07916 2.03635 1.91603 1.93058 1.92809 1.90039 1.88841 1.89957 2.12875 2.01878 2.13565 2.13509 2.06648 2.08161 2.07708 2.09475 2.11135 2.08196 2.11478 2.08644 2.15216 2.03083 2.10019 1.92330 2.14264 2.21724 2.00013 2.12717 2.15586 2.08404 2.07844 2.11955 2.08422 2.09097 2.10799 2.08418 2.09048 2.10853 2.07660 2.10148 2.10510 2.07681 2.10140 2.10497 2.07936 2.07882 2.12501 0.11789 -1.90392 2.22662 -0.45143 -2.59772 1.57211 0.29606 2.38046 -1.79809 -0.56695 -2.67107 1.50697 0.06543 -3.08061 1.52632 -1.66614 3.06178 0.00721 -1.61650 0.51277 2.57879 1.42007 -2.73384 -0.66782 -0.00841 3.13301 -3.05520 0.08622 -0.00387 3.13003 0.00560 -3.13581 -0.00096 -3.13471 0.93636 -1.16324 3.02816 -1.08656 3.09703 1.00524 3.08360 0.98400 -1.10779 0.92019 -2.24169 2.97735 -0.18453 -1.24484 1.87647 0.60834 2.63973 -1.45236 2.67525 -1.57655 0.61454 -1.39528 0.63611 2.82720 3.12092 1.02333 -1.08108 1.13302 -0.96457 -3.06898 -1.07318 3.11242 1.00801 -0.00967 3.13159 -3.13143 0.00983 -3.13210 0.01155 -0.00929 3.13436 3.13579 -0.00629 -0.00549 3.13562 0.00441 -3.13889 -3.13925 0.00063 3.13711 0.00013 -0.00400 -3.14098 -3.13690 0.00039 0.00637 -3.13953 3.08982 -0.05205 0.00033 -3.14154 -3.08891 0.05264 0.00075 -3.14089 -0.00040 -3.13893 3.14147 0.00294 -0.00171 3.13878 3.13992 -0.00277 -3.13909 -0.00060 -0.00057 3.13792 3.14015 0.00167 -0.00034 -3.13883 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000004 0.000822 0.000160 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -8.234794e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 16 16 17 17 18 18 20 21 22 22 23 23 24 24 25 25 26 26 15 27 9 10 9 12 19 22 7 11 20 21 20 21 11 13 12 14 28 29 30 31 32 15 16 33 34 35 17 18 36 19 37 19 38 39 40 23 24 25 41 26 42 27 43 27 44 1.7693 1.7664 1.4216 1.4492 1.4228 1.4364 1.3759 1.3934 1.3605 1.452 1.3461 1.321 1.3252 1.3627 1.5431 1.5321 1.5199 1.5117 1.0958 1.0867 1.0903 1.0896 1.0963 1.399 1.4011 1.094 1.0933 1.0925 1.3934 1.3865 1.0818 1.3923 1.0811 1.3936 1.0832 1.0782 1.0795 1.3904 1.3897 1.3928 1.0834 1.3932 1.0833 1.392 1.0826 1.3915 1.0825 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A74 A75 A76 A77 A78 A79 A80 9 9 19 7 7 11 6 20 3 3 3 4 4 11 3 3 3 12 12 14 6 6 6 9 9 29 4 4 4 10 10 31 9 9 15 10 10 10 33 33 34 1 1 13 13 13 18 15 15 19 16 16 19 5 5 17 6 6 8 7 7 8 5 5 23 22 22 25 22 22 26 23 23 27 24 24 27 2 2 25 3 4 5 6 6 6 7 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 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 10 12 22 11 20 20 21 21 4 11 13 11 13 13 12 14 28 14 28 28 9 29 30 29 30 30 10 31 32 31 32 32 15 16 16 33 34 35 34 35 35 13 17 17 18 36 36 19 37 37 19 38 38 17 18 18 8 39 39 8 40 40 23 24 24 25 41 41 26 42 42 27 43 43 27 44 44 25 26 26 109.0866 107.669 119.3386 121.6626 109.5147 128.5998 102.7757 102.9113 106.5069 111.8178 110.0512 106.4028 111.3491 110.6004 101.4181 109.4593 108.5495 115.916 110.0915 110.8284 111.5999 107.9083 108.8201 110.832 108.4399 109.1973 102.453 108.0198 110.4029 113.9155 111.4759 110.2467 124.1889 119.1274 116.6742 109.7807 110.6142 110.4714 108.8846 108.1978 108.8371 121.9687 115.6674 122.364 122.3317 118.4008 119.2674 119.0081 120.02 120.9719 119.2876 121.1681 119.5442 123.3099 116.3577 120.3319 110.1974 122.764 127.0386 114.5988 121.8777 123.5219 119.4066 119.0862 121.4411 119.4174 119.8035 120.7791 119.4145 119.776 120.8095 118.9805 120.4059 120.6133 118.9927 120.4014 120.6059 119.1385 119.1075 121.7538 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 D105 D106 D107 D108 D109 D110 D111 D112 D113 D114 10 10 10 9 9 9 12 12 12 9 9 9 22 22 19 19 11 20 7 7 7 20 20 20 7 7 11 11 6 6 21 21 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 11 11 3 3 3 14 14 14 28 28 28 3 3 3 12 12 12 28 28 28 9 9 16 16 9 9 15 15 1 1 13 13 13 13 36 36 15 15 37 37 16 16 38 38 5 5 24 24 5 5 23 23 22 22 41 41 22 22 42 42 23 23 43 43 24 24 44 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 9 9 9 10 10 10 9 9 9 12 12 12 19 19 22 22 7 7 11 11 11 11 11 11 20 20 20 20 21 21 20 20 21 21 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 4 11 13 12 14 28 3 11 13 10 31 32 17 18 23 24 21 21 9 29 30 9 29 30 8 39 8 39 8 40 6 39 7 40 6 29 30 6 29 30 6 29 30 15 16 15 16 15 16 4 31 32 4 31 32 4 31 32 33 34 35 33 34 35 33 34 35 1 17 1 17 18 36 18 36 19 37 19 37 19 38 19 38 5 18 5 18 5 17 5 17 25 41 25 41 26 42 26 42 27 43 27 43 27 44 27 44 2 26 2 26 2 25 2 6.7562 -109.0856 127.5773 -25.8654 -148.8386 90.0747 16.9612 136.388 -103.0241 -32.4819 -153.0398 86.3451 3.7475 -176.5065 87.4629 -95.4514 175.4266 0.413 -92.6206 29.3786 147.7522 81.3621 -156.6387 -38.2651 -0.4813 179.509 -175.0493 4.9409 -0.222 179.3376 0.3199 -179.6699 -0.054 -179.6054 53.6464 -66.6518 173.498 -62.2587 177.443 57.5928 176.6725 56.3743 -63.476 52.7269 -128.4349 170.5932 -10.5685 -71.3189 107.5194 34.8547 151.2451 -83.2144 153.2793 -90.3304 35.2101 -79.9452 36.4451 161.9857 178.8182 58.6348 -61.9389 64.9195 -55.2638 -175.8376 -61.4856 178.331 57.7573 -0.5526 179.4279 -179.4169 0.5636 -179.4569 0.6608 -0.5323 179.5854 179.667 -0.36 -0.3146 179.6584 0.2529 -179.8445 -179.8658 0.0369 179.7435 0.0071 -0.2294 -179.9657 -179.7315 0.0226 0.3642 -179.8817 177.0347 -2.9815 0.0197 -179.9964 -176.9827 3.0153 0.0416 -179.9604 -0.0233 -179.8477 179.993 0.1687 -0.0976 179.8399 179.9045 -0.1581 -179.857 -0.0349 -0.033 179.7891 179.9179 0.0958 -0.0194 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0522250865 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 8.100054 0.000000 2.932586 10.711585 0.000000 4.505474 11.330390 2.218844 0.000000 5.061609 5.855719 6.382434 6.281462 0.000000 4.471779 11.789902 2.792087 2.851448 7.802420 0.000000 4.521062 12.117657 3.124589 3.911193 8.567029 1.334339 0.000000 6.467477 13.952366 4.343565 4.152101 9.856326 2.168653 2.238497 0.000000 3.155548 10.292411 1.389705 1.396775 5.692211 2.457392 3.309211 4.302139 0.000000 4.013654 11.493741 1.423582 2.331794 6.774808 3.802028 4.187026 4.897419 2.287887 0.000000 3.503332 10.462051 2.393340 2.368235 6.388788 1.437971 2.418037 3.568835 1.529706 3.569484 0.000000 4.869847 11.807336 2.323543 1.416359 6.607812 3.869968 4.666434 4.858244 2.261036 1.536833 3.555512 0.000000 2.735424 8.936205 2.427097 2.409281 4.165201 3.787984 4.601096 5.768088 1.528481 3.126999 2.502763 3.042385 0.000000 4.009027 10.967830 2.437583 3.515982 6.353606 5.155172 5.444473 6.378380 3.290817 1.513100 4.693779 2.551767 3.512678 0.000000 1.732465 7.806532 2.980749 3.709172 3.657955 4.556114 5.080121 6.639550 2.575068 3.818438 3.266867 4.161509 1.393338 3.812386 0.000000 3.997017 8.956311 3.596227 2.747303 3.610215 4.684279 5.698865 6.525182 2.527070 3.947190 3.414964 3.354406 1.392952 4.237456 2.372537 0.000000 2.652625 6.606590 4.316658 4.823826 2.411308 5.867031 6.424983 7.972862 3.853442 4.981331 4.511356 5.204911 2.433477 4.695137 1.386611 2.759798 0.000000 4.491307 7.947635 4.768122 4.118824 2.343109 5.961852 6.924985 7.870623 3.818423 5.085423 4.614061 4.579540 2.431640 5.058031 2.761042 1.382555 2.403736 0.000000 3.954671 6.693628 5.054194 4.981949 1.359965 6.463335 7.234128 8.511386 4.334861 5.516892 5.061980 5.373390 2.807011 5.250482 2.393302 2.389769 1.387310 1.386497 0.000000 5.727343 12.952502 3.639300 3.059009 8.673877 1.335552 2.184832 1.310458 3.257304 4.278819 2.499974 4.013258 4.654366 5.758401 5.634840 5.301073 6.916491 6.637350 7.343700 0.000000 5.778052 13.419103 4.014351 4.501302 9.730088 2.062189 1.307047 1.348245 4.247270 4.786716 3.445767 5.144737 5.666725 6.149373 6.284290 6.657603 7.644404 7.952352 8.383295 2.073820 0.000000 5.314676 4.488404 7.159502 7.320943 1.368979 8.496894 9.137063 10.622391 6.549656 7.702884 7.075355 7.709048 5.041076 7.240802 4.236445 4.725788 2.870538 3.563878 2.369159 9.481708 10.366532 0.000000 5.234681 3.987406 7.327281 7.541848 2.409019 8.279775 8.865319 10.434464 6.644764 8.095249 6.870137 8.140600 5.226732 7.826565 4.361510 5.066130 3.152983 4.080543 2.958354 9.318134 10.120266 1.388861 0.000000 6.185333 3.987789 8.123742 8.421152 2.356126 9.695570 10.271297 11.813736 7.658631 8.553103 8.295196 8.648687 6.154623 7.882268 5.267518 5.866177 3.883688 4.678055 3.487489 10.701583 11.509512 1.385838 2.410290 0.000000 6.041394 2.699236 8.416832 8.805707 3.661962 9.313902 9.783196 11.476277 7.822070 9.249329 7.944312 9.408811 6.457948 8.930355 5.465411 6.412881 4.295758 5.461396 4.294608 10.413380 11.063023 2.397680 1.385075 2.779083 0.000000 6.892076 2.699948 9.127375 9.575477 3.629298 10.599543 11.081668 12.750431 8.706885 9.661076 9.211282 9.858279 7.236071 8.988389 6.220722 7.066141 4.865348 5.923864 4.679230 11.674101 12.354892 2.398466 2.782154 1.386364 2.411213 0.000000 6.815467 1.731766 9.246838 9.735221 4.124115 10.415866 10.847388 12.584360 8.767283 9.964169 9.044076 10.188362 7.354964 9.453160 6.292859 7.288372 5.022563 6.239035 4.991560 11.532072 12.138114 2.756643 2.395582 2.393839 1.386548 1.385374 0.000000 4.715604 12.443233 2.032836 2.995318 7.857514 3.934343 4.084585 4.575755 3.073697 1.092929 4.086201 2.181274 4.134234 2.141431 4.786298 4.988321 5.997395 6.164835 6.595592 4.241161 4.434062 8.756995 9.114015 9.590688 10.233952 10.669597 10.951863 0.000000 2.867789 9.773719 2.734723 3.317714 6.247724 2.051709 2.516372 4.187010 2.169753 4.098833 1.087595 4.374484 2.721360 5.019619 3.002180 3.808339 4.200466 4.809694 4.968053 3.310649 3.745716 6.738301 6.389479 7.939484 7.339922 8.730126 8.452588 4.623137 0.000000 4.220509 10.424599 3.319989 2.603777 6.247686 2.073837 3.232533 3.952808 2.150150 4.338682 1.089815 3.976290 2.745781 5.440881 3.643163 3.245685 4.689129 4.374060 4.986419 2.737563 4.096645 6.969555 6.701671 8.265878 7.813736 9.195810 8.985387 4.926373 1.757100 0.000000 5.864550 12.888079 3.119874 2.043585 7.617394 4.195846 4.965150 4.685768 3.136413 2.204472 4.200305 1.089754 4.079196 3.265403 5.234718 4.293689 6.288680 5.521929 6.405991 4.002887 5.170953 8.754274 9.189568 9.692353 10.470399 10.920640 11.262122 2.360294 5.114343 4.567347 0.000000 5.127963 11.457609 3.039485 2.079651 6.022241 4.798896 5.650033 5.909939 2.832715 2.192127 4.246979 1.095959 3.074606 2.578299 4.145853 3.027702 4.946560 4.048419 4.901238 4.988018 6.207331 7.210175 7.799286 8.070840 9.103563 9.343110 9.794279 2.984697 5.000314 4.531686 1.770961 0.000000 5.089024 11.766246 3.369846 4.074425 6.986763 5.944901 6.260906 6.931501 4.153958 2.144679 5.587410 2.836817 4.401445 1.091472 4.799960 4.909804 5.573702 5.678486 5.971926 6.372094 6.818679 7.948925 8.651769 8.503799 9.778944 9.657020 10.230287 2.469587 6.015979 6.277957 3.271600 2.685923 0.000000 3.692669 10.060252 2.746809 3.553689 5.306892 5.433303 5.868841 6.911361 3.226547 2.170887 4.690747 2.791708 2.962492 1.091209 3.148016 3.523355 3.815059 4.143035 4.263586 6.123485 6.712823 6.222481 6.889987 6.843823 8.019793 7.988846 8.505636 3.064629 4.954987 5.305998 3.693371 2.483314 1.763976 0.000000 3.776405 10.869417 2.717474 4.315147 6.748980 5.451801 5.489480 6.673777 3.824592 2.161242 5.059092 3.497797 4.048067 1.090162 4.026756 4.972311 4.901213 5.720051 5.682548 6.187676 6.231939 7.471517 7.998894 8.031578 8.986572 9.026124 9.452860 2.486281 5.189793 5.928367 4.171363 3.649567 1.760292 1.768679 0.000000 4.872605 9.925961 3.874336 2.375625 4.462472 4.623052 5.779000 6.224116 2.707471 4.035207 3.538884 3.053586 2.141405 4.545641 3.359196 1.081371 3.841007 2.121070 3.361047 4.969761 6.572737 5.647313 5.988789 6.782588 7.350500 8.013692 8.249386 4.990617 4.188195 3.205541 3.803225 2.722925 5.069173 3.979735 5.416303 0.000000 2.752159 5.802657 4.985038 5.785975 2.691653 6.581378 6.977122 8.702107 4.712947 5.691372 5.273883 6.107859 3.403610 5.254099 2.138726 3.841583 1.081994 3.391484 2.156173 7.717804 8.238867 2.645154 2.841069 3.434883 3.726157 4.206525 4.315154 6.649930 4.788824 5.529881 7.197416 5.874012 6.142737 4.404866 5.260587 4.922870 0.000000 5.573134 8.261782 5.683351 4.726653 2.566195 6.740065 7.792696 8.544738 4.671495 5.867716 5.436555 5.151756 3.407774 5.838461 3.843075 2.144448 3.385539 1.082058 2.145700 7.276747 8.753416 3.852274 4.461015 4.879020 5.830708 6.156748 6.547679 6.932785 5.725154 5.052267 5.985810 4.497335 6.327198 4.918114 6.585423 2.443883 4.289718 0.000000 6.221658 13.096392 4.074667 2.852533 8.531148 2.126972 3.211321 2.137140 3.416111 4.534958 2.834051 3.891614 4.679431 5.998067 5.830046 5.043636 7.018427 6.364790 7.241710 1.078091 3.130978 9.433394 9.322614 10.678421 10.486645 11.713742 11.616056 4.617882 3.799887 2.714980 3.787714 4.749993 6.526877 6.265435 6.588405 4.516862 7.913331 6.865690 0.000000 6.384130 14.079689 4.769670 5.492029 10.623963 3.102119 2.087929 2.139538 5.189644 5.485255 4.431728 6.005617 6.589425 6.766341 7.093284 7.648499 8.455670 8.927100 9.282607 3.115263 1.078922 11.204073 10.933127 12.309721 11.812102 13.105516 12.863414 4.985757 4.591938 5.127209 5.982961 7.081576 7.402601 7.416951 6.714669 7.606473 8.969758 9.761060 4.143368 0.000000 4.892528 4.834931 6.824654 6.907339 2.677546 7.475929 8.111437 9.612802 6.016761 7.691503 6.073886 7.658814 4.680358 7.622868 3.961245 4.530658 2.981702 3.707415 2.811073 8.483549 9.343850 2.156465 1.082637 3.395775 2.135747 3.864677 3.373979 8.693098 5.602439 5.813196 8.680033 7.411934 8.495411 6.747656 7.851671 5.398084 2.935239 4.140428 8.468058 10.181857 0.000000 6.563895 4.843377 8.259981 8.511726 2.579192 10.046787 10.649843 12.112668 7.860687 8.511473 8.668782 8.577132 6.365658 7.706674 5.573228 5.994248 4.233389 4.788950 3.724038 10.999663 11.852898 2.144727 3.390454 1.082355 3.861432 2.143564 3.376694 9.545937 8.409954 8.676085 9.588381 7.896137 8.207161 6.645494 7.893338 6.855953 3.891552 4.896856 10.941064 12.660879 4.290568 0.000000 6.324016 2.850744 8.768800 9.179238 4.541566 9.384694 9.800987 11.523272 8.143747 9.722829 8.064932 9.900099 6.880942 9.527746 5.904487 6.919558 4.892098 6.087856 5.004456 10.497935 11.073437 3.377131 2.137911 3.860505 1.081432 3.392884 2.150344 10.670439 7.380124 7.897111 10.948652 9.691251 10.433967 8.676805 9.553177 7.828566 4.344325 6.488397 10.607389 11.790383 2.451315 4.942852 0.000000 7.713321 2.852830 9.949370 10.458310 4.494275 11.556228 12.006985 13.697252 9.606241 10.406863 10.181045 10.646772 8.139978 9.619937 7.107524 7.969880 5.760219 6.812980 5.582804 12.636265 13.279432 3.377791 3.863585 2.140435 3.393238 1.081435 2.149527 11.400102 9.703098 10.205105 11.702060 10.085977 10.225653 8.621753 9.614230 8.910194 5.060895 7.003879 12.685573 14.008414 4.946099 2.465203 4.289700 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4001513 0.0672614 0.0638048 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 7.883956 0.000000 3.055660 10.528244 0.000000 4.605412 11.381243 2.279207 0.000000 5.118430 5.908822 6.391269 6.323308 0.000000 4.451344 11.989175 2.871125 2.849191 7.863948 0.000000 4.510795 12.275777 3.161314 3.902939 8.648944 1.360523 0.000000 6.498372 14.165259 4.436281 4.149276 9.927002 2.190834 2.258425 0.000000 3.205240 10.305124 1.421583 1.422839 5.721443 2.477768 3.320785 4.338049 0.000000 4.478737 11.798192 1.449225 2.305388 7.400149 3.301225 3.568026 4.181713 2.338483 0.000000 3.444858 10.664056 2.456180 2.376096 6.439682 1.452013 2.456278 3.603873 1.543149 3.362603 0.000000 5.128673 11.943761 2.298324 1.436426 6.960659 3.667911 4.398353 4.533849 2.308344 1.519853 3.501953 0.000000 2.776448 8.945400 2.421077 2.441083 4.191790 3.819978 4.633566 5.812805 1.532071 3.494441 2.528288 3.260286 0.000000 4.981323 11.942222 2.417639 3.663915 7.874053 4.695386 4.694628 5.414279 3.599787 1.511655 4.730461 2.569689 4.420160 0.000000 1.769258 7.716527 3.020310 3.763708 3.685398 4.563921 5.103673 6.677263 2.591029 4.328667 3.246730 4.438884 1.399039 4.992826 0.000000 4.045763 9.063754 3.551236 2.743969 3.627754 4.757050 5.765569 6.591046 2.529835 4.291035 3.500006 3.563710 1.401108 5.181777 2.383349 0.000000 2.684702 6.503600 4.344266 4.877858 2.436264 5.889974 6.467457 8.020352 3.874211 5.574581 4.512042 5.531692 2.446638 6.098579 1.393430 2.774958 0.000000 4.538835 8.080605 4.728023 4.124126 2.353245 6.036328 7.002394 7.940840 3.826445 5.538866 4.693788 4.841205 2.441968 6.251089 2.771803 1.386454 2.416647 0.000000 3.993199 6.728203 5.043597 5.012430 1.375885 6.513603 7.298531 8.571211 4.348746 6.080645 5.103469 5.689578 2.817718 6.648557 2.400329 2.398913 1.392256 1.393601 0.000000 5.739671 13.184402 3.750248 3.069311 8.735017 1.346057 2.210521 1.325200 3.300097 3.708427 2.521692 3.775439 4.700411 5.134398 5.659832 5.378154 6.950151 6.712682 7.397520 0.000000 5.802879 13.593022 4.073558 4.493367 9.815098 2.095434 1.320972 1.362686 4.272312 4.047210 3.491788 4.810840 5.708247 5.117032 6.324892 6.722431 7.699829 8.027444 8.451951 2.102396 0.000000 5.280473 4.516554 7.107118 7.374129 1.393402 8.614188 9.253728 10.748792 6.580196 8.234151 7.188652 7.994552 5.065522 8.609237 4.216318 4.787171 2.824723 3.637421 2.390257 9.609129 10.490113 0.000000 5.607563 4.023816 7.755879 8.009613 2.403643 8.893872 9.512842 11.065532 7.128591 8.990946 7.461692 8.800884 5.669151 9.498621 4.744750 5.491294 3.433361 4.424889 3.215762 9.923475 10.776113 1.390447 0.000000 5.688038 4.023670 7.532990 8.058659 2.399027 9.378140 9.902652 11.487263 7.240872 8.600805 8.004118 8.472986 5.767279 8.737961 4.830387 5.588476 3.495749 4.503032 3.273327 10.413278 11.142796 1.389658 2.424932 0.000000 6.288935 2.729851 8.735028 9.212450 3.673877 9.902825 10.396074 12.091797 8.231022 10.019982 8.505040 9.964185 6.814971 10.435624 5.738808 6.779780 4.462676 5.760512 4.481884 11.005716 11.691295 2.403263 1.392808 2.799562 0.000000 6.362164 2.729027 8.538282 9.256135 3.671058 10.342172 10.756023 12.481007 8.329704 9.671526 8.986977 9.675911 6.897944 9.747481 5.811000 6.859643 4.511864 5.821428 4.524048 11.451515 12.032173 2.402911 2.799328 1.393230 2.431570 0.000000 6.623680 1.766369 9.075654 9.760354 4.142638 10.566862 10.970740 12.746490 8.758974 10.314722 9.196471 10.343233 7.340830 10.533103 6.191694 7.356540 4.899742 6.330243 4.993642 11.707687 12.273940 2.750187 2.399209 2.399308 1.391974 1.391493 0.000000 4.999027 12.601178 2.076384 2.718260 8.294351 2.852474 2.927710 3.260355 2.829726 1.095780 3.387247 2.157522 4.221186 2.159583 5.056963 5.072627 6.379981 6.386116 6.944842 3.058452 3.127307 9.113592 9.776191 9.542151 10.792047 10.581006 11.148361 0.000000 2.748455 10.000640 2.784296 3.331626 6.316178 2.063872 2.564167 4.223116 2.180569 3.959494 1.086674 4.349009 2.751236 5.153838 2.972407 3.909087 4.200676 4.911870 5.025367 3.326945 3.799746 6.871185 7.019810 7.665096 7.942485 8.520732 8.630194 4.014399 0.000000 4.141078 10.773003 3.370896 2.581255 6.302158 2.078109 3.281366 3.971966 2.152779 4.159860 1.090305 3.939121 2.773513 5.583548 3.608563 3.365008 4.678776 4.484771 5.036597 2.730397 4.144136 7.138203 7.322499 8.099315 8.439058 9.123971 9.258348 4.204268 1.774488 0.000000 6.158917 12.998816 3.247522 2.053972 7.877614 4.026687 4.771860 4.377349 3.206108 2.199947 4.147127 1.089574 4.243613 3.119676 5.482181 4.397450 6.564497 5.670520 6.635317 3.759503 4.900314 8.972017 9.772313 9.478749 10.969415 10.708892 11.379441 2.422429 5.095014 4.467048 0.000000 5.255250 11.511905 2.755378 2.088837 6.427361 4.617705 5.342789 5.626205 2.789422 2.175300 4.204787 1.096321 3.246141 2.699811 4.353112 3.290532 5.246276 4.386302 5.251208 4.824606 5.853296 7.493389 8.429798 7.870928 9.600414 9.113100 9.888524 3.062009 4.956727 4.584010 1.793280 0.000000 6.066377 12.949782 3.366218 4.169496 8.728790 5.295288 5.304475 5.630934 4.409825 2.145058 5.504315 2.866754 5.307062 1.094004 6.001666 5.917302 7.084523 7.006876 7.526543 5.488801 5.485352 9.531951 10.466476 9.644605 11.436829 10.688750 11.522322 2.502368 6.041270 6.291809 3.048319 2.990417 0.000000 4.817716 11.232073 2.668337 3.863302 7.169458 5.316179 5.441313 6.299184 3.730073 2.154998 5.064628 2.807044 4.171915 1.093261 4.636416 4.802247 5.563482 5.699836 6.032502 5.854319 6.018971 7.888314 8.876065 7.914085 9.801081 8.937758 9.812131 3.068836 5.431419 5.853006 3.517940 2.507586 1.779406 0.000000 4.841857 11.927877 2.692009 4.403798 8.330716 4.850701 4.546214 5.539238 4.063194 2.152653 4.986304 3.500101 4.895469 1.092524 5.231879 5.852000 6.366238 6.886789 7.107078 5.425732 4.985704 8.922409 9.747081 8.988527 10.577498 9.882068 10.624559 2.488342 5.220284 5.956280 4.060201 3.727055 1.771155 1.777676 0.000000 4.912197 10.091620 3.790803 2.318877 4.487057 4.703455 5.839442 6.285347 2.689388 4.205063 3.643634 3.149466 2.139021 5.199387 3.364270 1.081845 3.856797 2.135235 3.377436 5.056216 6.626156 5.735515 6.439249 6.542393 7.763330 7.849979 8.367244 4.909658 4.306537 3.373812 3.778349 2.917811 5.772120 4.918934 6.001396 0.000000 2.779802 5.570344 5.037545 5.850577 2.713357 6.589875 7.012337 8.743680 4.738754 6.329366 5.252713 6.454440 3.418244 6.727906 2.148874 3.855951 1.081068 3.401615 2.157825 7.738442 8.291713 2.530565 2.979861 3.009985 3.744074 3.769136 4.065666 7.110685 4.757646 5.486558 7.511704 6.175673 7.754768 6.172219 6.855332 4.937794 0.000000 5.621585 8.460732 5.634835 4.728619 2.555166 6.839477 7.890493 8.634476 4.686249 6.292534 5.544550 5.399049 3.424323 6.989744 3.855009 2.156436 3.393863 1.083232 2.145754 7.376564 8.846198 3.945497 4.746768 4.815474 6.112036 6.165998 6.694670 7.140661 5.857234 5.206004 6.103079 4.857830 7.646959 6.404864 7.714473 2.476038 4.292629 0.000000 6.228688 13.358425 4.196693 2.881249 8.579692 2.131946 3.236565 2.154055 3.467668 4.080543 2.845933 3.725758 4.728178 5.552066 5.847489 5.129000 7.041006 6.441392 7.287931 1.078189 3.159998 9.562986 9.893291 10.436630 11.055567 11.546570 11.812708 3.595803 3.801589 2.683816 3.567593 4.709202 5.837121 6.172722 6.019371 4.628708 7.917931 6.972055 0.000000 6.417928 14.226990 4.809920 5.475359 10.710148 3.136493 2.101506 2.155661 5.207253 4.710368 4.479582 5.639029 6.624917 5.557359 7.137107 7.701389 8.515195 8.993357 9.349677 3.144499 1.079468 11.319752 11.597505 11.909395 12.446727 12.739815 12.979251 3.733937 4.653817 5.181442 5.694674 6.661537 5.854442 6.523195 5.253046 7.640984 9.032806 9.841501 4.173712 0.000000 5.662209 4.887860 7.694924 7.731477 2.627966 8.504595 9.206761 10.653615 6.901724 8.936225 7.071246 8.666516 5.495064 9.606582 4.715660 5.256069 3.546654 4.252024 3.241556 9.476406 10.441476 2.145790 1.083361 3.400168 2.158216 3.882551 3.389502 9.652023 6.657841 6.796383 9.588883 8.386076 10.564088 9.070988 9.895371 6.135005 3.310869 4.534255 9.386642 11.301756 0.000000 5.801571 4.887720 7.292652 7.820467 2.620349 9.378032 9.905592 11.414334 7.104610 8.229354 8.050596 8.068117 5.672014 8.232376 4.866191 5.433564 3.652134 4.394227 3.341386 10.362731 11.099897 2.144764 3.400076 1.083332 3.882750 2.158891 3.389658 9.228398 7.813850 8.206362 9.052874 7.363862 9.076991 7.330917 8.532411 6.324454 3.358037 4.660304 10.373558 11.860221 4.283497 0.000000 6.826805 2.869214 9.389867 9.844028 4.553270 10.311354 10.784019 12.494075 8.831086 10.720964 8.936507 10.688470 7.472313 11.215844 6.396983 7.480498 5.210363 6.515470 5.288633 11.419261 12.078613 3.388865 2.153694 3.882178 1.082640 3.410551 2.155125 11.429417 8.311065 8.816166 11.681514 10.400282 12.236295 10.643236 11.322840 8.445888 4.491919 6.863938 11.477893 12.819866 2.495148 4.965386 0.000000 6.945107 2.867864 9.063469 9.915796 4.549146 11.047458 11.390757 13.153167 8.992756 10.138471 9.734672 10.208702 7.605329 10.060447 6.510706 7.607871 5.284292 6.610325 5.351483 12.169517 12.656328 3.388317 3.881854 2.153952 3.410493 1.082550 2.154538 11.074234 9.268445 9.949656 11.245278 9.592950 10.974202 9.200456 10.149998 8.586100 4.528287 6.948688 12.302956 13.318777 4.965096 2.495929 4.301604 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4158942 0.0642514 0.0620154 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= 712 712 712 712 712 MxSgAt= 44 MxSgA2= 44. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.7660307059 44 44 44 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 -0.0513772691 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2693.2061556796 44 44 44 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 -0.0518134604 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2693.4902977518 44 44 44 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 -0.0518127615 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2692.2235003509 44 44 44 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 -0.0517080746 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2693.1556909402 44 44 44 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 -0.0516740218 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2693.3701755183 44 44 44 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 -0.0516100960 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2692.7989794385 44 44 44 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 -0.0515218629 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2691.7101990949 44 44 44 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 -0.0514043061 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2733.9947937472 44 44 44 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 -0.0517221731 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2658.7561314882 44 44 44 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 -0.0506486175 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2634.1153264160 44 44 44 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 -0.0511888512 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2690.9305759108 44 44 44 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 -0.0514000196 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2689.7176090524 44 44 44 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 -0.0511882891 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2689.7796025695 44 44 44 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 -0.0511582347 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2689.3892286338 44 44 44 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 -0.0512346582 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2688.8077063500 44 44 44 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 -0.0510563627 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.3428627741 44 44 44 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 -0.0510305999 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2686.9509985963 44 44 44 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 -0.0513231945 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.6996888290 44 44 44 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 -0.0512498549 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2691.0925316283 44 44 44 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 -0.0522808809 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2686.8660354093 44 44 44 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 -0.0512924109 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.6011859262 44 44 44 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 -0.0514833251 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.8082707392 44 44 44 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 -0.0515339521 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2688.2205381605 44 44 44 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 -0.0517067513 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2688.2057784507 44 44 44 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 -0.0516501684 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.9621728000 44 44 44 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 -0.0515755020 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.9263376868 44 44 44 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 -0.0515933146 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2688.0364684290 44 44 44 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 -0.0516288766 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2688.1521271574 44 44 44 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 -0.0516721034 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.9661099121 44 44 44 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 -0.0516074735 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.9635106379 44 44 44 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 -0.0515900024 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2688.1095122264 44 44 44 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 -0.0516590440 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2688.0501952512 44 44 44 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 -0.0516577828 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.9748674420 44 44 44 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 -0.0516595402 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.9342811206 44 44 44 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 -0.0516598622 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.8560460694 44 44 44 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 -0.0516592047 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.8419348188 44 44 44 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 -0.0516579433 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.8316382862 44 44 44 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 -0.0516575883 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.8232569966 44 44 44 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 -0.0516579131 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.8192817730 44 44 44 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 -0.0516580553 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.7954723365 44 44 44 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 -0.0516577733 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.7939024842 44 44 44 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 -0.0516578531 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.8126112090 44 44 44 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 -0.0516576961 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.8452417741 44 44 44 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 -0.0516621495 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.7952225378 44 44 44 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 -0.0516575849 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.7869683486 44 44 44 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 -0.0516581425 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.7077658751 44 44 44 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 -0.0516583127 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.7844623594 44 44 44 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 -0.0516580238 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.9265787425 44 44 44 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 -0.0516643406 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.8256828938 44 44 44 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 -0.0516598901 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.8005492423 44 44 44 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 -0.0516587555 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.7942585783 44 44 44 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 -0.0516584699 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 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= 712 RedAO= T EigKep= 1.10D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 4.56D-07 NBFU= 709 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= 712 712 712 712 712 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.37939908089 -2044.63056582706 -0.251166746165 -2044.93395992440 -0.303394097341 -2044.95499691341 -0.021036989013 -2044.96768621111 -0.012689297692 -2044.96811538736 -0.000429176250 -2044.96817964942 -0.000064262061 -2044.96818250554 -0.000002856127 -2044.96818277550 -0.000000269953 -2044.96818282067 -0.000000045172 -2044.96818282322 -0.000000002551 -2044.96818282367 -0.000000000448 -2044.96818282416 -0.000000000493 -2044.96818282384 0.000000000323 -2044.96818282389 -0.000000000057 -2044.96818282 15 2.039030424823e+03 -1.024878107888e+04 3.444630112306e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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. 1.06097150e+00 2.13225418e+00 -7.55832190e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 17 17 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.000326652 0.002306535 0.015838061 -0.013652457 0.001472536 0.007101237 0.001193997 0.002003092 0.015342133 0.006032035 0.008738785 -0.012572187 -0.000170401 -0.006664767 -0.010536186 -0.007358030 -0.001930709 -0.009714874 -0.008155951 -0.002164981 0.017121342 0.014656054 0.005233453 -0.000800075 -0.012506646 0.006552347 -0.002456882 0.008394795 -0.010171247 -0.000733358 -0.007779313 0.002711683 -0.001312144 0.007282472 -0.010103733 -0.003686810 -0.000536522 -0.000070588 -0.001048567 -0.002136590 -0.004378006 0.001378957 -0.001334693 -0.001210845 -0.006166749 0.002657551 0.000882514 -0.004665695 -0.003345682 -0.002072975 0.003459448 0.000776962 -0.000537235 -0.004682212 0.006194635 0.003753146 0.001952186 -0.000933248 0.000101126 -0.016805638 0.010668924 0.004849087 0.013671923 -0.006378969 0.000285495 0.004378143 0.001528113 0.004794366 -0.001236074 0.000645041 -0.004494560 -0.001686572 -0.000707235 0.005080059 0.001035165 -0.002315063 -0.004699133 0.000673059 0.006799716 -0.000858486 -0.003635551 -0.000238381 0.001539291 0.000347715 0.000254623 -0.001534600 0.000827563 0.001041749 -0.001189929 -0.001587531 0.000546442 0.001399383 0.000068334 -0.001885556 0.000683414 0.000399612 0.001983634 -0.001249662 -0.001107063 -0.001317129 0.001418512 -0.000991320 0.000021788 0.001026753 0.002070757 0.001759863 0.000381980 0.000764707 -0.000383721 0.000047062 -0.000918109 -0.001502229 -0.000507629 -0.000486808 -0.000853685 -0.000859716 -0.000109913 0.000266433 -0.000001677 0.000651918 0.001545486 -0.000681829 -0.000415999 0.001493381 -0.000071389 -0.000625568 -0.000917396 0.000722183 0.000497936 -0.001008147 -0.000529106 0.000401689 0.017121342 0.005243936 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -2044.97496149585 -2044.97496346557 -0.000001969718 -2044.97496348088 -0.000000015309 -2044.97496348488 -0.000000004005 -2044.97496348515 -0.000000000266 -2044.97496348536 -0.000000000216 -2044.97496348520 0.000000000164 -2044.97496348526 -0.000000000060 -2044.97496349 8 2.038184050784e+03 -1.018371496647e+04 3.412817363367e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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) PT362296.100S Wed Jul 7 07:36:36 2021 6.62548309e-01 2.02630879e+00 -2.80669140e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -2044.9749635 4.224E-9 4.655E-6 -11.2071658,8.9177485,2.2894173,-17.2843446,-5.6647517,-4.3035856 C01 [X(C19H17Cl2N3O3)] -0.3143325 -1.0118064 -1.8711268 0.000001810 -0.000001357 0.000000093 0.000002292 -0.000004801 0.000004810 0.000004152 -0.000008592 0.000003196 -0.000009305 0.000005035 -0.000002212 -0.000003349 0.000001378 0.000002556 -0.000010602 0.000000077 0.000004276 -0.000000743 -0.000006493 0.000004948 0.000010159 -0.000006100 -0.000001827 0.000006057 -0.000001485 -0.000021024 -0.000008242 0.000005306 -0.000002399 0.000003199 -0.000003169 0.000008363 0.000003812 0.000002093 -0.000000452 -0.000004721 -0.000005403 0.000002891 -0.000000996 0.000000891 -0.000009306 -0.000000742 -0.000003680 -0.000005626 -0.000002678 0.000004326 -0.000000202 0.000011266 -0.000000340 0.000005065 -0.000003722 0.000007350 0.000001190 0.000004562 0.000001578 0.000004648 -0.000002199 0.000006454 0.000003150 0.000003743 0.000006715 0.000005667 -0.000005033 -0.000001628 0.000000203 -0.000007426 -0.000000560 0.000003996 -0.000005521 -0.000000210 0.000003049 0.000001864 -0.000002975 0.000006519 0.000004402 -0.000001612 -0.000002337 0.000002180 0.000000266 0.000002300 0.000004754 -0.000000795 -0.000006437 -0.000002506 0.000000545 0.000000581 -0.000000151 -0.000001049 0.000002145 -0.000001419 0.000001969 -0.000006771 -0.000000530 0.000006651 -0.000006519 0.000001104 -0.000000353 -0.000007514 0.000002925 -0.000002067 -0.000006583 0.000002550 -0.000003446 -0.000006796 -0.000003087 0.000004924 -0.000000007 0.000004558 0.000000104 0.000001474 -0.000002534 0.000004868 0.000000709 -0.000001847 0.000004432 0.000002298 0.000002450 -0.000003907 -0.000000951 -0.000002532 0.000000262 0.000006952 -0.000000448 -0.000000662 -0.000001904 -0.000000251 -0.000002420 0.000007490 0.000002746 -0.000002121 0.000000296 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-CIBELES2-176 PAULAPLA Optimization difenoconazole_RR CONF80 octanol EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization difenoconazole_RR CONF80 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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/difenoconazole_RR/octanol/CONF80/opt-b3lyp-pople.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 1 2 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 10 10 11 11 12 12 13 13 14 14 14 15 16 16 17 17 18 18 20 21 22 22 23 23 24 24 25 25 26 26 15 27 9 10 9 12 19 22 7 11 20 21 20 21 11 13 12 14 28 29 30 31 32 15 16 33 34 35 17 18 36 19 37 19 38 39 40 23 24 25 41 26 42 27 43 27 44 1.7693 1.7664 1.4216 1.4492 1.4228 1.4364 1.3759 1.3934 1.3605 1.452 1.3461 1.321 1.3252 1.3627 1.5431 1.5321 1.5199 1.5117 1.0958 1.0867 1.0903 1.0896 1.0963 1.399 1.4011 1.094 1.0933 1.0925 1.3934 1.3865 1.0818 1.3923 1.0811 1.3936 1.0832 1.0782 1.0795 1.3904 1.3897 1.3928 1.0834 1.3932 1.0833 1.392 1.0826 1.3915 1.0825 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A74 A75 A76 A77 A78 A79 A80 9 9 19 7 7 11 6 20 3 3 3 4 4 11 3 3 3 12 12 14 6 6 6 9 9 29 4 4 4 10 10 31 9 9 15 10 10 10 33 33 34 1 1 13 13 13 18 15 15 19 16 16 19 5 5 17 6 6 8 7 7 8 5 5 23 22 22 25 22 22 26 23 23 27 24 24 27 2 2 25 3 4 5 6 6 6 7 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 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 26 26 26 27 27 27 10 12 22 11 20 20 21 21 4 11 13 11 13 13 12 14 28 14 28 28 9 29 30 29 30 30 10 31 32 31 32 32 15 16 16 33 34 35 34 35 35 13 17 17 18 36 36 19 37 37 19 38 38 17 18 18 8 39 39 8 40 40 23 24 24 25 41 41 26 42 42 27 43 43 27 44 44 25 26 26 109.0866 107.669 119.3386 121.6626 109.5147 128.5998 102.7757 102.9113 106.5069 111.8178 110.0512 106.4028 111.3491 110.6004 101.4181 109.4593 108.5495 115.916 110.0915 110.8284 111.5999 107.9083 108.8201 110.832 108.4399 109.1973 102.453 108.0198 110.4029 113.9155 111.4759 110.2467 124.1889 119.1274 116.6742 109.7807 110.6142 110.4714 108.8846 108.1978 108.8371 121.9687 115.6674 122.364 122.3317 118.4008 119.2674 119.0081 120.02 120.9719 119.2876 121.1681 119.5442 123.3099 116.3577 120.3319 110.1974 122.764 127.0386 114.5988 121.8777 123.5219 119.4066 119.0862 121.4411 119.4174 119.8035 120.7791 119.4145 119.776 120.8095 118.9805 120.4059 120.6133 118.9927 120.4014 120.6059 119.1385 119.1075 121.7538 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 10 10 10 9 9 9 12 12 12 9 9 9 22 22 19 19 11 20 7 7 7 20 20 20 7 7 11 11 6 6 21 21 20 20 3 3 3 4 4 4 13 13 13 3 3 4 4 11 11 3 3 3 14 14 14 28 28 28 3 3 3 12 12 12 28 28 28 9 9 16 16 9 9 15 15 1 1 13 13 13 13 36 36 15 15 37 37 16 16 38 38 5 5 24 24 5 5 23 23 22 22 41 41 22 22 42 42 23 23 43 43 24 24 44 44 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 8 8 8 8 9 9 9 9 9 9 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 13 13 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 22 22 22 22 22 22 22 22 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 9 9 9 10 10 10 9 9 9 12 12 12 19 19 22 22 7 7 11 11 11 11 11 11 20 20 20 20 21 21 20 20 21 21 11 11 11 11 11 11 11 11 11 13 13 13 13 13 13 12 12 12 12 12 12 12 12 12 14 14 14 14 14 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 19 19 19 19 19 19 19 19 23 23 23 23 24 24 24 24 25 25 25 25 26 26 26 26 27 27 27 27 27 27 27 27 4 11 13 12 14 28 3 11 13 10 31 32 17 18 23 24 21 21 9 29 30 9 29 30 8 39 8 39 8 40 6 39 7 40 6 29 30 6 29 30 6 29 30 15 16 15 16 15 16 4 31 32 4 31 32 4 31 32 33 34 35 33 34 35 33 34 35 1 17 1 17 18 36 18 36 19 37 19 37 19 38 19 38 5 18 5 18 5 17 5 17 25 41 25 41 26 42 26 42 27 43 27 43 27 44 27 44 2 26 2 26 2 25 2 25 6.7562 -109.0856 127.5773 -25.8654 -148.8386 90.0747 16.9612 136.388 -103.0241 -32.4819 -153.0398 86.3451 3.7475 -176.5065 87.4629 -95.4514 175.4266 0.413 -92.6206 29.3786 147.7522 81.3621 -156.6387 -38.2651 -0.4813 179.509 -175.0493 4.9409 -0.222 179.3376 0.3199 -179.6699 -0.054 -179.6054 53.6464 -66.6518 173.498 -62.2587 177.443 57.5928 176.6725 56.3743 -63.476 52.7269 -128.4349 170.5932 -10.5685 -71.3189 107.5194 34.8547 151.2451 -83.2144 153.2793 -90.3304 35.2101 -79.9452 36.4451 161.9857 178.8182 58.6348 -61.9389 64.9195 -55.2638 -175.8376 -61.4856 178.331 57.7573 -0.5526 179.4279 -179.4169 0.5636 -179.4569 0.6608 -0.5323 179.5854 179.667 -0.36 -0.3146 179.6584 0.2529 -179.8445 -179.8658 0.0369 179.7435 0.0071 -0.2294 -179.9657 -179.7315 0.0226 0.3642 -179.8817 177.0347 -2.9815 0.0197 -179.9964 -176.9827 3.0153 0.0416 -179.9604 -0.0233 -179.8477 179.993 0.1687 -0.0976 179.8399 179.9045 -0.1581 -179.857 -0.0349 -0.033 179.7891 179.9179 0.0958 -0.0194 -179.8415 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. -0.00056 0.00266 0.00345 0.00419 0.00549 0.00720 0.00792 0.00878 0.01221 0.01470 0.01669 0.01743 0.01762 0.01798 0.01845 0.02037 0.02153 0.02280 0.02336 0.02364 0.02546 0.02573 0.02683 0.02789 0.02955 0.03002 0.03057 0.03495 0.03590 0.03637 0.04199 0.04226 0.04437 0.04484 0.04749 0.05102 0.05209 0.05738 0.05938 0.07157 0.07297 0.08347 0.08945 0.09285 0.09768 0.10380 0.10703 0.10873 0.10926 0.11066 0.11552 0.11596 0.11661 0.11677 0.11839 0.12094 0.12269 0.12457 0.14770 0.14845 0.15411 0.15487 0.15858 0.17356 0.17362 0.17417 0.18011 0.19270 0.19488 0.19707 0.20494 0.20725 0.21350 0.21552 0.21630 0.23279 0.23605 0.24112 0.24597 0.24957 0.25032 0.25465 0.27940 0.29163 0.29478 0.29620 0.29654 0.30464 0.31847 0.32730 0.33297 0.33437 0.33534 0.33696 0.34132 0.34346 0.34415 0.34758 0.35298 0.35878 0.35914 0.35973 0.36126 0.36177 0.36203 0.36418 0.36561 0.36882 0.37248 0.37785 0.38142 0.40376 0.40548 0.41172 0.43219 0.44183 0.44468 0.45655 0.46579 0.46721 0.48390 0.49781 0.50862 0.51149 0.51925 0.55674 Angle between quadratic step and forces= 81.03 degrees. 1 2 3 0.00242547 0.00000246 0.00000000 0.00000105 0.00000000 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 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 A74 A75 A76 A77 A78 A79 A80 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 D106 D107 D108 D109 D110 D111 D112 D113 D114 D115 3.34341 3.33795 2.68640 2.73864 2.68878 2.71445 2.60005 2.63315 2.57101 2.74391 2.54368 2.49628 2.50426 2.57510 2.91613 2.89519 2.87211 2.85661 2.07072 2.05352 2.06038 2.05900 2.07175 2.64380 2.64771 2.06737 2.06596 2.06457 2.63320 2.62002 2.04439 2.63098 2.04292 2.63352 2.04701 2.03748 2.03990 2.62756 2.62607 2.63203 2.04726 2.63282 2.04720 2.63045 2.04589 2.62954 2.04572 1.90392 1.87918 2.08285 2.12341 1.91139 2.24449 1.79378 1.79614 1.85890 1.95159 1.92076 1.85708 1.94341 1.93034 1.77008 1.91043 1.89455 2.02312 1.92146 1.93432 1.94779 1.88335 1.89927 1.93438 1.89263 1.90585 1.78814 1.88530 1.92689 1.98820 1.94562 1.92417 2.16750 2.07916 2.03635 1.91603 1.93058 1.92809 1.90039 1.88841 1.89957 2.12875 2.01878 2.13565 2.13509 2.06648 2.08161 2.07708 2.09474 2.11136 2.08196 2.11478 2.08644 2.15216 2.03083 2.10019 1.92331 2.14264 2.21724 2.00013 2.12717 2.15586 2.08404 2.07845 2.11955 2.08423 2.09097 2.10799 2.08418 2.09049 2.10852 2.07660 2.10148 2.10510 2.07681 2.10140 2.10497 2.07936 2.07882 2.12500 0.11792 -1.90390 2.22664 -0.45144 -2.59772 1.57210 0.29603 2.38042 -1.79811 -0.56692 -2.67105 1.50701 0.06541 -3.08062 1.52652 -1.66594 3.06177 0.00721 -1.61653 0.51275 2.57876 1.42004 -2.73386 -0.66785 -0.00840 3.13302 -3.05519 0.08624 -0.00387 3.13003 0.00558 -3.13583 -0.00094 -3.13471 0.93631 -1.16329 3.02811 -1.08662 3.09696 1.00518 3.08352 0.98392 -1.10786 0.92026 -2.24161 2.97741 -0.18446 -1.24475 1.87657 0.60833 2.63972 -1.45237 2.67523 -1.57656 0.61453 -1.39531 0.63609 2.82718 3.12097 1.02337 -1.08104 1.13306 -0.96454 -3.06894 -1.07313 3.11246 1.00805 -0.00964 3.13161 -3.13142 0.00984 -3.13211 0.01153 -0.00929 3.13436 3.13578 -0.00628 -0.00549 3.13563 0.00441 -3.13888 -3.13925 0.00064 3.13712 0.00012 -0.00400 -3.14099 -3.13691 0.00039 0.00636 -3.13953 3.08984 -0.05204 0.00034 -3.14153 -3.08893 0.05263 0.00073 -3.14090 -0.00041 -3.13893 3.14147 0.00294 -0.00170 3.13880 3.13993 -0.00276 -3.13910 -0.00061 -0.00058 3.13791 3.14016 0.00167 -0.00034 -3.13883 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 -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 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00002 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00001 0.00004 -0.00004 -0.00004 0.00002 0.00002 -0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00003 -0.00002 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00000 -0.00003 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00002 -0.00003 -0.00003 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00003 0.00003 0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00002 0.00003 -0.00004 0.00000 0.00006 -0.00006 0.00001 0.00001 0.00002 -0.00000 -0.00002 -0.00002 0.00005 0.00002 -0.00003 0.00007 -0.00008 -0.00003 -0.00001 0.00001 -0.00003 0.00003 0.00001 -0.00001 -0.00005 0.00004 0.00001 0.00001 0.00003 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00005 -0.00004 -0.00001 0.00002 0.00000 -0.00002 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00002 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00010 -0.00013 -0.00005 0.00005 0.00004 0.00004 0.00011 0.00016 0.00012 -0.00008 -0.00012 -0.00009 0.00293 0.00274 -0.00269 -0.00271 0.00003 0.00002 0.00022 0.00035 0.00031 0.00024 0.00037 0.00033 0.00002 0.00003 0.00001 0.00002 -0.00005 0.00001 -0.00005 -0.00006 0.00006 0.00001 -0.00044 -0.00055 -0.00049 -0.00047 -0.00058 -0.00053 -0.00051 -0.00062 -0.00057 0.00012 -0.00004 0.00015 -0.00001 0.00015 -0.00001 0.00003 0.00005 0.00007 0.00004 0.00006 0.00008 0.00000 0.00002 0.00004 0.00014 0.00013 0.00013 0.00012 0.00010 0.00011 0.00016 0.00014 0.00015 -0.00025 -0.00028 -0.00010 -0.00012 0.00026 0.00016 0.00011 0.00001 -0.00001 0.00003 0.00001 0.00005 0.00002 -0.00007 0.00012 0.00003 -0.00008 0.00012 -0.00012 0.00008 0.00005 -0.00014 0.00013 -0.00005 0.00008 0.00003 0.00009 0.00004 -0.00003 -0.00002 -0.00005 -0.00003 -0.00006 0.00000 -0.00000 0.00005 -0.00003 0.00004 -0.00005 0.00003 -0.00005 -0.00002 -0.00011 -0.00008 0.00010 0.00007 0.00003 -0.00000 0.00001 0.00001 0.00004 -0.00004 -0.00004 0.00002 0.00002 -0.00001 0.00001 0.00000 0.00001 0.00001 0.00000 0.00001 0.00003 -0.00002 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00002 -0.00000 -0.00000 0.00000 -0.00003 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 0.00002 -0.00003 -0.00003 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00002 -0.00003 0.00003 0.00002 -0.00001 -0.00001 0.00000 -0.00001 0.00002 0.00003 -0.00004 0.00000 0.00006 -0.00006 0.00001 0.00001 0.00002 -0.00000 -0.00002 -0.00002 0.00005 0.00002 -0.00003 0.00007 -0.00008 -0.00003 -0.00001 0.00001 -0.00003 0.00003 0.00001 -0.00001 -0.00005 0.00004 0.00001 0.00001 0.00003 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00001 -0.00001 0.00000 0.00000 -0.00001 0.00005 -0.00004 -0.00001 0.00002 0.00000 -0.00002 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00002 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00010 -0.00013 -0.00005 0.00005 0.00004 0.00004 0.00011 0.00016 0.00012 -0.00008 -0.00012 -0.00009 0.00293 0.00274 -0.00269 -0.00271 0.00003 0.00002 0.00022 0.00035 0.00031 0.00024 0.00037 0.00033 0.00002 0.00003 0.00001 0.00002 -0.00005 0.00001 -0.00005 -0.00006 0.00006 0.00001 -0.00044 -0.00055 -0.00049 -0.00047 -0.00058 -0.00053 -0.00051 -0.00062 -0.00057 0.00012 -0.00004 0.00015 -0.00001 0.00015 -0.00001 0.00003 0.00005 0.00007 0.00004 0.00006 0.00008 0.00000 0.00002 0.00004 0.00014 0.00013 0.00013 0.00012 0.00010 0.00011 0.00016 0.00014 0.00015 -0.00025 -0.00028 -0.00010 -0.00012 0.00026 0.00016 0.00011 0.00001 -0.00001 0.00003 0.00001 0.00005 0.00002 -0.00007 0.00012 0.00003 -0.00008 0.00012 -0.00012 0.00008 0.00005 -0.00014 0.00013 -0.00005 0.00008 0.00003 0.00009 0.00004 -0.00003 -0.00002 -0.00005 -0.00003 -0.00006 0.00000 -0.00000 0.00005 -0.00003 0.00004 -0.00005 0.00003 -0.00005 -0.00002 -0.00011 -0.00008 0.00010 0.00007 0.00003 -0.00000 3.34342 3.33796 2.68644 2.73860 2.68873 2.71447 2.60007 2.63314 2.57102 2.74391 2.54369 2.49629 2.50427 2.57511 2.91616 2.89517 2.87211 2.85662 2.07073 2.05352 2.06038 2.05899 2.07174 2.64379 2.64769 2.06737 2.06596 2.06457 2.63317 2.62003 2.04439 2.63099 2.04292 2.63352 2.04701 2.03748 2.03990 2.62759 2.62605 2.63199 2.04725 2.63283 2.04720 2.63046 2.04589 2.62953 2.04572 1.90390 1.87915 2.08288 2.12344 1.91138 2.24448 1.79378 1.79613 1.85891 1.95162 1.92072 1.85708 1.94346 1.93029 1.77009 1.91043 1.89457 2.02311 1.92144 1.93431 1.94784 1.88338 1.89924 1.93445 1.89255 1.90582 1.78813 1.88531 1.92686 1.98823 1.94563 1.92416 2.16745 2.07920 2.03636 1.91604 1.93061 1.92808 1.90039 1.88840 1.89955 2.12875 2.01878 2.13565 2.13508 2.06648 2.08162 2.07709 2.09473 2.11136 2.08196 2.11478 2.08644 2.15216 2.03083 2.10019 1.92332 2.14263 2.21723 2.00013 2.12717 2.15586 2.08409 2.07841 2.11954 2.08424 2.09097 2.10797 2.08417 2.09048 2.10854 2.07660 2.10147 2.10512 2.07682 2.10139 2.10497 2.07936 2.07882 2.12500 0.11781 -1.90403 2.22659 -0.45139 -2.59768 1.57214 0.29614 2.38058 -1.79799 -0.56700 -2.67116 1.50692 0.06834 -3.07788 1.52382 -1.66865 3.06180 0.00722 -1.61631 0.51311 2.57907 1.42027 -2.73349 -0.66752 -0.00838 3.13306 -3.05518 0.08625 -0.00392 3.13004 0.00553 -3.13589 -0.00088 -3.13470 0.93587 -1.16384 3.02762 -1.08709 3.09638 1.00465 3.08301 0.98330 -1.10843 0.92038 -2.24165 2.97756 -0.18447 -1.24460 1.87656 0.60836 2.63977 -1.45230 2.67527 -1.57650 0.61461 -1.39530 0.63611 2.82723 3.12111 1.02350 -1.08091 1.13318 -0.96443 -3.06884 -1.07297 3.11261 1.00820 -0.00990 3.13133 -3.13152 0.00971 -3.13185 0.01169 -0.00918 3.13437 3.13577 -0.00625 -0.00548 3.13569 0.00443 -3.13895 -3.13913 0.00068 3.13704 0.00025 -0.00412 -3.14092 -3.13686 0.00026 0.00649 -3.13958 3.08992 -0.05201 0.00044 -3.14149 -3.08896 0.05260 0.00068 -3.14094 -0.00046 -3.13893 3.14147 0.00300 -0.00174 3.13884 3.13988 -0.00273 -3.13915 -0.00063 -0.00069 3.13783 3.14026 0.00174 -0.00031 -3.13883 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000019 0.000004 0.012121 0.002425 0.000450 0.000300 0.001800 0.001200 YES YES NO NO -4.335850e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 739 A 712 A 712 1142 739 105 105 2687.7942585783 44 44 44 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 -0.0516584699 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 7.883956 0.000000 3.055660 10.528244 0.000000 4.605412 11.381243 2.279207 0.000000 5.118430 5.908822 6.391269 6.323308 0.000000 4.451344 11.989175 2.871125 2.849191 7.863948 0.000000 4.510795 12.275777 3.161314 3.902939 8.648944 1.360523 0.000000 6.498372 14.165259 4.436281 4.149276 9.927002 2.190834 2.258425 0.000000 3.205240 10.305124 1.421583 1.422839 5.721443 2.477768 3.320785 4.338049 0.000000 4.478737 11.798192 1.449225 2.305388 7.400149 3.301225 3.568026 4.181713 2.338483 0.000000 3.444858 10.664056 2.456180 2.376096 6.439682 1.452013 2.456278 3.603873 1.543149 3.362603 0.000000 5.128673 11.943761 2.298324 1.436426 6.960659 3.667911 4.398353 4.533849 2.308344 1.519853 3.501953 0.000000 2.776448 8.945400 2.421077 2.441083 4.191790 3.819978 4.633566 5.812805 1.532071 3.494441 2.528288 3.260286 0.000000 4.981323 11.942222 2.417639 3.663915 7.874053 4.695386 4.694628 5.414279 3.599787 1.511655 4.730461 2.569689 4.420160 0.000000 1.769258 7.716527 3.020310 3.763708 3.685398 4.563921 5.103673 6.677263 2.591029 4.328667 3.246730 4.438884 1.399039 4.992826 0.000000 4.045763 9.063754 3.551236 2.743969 3.627754 4.757050 5.765569 6.591046 2.529835 4.291035 3.500006 3.563710 1.401108 5.181777 2.383349 0.000000 2.684702 6.503600 4.344266 4.877858 2.436264 5.889974 6.467457 8.020352 3.874211 5.574581 4.512042 5.531692 2.446638 6.098579 1.393430 2.774958 0.000000 4.538835 8.080605 4.728023 4.124126 2.353245 6.036328 7.002394 7.940840 3.826445 5.538866 4.693788 4.841205 2.441968 6.251089 2.771803 1.386454 2.416647 0.000000 3.993199 6.728203 5.043597 5.012430 1.375885 6.513603 7.298531 8.571211 4.348746 6.080645 5.103469 5.689578 2.817718 6.648557 2.400329 2.398913 1.392256 1.393601 0.000000 5.739671 13.184402 3.750248 3.069311 8.735017 1.346057 2.210521 1.325200 3.300097 3.708427 2.521692 3.775439 4.700411 5.134398 5.659832 5.378154 6.950151 6.712682 7.397520 0.000000 5.802879 13.593022 4.073558 4.493367 9.815098 2.095434 1.320972 1.362686 4.272312 4.047210 3.491788 4.810840 5.708247 5.117032 6.324892 6.722431 7.699829 8.027444 8.451951 2.102396 0.000000 5.280473 4.516554 7.107118 7.374129 1.393402 8.614188 9.253728 10.748792 6.580196 8.234151 7.188652 7.994552 5.065522 8.609237 4.216318 4.787171 2.824723 3.637421 2.390257 9.609129 10.490113 0.000000 5.607563 4.023816 7.755879 8.009613 2.403643 8.893872 9.512842 11.065532 7.128591 8.990946 7.461692 8.800884 5.669151 9.498621 4.744750 5.491294 3.433361 4.424889 3.215762 9.923475 10.776113 1.390447 0.000000 5.688038 4.023670 7.532990 8.058659 2.399027 9.378140 9.902652 11.487263 7.240872 8.600805 8.004118 8.472986 5.767279 8.737961 4.830387 5.588476 3.495749 4.503032 3.273327 10.413278 11.142796 1.389658 2.424932 0.000000 6.288935 2.729851 8.735028 9.212450 3.673877 9.902825 10.396074 12.091797 8.231022 10.019982 8.505040 9.964185 6.814971 10.435624 5.738808 6.779780 4.462676 5.760512 4.481884 11.005716 11.691295 2.403263 1.392808 2.799562 0.000000 6.362164 2.729027 8.538282 9.256135 3.671058 10.342172 10.756023 12.481007 8.329704 9.671526 8.986977 9.675911 6.897944 9.747481 5.811000 6.859643 4.511864 5.821428 4.524048 11.451515 12.032173 2.402911 2.799328 1.393230 2.431570 0.000000 6.623680 1.766369 9.075654 9.760354 4.142638 10.566862 10.970740 12.746490 8.758974 10.314722 9.196471 10.343233 7.340830 10.533103 6.191694 7.356540 4.899742 6.330243 4.993642 11.707687 12.273940 2.750187 2.399209 2.399308 1.391974 1.391493 0.000000 4.999027 12.601178 2.076384 2.718260 8.294351 2.852474 2.927710 3.260355 2.829726 1.095780 3.387247 2.157522 4.221186 2.159583 5.056963 5.072627 6.379981 6.386116 6.944842 3.058452 3.127307 9.113592 9.776191 9.542151 10.792047 10.581006 11.148361 0.000000 2.748455 10.000640 2.784296 3.331626 6.316178 2.063872 2.564167 4.223116 2.180569 3.959494 1.086674 4.349009 2.751236 5.153838 2.972407 3.909087 4.200676 4.911870 5.025367 3.326945 3.799746 6.871185 7.019810 7.665096 7.942485 8.520732 8.630194 4.014399 0.000000 4.141078 10.773003 3.370896 2.581255 6.302158 2.078109 3.281366 3.971966 2.152779 4.159860 1.090305 3.939121 2.773513 5.583548 3.608563 3.365008 4.678776 4.484771 5.036597 2.730397 4.144136 7.138203 7.322499 8.099315 8.439058 9.123971 9.258348 4.204268 1.774488 0.000000 6.158917 12.998816 3.247522 2.053972 7.877614 4.026687 4.771860 4.377349 3.206108 2.199947 4.147127 1.089574 4.243613 3.119676 5.482181 4.397450 6.564497 5.670520 6.635317 3.759503 4.900314 8.972017 9.772313 9.478749 10.969415 10.708892 11.379441 2.422429 5.095014 4.467048 0.000000 5.255250 11.511905 2.755378 2.088837 6.427361 4.617705 5.342789 5.626205 2.789422 2.175300 4.204787 1.096321 3.246141 2.699811 4.353112 3.290532 5.246276 4.386302 5.251208 4.824606 5.853296 7.493389 8.429798 7.870928 9.600414 9.113100 9.888524 3.062009 4.956727 4.584010 1.793280 0.000000 6.066377 12.949782 3.366218 4.169496 8.728790 5.295288 5.304475 5.630934 4.409825 2.145058 5.504315 2.866754 5.307062 1.094004 6.001666 5.917302 7.084523 7.006876 7.526543 5.488801 5.485352 9.531951 10.466476 9.644605 11.436829 10.688750 11.522322 2.502368 6.041270 6.291809 3.048319 2.990417 0.000000 4.817716 11.232073 2.668337 3.863302 7.169458 5.316179 5.441313 6.299184 3.730073 2.154998 5.064628 2.807044 4.171915 1.093261 4.636416 4.802247 5.563482 5.699836 6.032502 5.854319 6.018971 7.888314 8.876065 7.914085 9.801081 8.937758 9.812131 3.068836 5.431419 5.853006 3.517940 2.507586 1.779406 0.000000 4.841857 11.927877 2.692009 4.403798 8.330716 4.850701 4.546214 5.539238 4.063194 2.152653 4.986304 3.500101 4.895469 1.092524 5.231879 5.852000 6.366238 6.886789 7.107078 5.425732 4.985704 8.922409 9.747081 8.988527 10.577498 9.882068 10.624559 2.488342 5.220284 5.956280 4.060201 3.727055 1.771155 1.777676 0.000000 4.912197 10.091620 3.790803 2.318877 4.487057 4.703455 5.839442 6.285347 2.689388 4.205063 3.643634 3.149466 2.139021 5.199387 3.364270 1.081845 3.856797 2.135235 3.377436 5.056216 6.626156 5.735515 6.439249 6.542393 7.763330 7.849979 8.367244 4.909658 4.306537 3.373812 3.778349 2.917811 5.772120 4.918934 6.001396 0.000000 2.779802 5.570344 5.037545 5.850577 2.713357 6.589875 7.012337 8.743680 4.738754 6.329366 5.252713 6.454440 3.418244 6.727906 2.148874 3.855951 1.081068 3.401615 2.157825 7.738442 8.291713 2.530565 2.979861 3.009985 3.744074 3.769136 4.065666 7.110685 4.757646 5.486558 7.511704 6.175673 7.754768 6.172219 6.855332 4.937794 0.000000 5.621585 8.460732 5.634835 4.728619 2.555166 6.839477 7.890493 8.634476 4.686249 6.292534 5.544550 5.399049 3.424323 6.989744 3.855009 2.156436 3.393863 1.083232 2.145754 7.376564 8.846198 3.945497 4.746768 4.815474 6.112036 6.165998 6.694670 7.140661 5.857234 5.206004 6.103079 4.857830 7.646959 6.404864 7.714473 2.476038 4.292629 0.000000 6.228688 13.358425 4.196693 2.881249 8.579692 2.131946 3.236565 2.154055 3.467668 4.080543 2.845933 3.725758 4.728178 5.552066 5.847489 5.129000 7.041006 6.441392 7.287931 1.078189 3.159998 9.562986 9.893291 10.436630 11.055567 11.546570 11.812708 3.595803 3.801589 2.683816 3.567593 4.709202 5.837121 6.172722 6.019371 4.628708 7.917931 6.972055 0.000000 6.417928 14.226990 4.809920 5.475359 10.710148 3.136493 2.101506 2.155661 5.207253 4.710368 4.479582 5.639029 6.624917 5.557359 7.137107 7.701389 8.515195 8.993357 9.349677 3.144499 1.079468 11.319752 11.597505 11.909395 12.446727 12.739815 12.979251 3.733937 4.653817 5.181442 5.694674 6.661537 5.854442 6.523195 5.253046 7.640984 9.032806 9.841501 4.173712 0.000000 5.662209 4.887860 7.694924 7.731477 2.627966 8.504595 9.206761 10.653615 6.901724 8.936225 7.071246 8.666516 5.495064 9.606582 4.715660 5.256069 3.546654 4.252024 3.241556 9.476406 10.441476 2.145790 1.083361 3.400168 2.158216 3.882551 3.389502 9.652023 6.657841 6.796383 9.588883 8.386076 10.564088 9.070988 9.895371 6.135005 3.310869 4.534255 9.386642 11.301756 0.000000 5.801571 4.887720 7.292652 7.820467 2.620349 9.378032 9.905592 11.414334 7.104610 8.229354 8.050596 8.068117 5.672014 8.232376 4.866191 5.433564 3.652134 4.394227 3.341386 10.362731 11.099897 2.144764 3.400076 1.083332 3.882750 2.158891 3.389658 9.228398 7.813850 8.206362 9.052874 7.363862 9.076991 7.330917 8.532411 6.324454 3.358037 4.660304 10.373558 11.860221 4.283497 0.000000 6.826805 2.869214 9.389867 9.844028 4.553270 10.311354 10.784019 12.494075 8.831086 10.720964 8.936507 10.688470 7.472313 11.215844 6.396983 7.480498 5.210363 6.515470 5.288633 11.419261 12.078613 3.388865 2.153694 3.882178 1.082640 3.410551 2.155125 11.429417 8.311065 8.816166 11.681514 10.400282 12.236295 10.643236 11.322840 8.445888 4.491919 6.863938 11.477893 12.819866 2.495148 4.965386 0.000000 6.945107 2.867864 9.063469 9.915796 4.549146 11.047458 11.390757 13.153167 8.992756 10.138471 9.734672 10.208702 7.605329 10.060447 6.510706 7.607871 5.284292 6.610325 5.351483 12.169517 12.656328 3.388317 3.881854 2.153952 3.410493 1.082550 2.154538 11.074234 9.268445 9.949656 11.245278 9.592950 10.974202 9.200456 10.149998 8.586100 4.528287 6.948688 12.302956 13.318777 4.965096 2.495929 4.301604 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4158942 0.0642514 0.0620154 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= 712 RedAO= T EigKep= 1.10D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 4.56D-07 NBFU= 709 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= 712 712 712 712 712 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.97496348503 -2044.97496349 1 2.038184051391e+03 -1.018371496790e+04 3.412817364195e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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= 44. Will process 45 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=11111111111111111111111111111111111111111111 NEqPCM: Using equilibrium solvation (IEInf=0, Eps= 9.8629, EpsInf= 2.0435) 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. 13680 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 2831155200 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= 720000000 NMat= 132 IRICut= 330 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 135 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 132 vectors produced by pass 0 Test12= 6.34D-14 1.00D-09 XBig12= 3.22D+02 5.91D+00. AX will form 132 AO Fock derivatives at one time. 132 vectors produced by pass 1 Test12= 6.34D-14 1.00D-09 XBig12= 5.99D+01 1.04D+00. 132 vectors produced by pass 2 Test12= 6.34D-14 1.00D-09 XBig12= 4.72D-01 5.60D-02. 132 vectors produced by pass 3 Test12= 6.34D-14 1.00D-09 XBig12= 2.33D-03 3.09D-03. 132 vectors produced by pass 4 Test12= 6.34D-14 1.00D-09 XBig12= 6.63D-06 2.06D-04. 127 vectors produced by pass 5 Test12= 6.34D-14 1.00D-09 XBig12= 1.37D-08 1.02D-05. 63 vectors produced by pass 6 Test12= 6.34D-14 1.00D-09 XBig12= 2.11D-11 3.49D-07. 3 vectors produced by pass 7 Test12= 6.34D-14 1.00D-09 XBig12= 2.80D-14 1.79D-08. InvSVY: IOpt=1 It= 1 EMax= 1.28D-14 Solved reduced A of dimension 853 with 135 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 366.89 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 448.523 -26.856 345.351 10.416 -27.578 306.792 466.539 -34.912 406.578 15.908 -40.146 358.336 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT83902.400S Wed Jul 7 09:04:09 2021 6.62548533e-01 2.02630820e+00 -2.80669694e-01 4.48522922e+02 -2.68563978e+01 3.45350956e+02 1.04156951e+01 -2.75775361e+01 3.06791950e+02 -9.2725 -5.3650 -0.0017 -0.0016 -0.0013 3.9603 11.5299 27.6418 30.4135 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A -5.4456 27.4231 30.3557 33.9279 47.4500 48.7282 60.0055 74.1650 98.1053 117.0664 129.6865 147.6328 173.7711 181.5667 198.0706 235.5076 250.7753 261.6635 275.0148 288.5182 322.0948 340.4482 354.6789 384.2133 401.8823 416.3881 426.8939 432.2186 450.5451 462.4468 476.8611 510.7989 530.5823 591.2087 610.1199 625.1711 641.5872 645.3505 657.2400 676.5454 690.8507 705.4717 720.6037 736.4879 749.6823 809.5702 826.9836 827.3719 838.9416 861.6822 868.8351 874.8472 880.9375 894.2035 899.2969 912.7706 928.7098 948.2475 966.3580 967.3103 981.5880 983.0039 989.9352 1021.1137 1027.0213 1033.3542 1053.3251 1069.5328 1087.9873 1095.9043 1123.8119 1141.2231 1142.1990 1157.7309 1162.2085 1175.3685 1182.8221 1207.2653 1209.4433 1227.2073 1236.1539 1242.5035 1252.7525 1286.1797 1289.5611 1313.6730 1314.9921 1318.9273 1332.0639 1348.2876 1368.2880 1387.9128 1395.7085 1404.1242 1421.5075 1424.8414 1425.8977 1457.4726 1473.7645 1479.4226 1485.6719 1502.4457 1503.5068 1511.2406 1532.2258 1601.0114 1619.0574 1622.6667 1637.7974 3020.7544 3030.8148 3032.4636 3100.2383 3100.3059 3107.2897 3126.0776 3170.8851 3192.3460 3192.7242 3193.7910 3205.7812 3207.0253 3208.9348 3213.4863 3246.6931 3266.6242 7.7520 11.3672 4.8974 5.8804 6.3262 4.1501 6.4187 4.8491 6.1806 4.2362 4.2055 6.8228 5.8015 6.3460 6.6939 1.3187 4.3167 4.3352 7.3948 5.5563 7.2796 6.8523 4.5171 4.7182 2.1745 7.9505 3.0209 5.5283 6.1805 3.2527 2.9340 4.3274 3.5016 4.1679 3.4664 5.5244 7.0383 4.4846 5.7494 3.5220 3.7914 7.8498 4.8228 3.4224 4.4767 6.2273 1.7808 2.0382 1.5084 2.4283 2.2487 1.5486 1.4891 2.8041 1.4389 4.6438 2.4488 7.0038 1.4579 1.4430 1.6976 1.3558 2.8551 4.5876 3.6507 6.2356 3.1883 2.5912 2.9660 2.6238 1.2979 2.5317 2.3167 1.3721 1.9651 2.4836 1.2307 2.2277 2.9786 1.7193 3.2327 3.6894 1.4107 2.1374 1.6765 8.1237 1.3454 6.8020 2.0850 1.6567 1.1842 1.8293 1.8391 1.2700 2.6366 1.7615 2.9662 1.3568 1.0708 2.4137 1.0477 1.1634 2.2881 2.4105 3.7177 7.6947 6.1180 7.3009 6.5911 1.0721 1.0427 1.0721 1.0748 1.0903 1.1034 1.1003 1.1037 1.0901 1.0900 1.0899 1.0959 1.0966 1.0938 1.0922 1.0965 1.1003 0.0001 0.0050 0.0027 0.0040 0.0084 0.0058 0.0136 0.0157 0.0350 0.0342 0.0417 0.0876 0.1032 0.1233 0.1547 0.0431 0.1599 0.1749 0.3295 0.2725 0.4450 0.4679 0.3348 0.4104 0.2069 0.8122 0.3244 0.6085 0.7392 0.4098 0.3931 0.6652 0.5808 0.8583 0.7603 1.2721 1.7070 1.1004 1.4633 0.9498 1.0662 2.3018 1.4755 1.0937 1.4824 2.4047 0.7176 0.8220 0.6255 1.0623 1.0001 0.6983 0.6809 1.3211 0.6856 2.2796 1.2444 3.7104 0.8022 0.7955 0.9637 0.7719 1.6485 2.8183 2.2687 3.9231 2.0842 1.7464 2.0686 1.8566 0.9658 1.9427 1.7808 1.0835 1.5639 2.0216 1.0145 1.9130 2.5671 1.5256 2.9105 3.3558 1.3044 2.0832 1.6426 8.2599 1.3707 6.9715 2.1798 1.7744 1.3062 2.0761 2.1108 1.4753 3.1391 2.1070 3.5533 1.6981 1.3703 3.1125 1.3625 1.5474 3.0475 3.2436 5.1424 11.6207 9.4490 11.3262 10.4166 5.7637 5.6432 5.8086 6.0868 6.1745 6.2766 6.3350 6.5380 6.5455 6.5465 6.5503 6.6360 6.6452 6.6358 6.6451 6.8099 6.9178 0.0980 0.3302 0.1500 0.1978 1.0508 4.4954 0.6103 1.4366 1.1286 3.5620 0.1867 0.1434 2.7084 1.2026 2.4138 0.0797 3.5834 1.0880 1.8617 2.3733 0.6192 7.6521 6.1794 2.2818 2.5458 3.1245 0.2179 7.3708 8.3481 9.5387 6.8264 56.3250 14.1722 9.3993 15.6199 33.4216 1.2578 1.6061 22.8556 55.2686 20.5634 28.1204 0.4252 10.8411 15.4310 10.6962 0.4428 0.5504 40.4787 38.1318 72.0368 46.2709 29.3983 49.2887 15.6153 124.9412 20.4589 17.3817 3.1811 12.6242 25.5172 0.1422 65.8460 25.6757 80.1387 183.2577 89.8669 47.7209 98.9555 65.6194 19.1869 148.5165 74.8101 4.2497 6.1366 170.2625 4.3616 23.5317 22.5250 19.2137 468.2073 400.9281 10.0912 52.0025 23.8916 6.5542 5.1249 80.5742 15.8264 15.8450 4.3478 17.5074 11.4647 10.4551 31.6956 5.2263 4.3739 33.4982 11.2858 22.7500 5.7009 31.1740 315.6808 166.8871 104.1319 67.8855 82.3915 6.0244 163.1626 27.4746 18.4741 81.1087 5.3309 36.2635 33.7302 32.5007 0.2049 3.2996 1.1934 0.2312 0.1412 0.1377 2.5314 3.1864 1.4118 4.6906 0.01 -0.08 -0.17 0.01 0.09 0.19 0.05 -0.03 0.00 0.01 0.02 0.06 -0.00 -0.07 -0.16 -0.06 0.05 0.03 -0.05 0.04 0.02 -0.06 0.09 0.11 -0.00 -0.01 -0.00 0.07 -0.03 0.06 -0.06 0.02 -0.01 0.06 -0.01 0.09 -0.00 -0.03 -0.05 0.13 -0.07 0.06 0.00 -0.06 -0.12 -0.01 -0.01 -0.02 0.00 -0.07 -0.16 -0.01 -0.02 -0.06 -0.00 -0.05 -0.12 -0.07 0.08 0.08 -0.06 0.07 0.07 -0.00 -0.03 -0.08 0.14 0.03 -0.07 -0.14 -0.05 -0.01 0.15 0.07 0.01 -0.14 -0.02 0.08 0.00 0.04 0.09 0.06 -0.01 0.08 -0.07 0.01 -0.05 -0.09 0.04 -0.01 0.05 0.01 0.14 0.08 -0.03 0.08 0.15 -0.07 0.11 0.15 -0.09 0.04 0.14 -0.08 0.04 -0.01 0.01 0.03 0.00 -0.10 -0.21 -0.01 -0.01 -0.03 -0.07 0.10 0.10 -0.05 0.07 0.07 0.25 0.05 -0.13 -0.25 -0.10 -0.02 0.26 0.12 0.02 -0.25 -0.04 0.13 -0.08 -0.06 0.08 0.29 0.22 -0.08 -0.06 -0.02 0.02 0.00 -0.01 0.01 -0.01 -0.14 0.03 -0.09 0.05 -0.03 -0.18 0.08 -0.04 -0.09 0.19 -0.10 -0.04 -0.03 0.02 -0.06 -0.01 -0.00 -0.06 -0.02 0.02 -0.01 -0.00 0.01 -0.02 -0.07 0.03 -0.09 -0.02 0.00 -0.04 -0.08 0.05 0.00 -0.09 0.01 -0.03 -0.11 0.06 0.01 -0.12 0.00 -0.01 -0.13 0.03 -0.03 0.12 -0.07 -0.18 0.16 -0.09 0.01 -0.11 0.03 0.00 -0.15 0.06 0.08 -0.01 -0.02 0.08 -0.06 0.03 0.16 0.09 -0.04 0.16 0.07 -0.02 -0.06 0.01 -0.03 -0.11 -0.05 0.06 -0.00 -0.04 0.02 0.00 0.02 -0.01 -0.01 -0.02 0.03 -0.09 -0.00 -0.01 -0.09 -0.03 0.03 -0.12 -0.02 -0.00 0.01 -0.09 -0.01 -0.04 -0.11 0.08 0.03 -0.14 -0.02 0.04 0.12 -0.06 -0.24 0.19 -0.11 -0.05 -0.23 0.09 0.09 0.02 -0.04 0.08 -0.07 0.05 0.22 0.18 -0.09 -0.03 -0.04 -0.04 0.06 0.01 -0.09 -0.02 0.04 -0.02 -0.00 -0.03 -0.09 0.00 0.02 0.12 -0.02 -0.04 0.04 -0.02 0.01 0.10 -0.02 -0.02 0.06 -0.01 -0.02 -0.04 -0.01 0.08 -0.06 -0.02 -0.06 0.01 0.00 0.03 -0.12 -0.01 -0.03 -0.02 -0.01 0.16 -0.08 -0.01 -0.03 -0.02 0.00 -0.01 0.01 -0.01 -0.02 0.02 0.01 0.00 0.06 -0.00 -0.00 0.07 -0.02 -0.06 0.01 -0.02 0.02 0.11 0.00 0.00 0.08 0.09 0.15 -0.02 -0.07 -0.14 0.14 0.11 0.15 -0.07 -0.06 -0.15 0.09 0.03 0.00 -0.02 -0.02 0.08 -0.03 -0.02 -0.06 0.04 -0.02 -0.10 -0.00 0.01 0.03 -0.15 0.01 0.05 -0.16 -0.00 0.19 -0.11 -0.00 0.16 -0.10 -0.02 0.19 -0.03 0.01 -0.01 0.01 -0.01 -0.03 0.02 0.01 0.02 0.10 -0.01 -0.09 -0.03 -0.02 0.06 0.15 0.15 0.27 -0.06 -0.14 -0.26 0.22 0.18 0.27 -0.15 -0.12 -0.26 0.13 0.01 0.08 0.17 0.01 0.00 0.01 -0.01 0.03 0.06 0.00 0.03 0.06 0.00 -0.07 -0.15 0.04 0.02 -0.01 0.02 0.01 -0.03 0.05 -0.03 -0.13 0.01 0.03 0.07 -0.07 -0.03 0.02 0.05 0.03 0.05 -0.07 -0.01 0.05 0.01 0.04 0.08 -0.16 -0.05 0.03 0.01 0.04 0.08 0.00 0.01 0.02 0.01 0.01 0.01 0.00 -0.02 -0.04 0.00 -0.02 -0.05 0.06 -0.00 -0.07 0.02 -0.02 -0.10 0.00 -0.05 -0.10 0.14 0.06 -0.14 -0.13 -0.14 -0.03 0.14 0.08 -0.11 -0.13 -0.13 0.01 0.00 -0.02 -0.04 -0.04 -0.06 -0.04 0.05 0.04 0.07 0.08 0.04 0.06 -0.08 -0.03 0.02 -0.11 0.01 0.09 -0.21 -0.09 -0.00 -0.19 -0.02 0.10 -0.16 -0.06 0.01 0.00 0.01 0.02 0.01 0.00 -0.01 0.00 -0.04 -0.08 0.08 -0.00 -0.06 0.01 -0.03 -0.14 0.24 0.13 -0.20 -0.23 -0.22 0.00 0.24 0.16 -0.14 -0.24 -0.21 0.07 -0.11 0.02 -0.07 0.10 0.03 0.01 -0.05 0.07 -0.04 -0.01 0.13 0.00 0.02 -0.08 -0.02 0.02 0.03 -0.00 0.18 -0.07 -0.07 0.02 -0.14 0.19 -0.03 0.11 -0.02 -0.08 0.03 -0.05 -0.02 0.15 -0.08 -0.06 0.07 0.01 -0.02 0.08 0.01 -0.15 -0.04 -0.03 -0.05 0.03 -0.02 0.02 0.08 0.04 -0.04 -0.03 -0.03 0.04 0.03 0.04 0.01 -0.03 -0.00 -0.07 -0.01 0.15 0.17 -0.17 0.05 0.01 -0.09 0.00 0.01 -0.11 0.02 0.02 -0.06 -0.00 0.03 -0.08 0.03 0.04 -0.03 0.00 0.05 -0.03 0.01 -0.07 0.02 -0.11 0.05 0.18 -0.19 -0.11 0.23 -0.06 -0.06 0.07 -0.00 -0.09 0.06 0.07 -0.18 -0.07 -0.04 -0.17 -0.03 0.03 -0.16 -0.06 -0.08 0.05 0.13 0.07 -0.06 -0.07 -0.05 0.07 0.03 0.07 -0.19 0.06 0.22 0.27 -0.27 0.04 0.01 -0.13 0.03 0.01 -0.05 -0.02 0.04 -0.08 0.04 0.05 0.01 -0.01 -0.05 0.03 0.07 0.02 0.02 -0.01 -0.04 -0.03 -0.02 -0.03 0.01 0.01 -0.02 -0.02 0.01 -0.02 -0.00 -0.04 0.01 -0.10 -0.15 -0.02 -0.07 -0.04 -0.03 0.00 -0.01 0.09 0.10 0.07 -0.03 0.02 -0.03 0.12 0.07 0.04 -0.03 -0.00 -0.00 0.27 0.12 0.05 -0.04 0.01 0.03 -0.02 -0.02 -0.03 -0.03 0.00 0.04 -0.02 -0.03 -0.03 -0.03 -0.02 0.01 -0.04 0.02 0.03 0.01 -0.14 -0.15 -0.02 -0.02 0.02 -0.00 0.00 0.00 -0.04 -0.04 0.03 0.01 0.02 -0.01 -0.03 -0.03 0.02 -0.01 0.00 0.00 0.02 0.18 0.17 -0.01 0.03 -0.06 -0.03 0.05 -0.02 0.15 0.15 0.11 0.22 0.02 -0.03 0.38 0.21 0.13 0.35 0.02 -0.06 0.24 0.13 0.08 -0.02 -0.03 -0.06 -0.04 0.01 0.06 -0.01 -0.04 -0.05 -0.06 0.09 0.12 0.03 -0.22 -0.22 0.01 0.02 -0.00 -0.06 -0.06 0.04 0.02 0.04 -0.02 -0.04 -0.04 0.02 0.00 0.07 0.13 -0.01 -0.02 -0.02 0.02 -0.07 -0.10 0.02 -0.01 -0.04 0.01 0.04 0.06 -0.02 0.01 -0.05 0.02 -0.05 -0.11 -0.02 0.18 0.25 0.01 -0.03 -0.08 0.00 -0.11 -0.07 -0.02 -0.01 -0.11 -0.00 -0.07 -0.02 0.01 -0.04 -0.09 -0.01 -0.18 -0.06 0.01 0.02 0.03 0.01 -0.09 -0.19 0.01 0.04 0.07 0.01 -0.07 -0.16 0.01 0.00 -0.01 -0.04 0.15 0.17 0.02 0.05 0.07 0.01 0.03 0.05 0.02 0.07 0.02 -0.01 -0.01 0.06 0.01 0.06 -0.01 -0.01 -0.03 0.04 -0.00 0.01 0.01 0.01 -0.11 -0.10 -0.02 -0.01 -0.14 -0.04 0.01 -0.10 -0.00 -0.07 -0.01 -0.01 -0.08 0.02 -0.02 -0.22 -0.03 -0.02 -0.18 -0.03 -0.00 -0.21 -0.11 0.01 -0.14 -0.29 0.01 0.09 0.17 0.01 -0.11 -0.23 -0.07 0.23 0.26 0.04 0.04 0.08 0.02 0.11 0.01 -0.01 -0.04 0.08 0.02 0.09 -0.03 -0.02 -0.07 0.05 -0.06 0.05 0.02 0.03 0.01 -0.02 0.02 -0.03 -0.06 -0.02 0.06 0.04 0.00 -0.00 0.04 -0.02 0.02 -0.03 0.03 0.17 0.18 -0.02 -0.14 -0.09 -0.02 0.04 -0.04 0.05 -0.04 0.02 -0.04 0.08 -0.08 0.05 0.01 0.09 -0.02 0.02 -0.06 0.09 -0.16 0.04 -0.03 0.03 -0.01 0.00 -0.01 -0.11 -0.03 0.02 0.02 0.01 -0.02 -0.09 -0.01 -0.00 -0.01 -0.05 -0.16 -0.19 0.03 0.07 0.13 -0.01 -0.02 0.04 -0.01 -0.01 0.03 -0.01 -0.04 0.05 -0.00 -0.01 0.02 -0.00 -0.03 0.03 0.01 -0.01 0.01 0.03 -0.01 0.00 0.01 0.10 -0.16 -0.11 0.14 -0.07 0.06 0.05 0.16 0.09 -0.04 0.11 0.11 -0.18 0.11 0.11 -0.19 0.05 0.10 -0.20 -0.04 0.01 -0.02 -0.16 -0.04 0.03 0.07 0.03 -0.05 -0.13 -0.09 -0.30 -0.37 0.07 0.15 0.27 -0.01 0.00 0.03 -0.01 -0.05 0.06 -0.00 0.01 0.01 0.00 -0.04 0.03 -0.04 0.00 0.05 -0.00 0.06 0.01 -0.10 -0.12 -0.08 -0.04 -0.08 -0.05 -0.04 -0.05 -0.08 0.11 -0.06 -0.14 0.11 0.05 -0.00 0.11 0.14 0.10 -0.01 -0.05 -0.04 -0.00 -0.02 -0.02 0.10 -0.03 -0.11 0.01 -0.04 -0.05 -0.03 0.02 0.08 0.14 0.01 -0.04 -0.03 0.00 0.05 -0.04 0.07 0.18 -0.03 -0.01 0.02 -0.04 0.07 0.18 -0.04 0.01 0.05 0.12 0.00 -0.07 0.11 0.17 0.13 -0.05 -0.05 -0.06 -0.05 -0.07 -0.03 -0.08 -0.03 -0.05 -0.04 -0.05 -0.01 -0.07 -0.01 -0.03 -0.05 -0.01 -0.01 -0.06 0.04 0.06 0.13 -0.01 -0.12 0.11 0.02 -0.09 0.03 -0.01 -0.03 0.05 -0.06 -0.09 0.22 0.09 0.02 0.20 -0.07 -0.14 0.11 0.03 -0.01 -0.04 0.10 0.24 -0.03 -0.04 -0.04 -0.04 0.10 0.24 0.12 -0.05 -0.14 0.11 0.27 0.26 -0.04 -0.09 -0.04 -0.09 -0.02 -0.07 -0.02 -0.06 0.01 -0.08 0.01 -0.02 -0.03 -0.05 0.04 -0.07 -0.06 0.04 -0.11 -0.05 -0.03 0.05 0.03 -0.01 -0.02 -0.01 -0.01 -0.03 0.00 -0.03 0.01 0.02 0.01 -0.03 -0.03 0.02 -0.02 -0.02 -0.01 -0.02 0.08 -0.05 -0.04 0.02 -0.05 0.21 0.10 0.02 -0.00 -0.05 0.04 -0.10 -0.04 -0.02 0.00 -0.05 0.04 0.00 -0.04 0.06 0.01 -0.06 0.03 -0.00 -0.04 0.07 0.00 -0.05 0.04 -0.05 -0.03 -0.02 0.00 -0.00 0.04 0.04 0.06 -0.05 0.08 0.09 -0.06 0.07 0.10 -0.06 0.09 0.10 -0.06 0.08 0.11 -0.06 0.06 0.08 -0.04 -0.09 0.23 -0.15 -0.02 0.02 -0.11 -0.06 0.07 -0.04 0.32 0.32 0.06 0.38 -0.08 0.04 -0.03 0.07 -0.05 -0.04 -0.21 0.09 -0.30 -0.07 -0.09 0.00 -0.04 0.07 0.01 -0.06 0.02 -0.01 -0.04 0.08 -0.08 -0.04 -0.04 0.03 0.00 0.07 0.08 0.09 -0.06 0.07 0.10 -0.07 0.09 0.10 -0.06 0.08 0.11 -0.06 0.10 -0.03 -0.02 0.01 0.09 -0.05 -0.01 0.00 0.02 0.07 0.02 0.01 -0.02 0.03 -0.01 0.03 -0.00 0.01 0.02 -0.01 -0.00 0.03 0.01 0.00 0.03 -0.01 0.01 0.01 0.08 -0.03 0.03 -0.01 0.02 0.23 0.10 0.03 0.02 -0.03 0.01 -0.15 -0.03 -0.00 0.03 -0.01 0.00 -0.01 -0.03 -0.03 0.02 0.02 -0.01 -0.02 -0.01 -0.05 -0.01 0.02 -0.02 0.03 0.01 0.01 0.02 -0.00 -0.00 -0.07 -0.02 0.02 -0.11 -0.06 0.04 -0.11 -0.06 0.04 -0.13 -0.07 0.04 -0.13 -0.08 0.05 -0.11 -0.05 0.03 -0.02 0.19 -0.17 0.02 -0.01 0.03 0.04 -0.01 0.02 0.33 0.31 0.07 0.40 -0.07 0.04 -0.13 0.03 -0.07 -0.12 -0.15 0.16 -0.33 -0.07 -0.07 -0.02 -0.06 -0.04 0.04 0.04 -0.00 -0.04 -0.02 -0.08 0.04 0.01 0.02 0.02 -0.00 -0.01 -0.12 -0.05 0.04 -0.11 -0.06 0.04 -0.13 -0.08 0.05 -0.13 -0.09 0.05 0.12 0.11 0.09 0.06 0.00 0.02 0.01 -0.04 -0.10 0.00 -0.01 -0.08 0.06 0.01 -0.06 -0.15 0.01 0.06 -0.14 -0.02 0.03 -0.16 -0.08 -0.01 -0.01 -0.02 -0.09 0.03 -0.03 -0.08 -0.12 -0.05 -0.03 0.06 -0.01 -0.05 0.01 0.02 -0.05 0.04 -0.11 -0.07 0.04 0.05 -0.05 0.02 0.12 0.14 0.03 0.06 -0.05 0.02 0.18 0.22 0.04 0.10 0.03 -0.16 -0.03 0.04 -0.14 -0.07 -0.01 0.02 -0.03 -0.04 0.02 -0.06 -0.01 0.00 -0.05 -0.03 0.01 -0.08 0.01 -0.01 -0.06 -0.00 0.01 -0.06 0.01 0.01 0.00 -0.10 -0.15 -0.07 -0.01 -0.16 -0.12 -0.06 0.08 0.04 -0.02 0.11 -0.06 -0.05 0.06 -0.12 -0.02 0.06 -0.15 -0.05 0.03 -0.15 -0.13 0.02 0.17 0.22 0.03 0.04 -0.10 -0.00 0.26 0.36 -0.18 -0.02 0.05 -0.13 -0.10 -0.04 0.03 -0.07 -0.02 0.01 -0.04 -0.04 0.01 -0.09 0.02 -0.02 -0.05 0.00 0.21 -0.12 0.01 -0.00 0.02 0.00 -0.10 -0.03 -0.03 0.03 0.07 0.02 -0.00 -0.01 -0.03 -0.06 0.11 -0.07 0.05 0.10 -0.03 -0.07 -0.07 0.02 -0.03 0.02 0.01 -0.07 -0.01 0.01 -0.07 0.14 -0.10 -0.16 -0.02 -0.03 0.01 -0.05 0.08 0.05 0.12 -0.02 0.04 -0.01 0.12 0.00 -0.08 0.01 0.03 0.05 0.15 -0.01 -0.06 -0.03 0.01 0.01 0.05 -0.13 0.01 -0.04 0.05 -0.01 0.03 -0.00 -0.00 -0.02 -0.01 -0.01 -0.02 -0.02 -0.01 -0.02 -0.01 -0.01 -0.01 -0.03 -0.01 -0.01 -0.02 -0.01 -0.00 -0.08 -0.04 0.11 -0.06 0.12 -0.25 -0.12 0.28 -0.06 -0.23 -0.16 -0.10 -0.31 0.11 0.03 0.10 0.19 -0.02 0.08 0.11 -0.16 0.06 0.18 0.08 -0.01 -0.13 -0.04 0.05 0.09 0.18 -0.04 -0.10 -0.13 -0.24 -0.01 -0.07 0.13 -0.04 0.08 -0.00 -0.01 -0.02 -0.02 -0.01 -0.02 -0.01 -0.02 -0.00 -0.03 -0.02 -0.00 -0.03 0.01 -0.16 0.04 -0.02 0.05 -0.05 -0.04 -0.01 -0.06 -0.05 -0.01 0.02 -0.02 -0.07 -0.00 -0.06 0.03 -0.06 -0.06 0.02 -0.00 0.03 -0.00 -0.02 -0.02 -0.00 -0.01 0.01 0.00 0.01 -0.07 0.04 0.06 0.00 0.01 -0.03 0.08 0.04 -0.02 -0.04 0.01 -0.02 0.17 0.19 -0.02 0.03 -0.06 -0.02 0.24 0.35 -0.01 0.02 -0.07 0.00 0.12 0.12 0.03 -0.02 0.02 -0.06 -0.00 0.00 0.02 -0.04 -0.06 0.05 -0.04 -0.05 0.02 -0.04 -0.06 0.06 -0.03 -0.04 0.02 -0.03 -0.04 0.05 -0.03 -0.03 -0.03 0.06 -0.02 0.00 -0.06 0.11 0.03 -0.14 0.02 0.10 0.10 0.06 0.15 -0.07 -0.03 0.02 0.00 0.02 0.02 -0.12 0.04 -0.09 -0.06 -0.02 -0.01 -0.03 -0.20 -0.03 0.29 0.46 -0.01 -0.08 -0.27 0.08 -0.02 0.03 -0.09 0.02 -0.01 0.07 -0.06 -0.06 0.01 -0.04 -0.06 0.08 -0.02 -0.04 -0.00 -0.02 -0.03 0.14 0.07 -0.02 0.08 -0.10 -0.00 -0.20 -0.08 0.02 -0.17 -0.05 0.05 0.02 0.02 0.03 0.01 -0.10 -0.10 -0.00 -0.05 -0.04 0.01 0.05 0.05 -0.12 -0.01 0.04 -0.11 0.04 0.08 0.00 -0.03 -0.00 -0.01 0.03 0.08 -0.10 0.06 0.02 -0.06 0.06 0.08 -0.04 0.05 -0.10 -0.08 0.04 -0.03 -0.05 0.03 -0.21 -0.07 0.03 -0.12 -0.03 0.04 -0.14 0.02 -0.04 -0.05 -0.00 0.04 0.04 0.02 -0.01 0.07 0.06 0.00 0.07 0.07 -0.02 0.06 0.07 0.01 0.05 0.10 -0.01 0.04 0.10 -0.02 0.04 -0.16 0.14 0.10 0.05 0.01 0.04 0.05 -0.01 0.01 0.04 0.15 0.14 0.11 -0.07 0.03 0.11 0.32 0.02 0.08 -0.20 0.07 -0.34 0.10 0.13 -0.08 0.05 -0.01 -0.05 0.01 -0.25 -0.11 0.04 -0.12 0.04 -0.06 -0.07 -0.02 0.10 0.11 0.06 -0.01 0.07 0.09 -0.02 0.08 0.06 0.02 0.03 0.10 0.01 0.03 0.04 -0.02 0.01 0.00 -0.01 0.01 0.01 0.04 0.01 -0.03 0.00 -0.01 -0.02 -0.02 0.01 0.00 -0.03 -0.04 0.00 -0.02 -0.02 0.00 0.01 0.02 -0.02 0.01 -0.01 0.01 0.04 0.01 -0.00 -0.00 -0.01 0.03 0.04 0.00 -0.02 -0.00 -0.01 0.00 -0.02 0.02 -0.02 -0.00 -0.00 -0.02 -0.00 -0.00 -0.03 0.00 0.01 -0.02 0.01 0.01 -0.02 0.00 0.01 0.00 -0.01 -0.02 0.00 0.01 0.01 -0.02 -0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.02 0.01 -0.01 0.02 0.01 -0.01 0.02 0.01 -0.01 0.01 0.04 -0.01 0.01 0.01 0.01 0.02 -0.01 -0.00 0.04 0.08 0.02 0.07 0.01 -0.03 -0.31 -0.50 0.15 -0.25 0.45 0.02 0.54 -0.10 -0.10 -0.02 -0.00 -0.00 -0.02 0.01 0.01 -0.02 0.01 0.02 -0.00 -0.02 -0.03 0.00 0.02 0.03 -0.01 -0.01 0.00 -0.00 -0.02 0.00 0.02 0.02 -0.02 0.02 0.02 -0.02 -0.03 0.03 0.01 0.02 0.02 0.04 0.19 0.03 0.10 -0.02 -0.09 0.05 0.01 0.03 0.02 -0.05 -0.04 -0.18 0.02 -0.00 -0.11 -0.06 0.00 0.07 0.02 -0.06 0.01 0.10 -0.05 0.07 -0.04 0.01 -0.08 0.06 -0.07 0.06 0.01 -0.04 -0.08 -0.13 0.16 0.06 0.01 -0.00 -0.03 -0.01 -0.01 -0.02 0.01 0.03 0.03 -0.01 0.04 0.06 0.00 0.04 0.05 -0.10 -0.04 -0.09 0.02 0.02 0.05 0.01 -0.00 -0.03 -0.00 -0.01 -0.03 0.01 -0.02 -0.03 -0.01 -0.03 -0.04 0.00 -0.03 -0.04 -0.00 -0.03 -0.04 0.16 -0.13 0.02 -0.04 -0.02 -0.22 -0.03 0.16 -0.03 0.05 -0.06 0.11 0.09 -0.08 0.02 -0.18 0.27 -0.25 -0.16 0.17 0.16 -0.30 0.28 0.25 -0.01 -0.02 -0.03 0.01 0.04 0.05 -0.02 0.06 0.10 -0.17 -0.07 -0.13 0.07 0.06 0.15 -0.01 -0.00 -0.03 0.03 -0.02 -0.02 -0.02 -0.03 -0.04 0.00 -0.04 -0.04 0.09 -0.04 0.03 -0.02 0.02 0.10 0.10 0.12 -0.01 -0.04 0.06 -0.02 -0.07 -0.04 0.14 0.03 -0.02 0.02 0.01 -0.02 0.01 0.04 0.02 -0.01 -0.02 0.06 -0.04 0.03 0.02 -0.02 0.01 0.00 0.03 -0.04 0.04 -0.00 -0.04 -0.00 -0.08 0.03 -0.08 -0.00 -0.07 -0.03 -0.04 -0.04 0.01 -0.05 -0.09 -0.01 0.01 -0.04 0.03 0.04 -0.08 0.00 0.06 0.06 0.01 0.01 0.01 0.00 -0.01 -0.08 -0.10 0.02 -0.07 -0.05 -0.04 -0.02 -0.09 -0.02 0.03 0.03 -0.13 0.06 0.00 -0.11 0.06 0.04 -0.14 0.07 -0.02 -0.06 0.04 0.03 0.12 0.04 -0.08 0.01 -0.07 -0.00 0.02 -0.07 0.08 -0.01 0.27 0.26 -0.03 0.22 -0.48 0.06 -0.40 -0.09 -0.04 -0.04 0.00 -0.06 -0.08 0.00 0.02 -0.01 0.05 0.08 0.08 0.01 0.02 -0.01 0.01 -0.03 -0.11 -0.05 -0.02 -0.02 -0.12 0.01 0.03 0.07 -0.16 0.10 0.01 -0.14 -0.05 0.03 -0.01 0.04 0.11 0.16 -0.18 -0.10 -0.02 0.03 0.01 0.03 0.06 0.18 0.21 0.01 -0.01 0.03 -0.01 -0.01 0.03 0.01 0.00 -0.01 -0.02 -0.02 0.04 -0.09 0.01 0.02 0.00 -0.00 0.01 -0.02 0.01 0.01 0.02 -0.01 0.04 0.02 0.02 0.01 0.05 -0.02 -0.05 0.04 -0.04 -0.02 0.07 -0.04 -0.09 0.04 -0.04 -0.04 0.07 0.01 -0.00 0.02 -0.00 0.01 -0.01 -0.00 -0.00 0.08 0.08 -0.05 -0.04 0.07 -0.12 0.12 -0.04 -0.07 -0.11 -0.10 -0.17 0.00 -0.19 -0.14 -0.08 -0.18 -0.16 -0.14 0.08 0.07 0.01 0.00 0.01 -0.01 0.00 0.01 0.00 0.03 -0.03 -0.03 -0.01 0.05 -0.08 -0.18 0.13 -0.07 0.22 -0.09 0.29 -0.00 -0.02 0.04 -0.05 -0.04 0.06 -0.05 -0.10 0.01 -0.03 -0.04 0.04 -0.00 0.01 -0.03 0.00 -0.01 -0.07 0.16 -0.11 0.20 -0.05 -0.02 -0.20 -0.11 -0.22 0.03 -0.28 -0.14 0.01 0.04 -0.01 0.01 -0.03 0.04 -0.01 -0.17 -0.01 0.00 -0.14 -0.02 -0.05 -0.02 0.05 0.01 0.22 0.15 0.07 0.16 0.08 0.02 -0.07 -0.07 0.05 -0.08 0.01 0.03 -0.09 -0.02 0.02 0.03 -0.02 0.11 -0.11 -0.03 -0.01 0.02 0.03 -0.06 0.10 -0.05 -0.02 0.02 -0.01 -0.07 0.02 -0.00 -0.05 0.03 -0.05 -0.08 0.03 -0.05 -0.08 0.03 -0.04 -0.01 0.12 0.08 0.08 -0.03 -0.06 -0.09 -0.08 0.05 -0.06 -0.05 0.03 -0.04 -0.07 0.03 0.04 0.04 -0.04 0.06 0.03 -0.05 0.09 0.06 -0.06 0.01 -0.06 -0.01 -0.06 -0.04 -0.12 -0.04 0.08 -0.01 0.16 -0.01 0.02 0.20 -0.20 -0.04 -0.22 -0.04 -0.19 -0.19 0.36 -0.06 0.12 0.18 0.09 -0.10 -0.00 0.01 -0.02 0.05 -0.07 -0.09 0.03 -0.06 -0.05 0.16 0.13 0.12 -0.14 -0.15 -0.08 -0.07 0.04 -0.05 -0.10 0.06 0.05 0.08 -0.07 0.08 0.05 -0.06 -0.02 -0.11 0.05 0.14 -0.05 0.02 0.09 0.12 0.04 -0.19 -0.14 -0.09 -0.05 0.10 -0.05 0.01 0.14 0.04 0.09 0.12 0.01 0.03 -0.04 -0.03 -0.03 -0.01 -0.01 0.04 0.07 -0.01 0.01 0.00 0.03 -0.00 0.03 -0.08 -0.06 -0.04 -0.01 0.01 -0.10 0.02 -0.06 -0.05 0.01 -0.11 -0.04 -0.00 -0.06 0.03 -0.00 -0.12 0.02 0.01 -0.07 0.05 -0.00 -0.02 0.09 0.03 0.09 -0.01 -0.03 0.06 0.17 -0.09 0.09 0.13 -0.04 0.09 0.10 -0.08 -0.05 -0.06 0.06 -0.05 -0.08 0.02 -0.07 -0.18 0.10 0.06 0.04 -0.05 -0.06 -0.04 0.08 0.09 -0.03 0.02 0.01 0.07 -0.01 0.10 0.01 -0.23 0.10 -0.04 0.09 0.09 -0.28 0.12 -0.14 -0.18 -0.12 -0.14 -0.08 -0.00 -0.03 0.05 -0.02 -0.17 0.04 0.02 -0.07 0.12 0.07 0.14 -0.08 -0.07 0.18 0.15 -0.08 0.18 0.15 -0.08 -0.11 -0.08 0.05 -0.10 -0.08 0.05 -0.04 -0.05 0.03 0.13 -0.10 0.03 -0.01 -0.06 -0.05 0.27 0.22 0.09 -0.09 0.08 -0.06 0.04 -0.10 0.05 -0.04 -0.09 0.05 0.05 0.04 -0.02 0.03 0.00 -0.01 -0.00 -0.07 -0.03 -0.02 0.04 -0.04 0.00 -0.00 0.07 -0.01 -0.10 -0.08 0.00 0.08 -0.06 -0.02 -0.05 -0.04 -0.13 -0.05 -0.05 -0.06 0.10 -0.01 -0.17 0.11 0.04 -0.13 0.13 0.01 0.10 -0.04 0.02 -0.04 0.01 -0.01 -0.07 0.06 -0.05 0.00 0.02 0.01 -0.02 0.01 -0.05 0.01 0.01 0.05 -0.02 -0.00 -0.01 0.04 -0.04 0.04 0.00 -0.08 -0.01 0.10 0.10 -0.17 -0.18 0.11 -0.03 -0.03 -0.10 -0.02 -0.16 0.06 0.27 -0.05 0.06 -0.15 -0.05 0.21 -0.15 0.10 0.16 0.08 -0.19 -0.13 -0.03 0.01 0.17 -0.02 -0.25 0.16 0.08 0.19 -0.05 0.01 -0.11 0.05 -0.03 0.06 -0.03 -0.01 0.01 0.01 -0.03 -0.02 0.02 0.02 -0.07 0.05 0.01 -0.05 0.03 -0.02 0.04 -0.04 0.03 0.02 0.07 0.10 0.17 -0.03 -0.02 -0.02 0.06 -0.01 -0.04 0.02 -0.11 0.01 0.03 -0.09 -0.06 -0.03 0.05 0.06 -0.06 0.10 -0.02 0.07 -0.03 0.03 -0.05 0.07 -0.01 0.03 -0.12 0.04 -0.01 0.14 0.06 -0.11 -0.01 0.07 0.02 0.06 -0.05 -0.01 0.10 0.04 0.04 -0.05 -0.08 0.00 -0.09 -0.04 0.05 -0.10 -0.11 -0.02 -0.06 0.02 -0.00 0.04 -0.07 -0.01 0.04 -0.07 -0.02 0.05 -0.04 -0.05 0.04 0.00 0.03 -0.02 0.03 0.00 -0.04 0.07 0.04 -0.05 -0.01 0.06 -0.05 -0.10 -0.13 0.17 0.21 -0.08 0.09 -0.05 -0.09 -0.28 -0.14 0.15 -0.11 0.16 -0.10 0.19 0.14 -0.25 -0.01 0.04 -0.21 -0.19 -0.10 -0.04 0.17 0.09 0.08 -0.08 -0.15 -0.01 -0.16 -0.20 -0.03 -0.09 0.08 0.00 0.11 -0.11 -0.05 0.07 -0.04 -0.10 0.09 -0.03 0.05 -0.06 0.03 0.00 -0.04 0.01 -0.07 0.03 0.02 0.01 0.03 0.12 0.02 -0.03 -0.03 0.02 -0.03 -0.03 -0.01 -0.00 -0.00 -0.08 0.02 -0.07 -0.08 0.02 -0.02 0.03 0.00 0.03 0.05 -0.03 0.08 -0.07 -0.05 -0.02 0.07 -0.08 0.05 -0.03 0.01 -0.01 0.14 0.15 -0.00 0.02 -0.08 -0.05 0.05 0.12 0.00 0.15 0.19 -0.05 -0.01 -0.01 0.01 -0.05 -0.18 -0.03 -0.08 -0.16 0.02 -0.05 0.01 -0.08 -0.00 0.00 0.00 0.05 0.06 -0.01 0.08 0.03 0.05 0.02 0.05 -0.05 0.00 -0.04 0.02 -0.04 -0.02 -0.02 -0.06 -0.04 0.11 -0.11 -0.08 0.10 0.11 -0.31 -0.23 0.22 -0.06 0.05 0.00 0.10 0.09 -0.07 0.01 -0.03 0.05 -0.20 -0.03 0.07 -0.06 -0.02 0.08 0.02 -0.00 0.22 0.33 -0.05 0.02 0.02 0.04 -0.11 -0.28 0.07 -0.06 0.00 -0.13 0.03 -0.00 -0.04 0.15 0.04 0.11 0.02 0.09 -0.09 0.02 -0.08 0.07 -0.08 -0.04 0.01 -0.01 0.00 0.00 0.01 -0.00 0.00 -0.04 -0.04 0.05 0.08 0.02 -0.03 -0.04 0.02 -0.02 0.04 -0.06 0.03 0.04 -0.05 -0.03 -0.03 0.03 -0.00 0.04 -0.03 0.01 -0.07 -0.02 0.05 -0.09 0.11 0.03 -0.03 0.06 -0.03 0.05 -0.01 0.00 0.04 -0.05 -0.06 0.02 0.00 -0.00 0.05 0.00 -0.06 -0.01 0.01 0.01 -0.00 -0.02 -0.03 -0.04 -0.00 -0.06 0.01 -0.03 0.03 -0.00 0.02 0.01 0.01 0.00 0.03 0.03 -0.02 0.03 0.03 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.04 -0.04 0.02 0.01 -0.08 -0.02 -0.12 -0.13 0.59 0.37 -0.46 0.03 0.04 0.02 0.10 0.04 -0.08 0.14 -0.02 0.05 -0.12 -0.02 0.10 -0.11 0.04 0.10 0.06 0.01 0.08 0.01 -0.07 -0.02 0.03 0.05 -0.02 -0.02 -0.13 0.00 -0.04 0.08 -0.02 0.06 0.06 0.07 -0.03 0.06 0.06 -0.03 0.00 0.00 -0.01 0.01 0.00 -0.01 0.10 0.24 -0.12 0.03 0.00 -0.01 0.05 0.02 0.07 0.14 -0.01 0.00 -0.15 -0.13 0.12 0.01 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.01 -0.01 0.02 -0.06 0.06 0.02 0.02 -0.03 -0.02 0.04 -0.04 0.01 0.01 -0.07 -0.07 -0.02 0.04 0.02 -0.03 -0.03 -0.06 0.03 -0.01 -0.11 -0.04 0.06 -0.05 -0.14 0.07 -0.09 -0.19 0.07 -0.10 -0.20 0.08 0.02 -0.00 0.01 -0.00 0.00 -0.01 -0.02 -0.01 -0.02 0.08 0.09 -0.07 0.06 0.09 -0.08 -0.01 -0.01 0.03 -0.03 0.01 0.01 -0.12 -0.13 0.09 0.03 0.01 -0.05 0.04 0.03 -0.31 -0.17 0.26 0.02 -0.01 -0.08 -0.16 -0.08 0.09 -0.05 0.05 -0.04 0.04 0.04 -0.07 -0.02 0.02 -0.07 -0.09 -0.07 0.01 0.07 -0.12 -0.19 0.12 -0.00 -0.22 0.07 0.05 -0.00 0.01 -0.02 0.01 -0.02 0.19 0.17 -0.13 0.13 0.19 -0.14 0.04 0.04 0.01 0.00 0.08 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.01 0.02 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.03 0.12 0.16 -0.06 -0.12 -0.14 0.11 -0.14 -0.14 0.06 0.14 0.13 -0.09 -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 -0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.02 -0.03 0.00 -0.01 -0.02 -0.01 0.01 0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 0.25 0.35 -0.14 -0.23 -0.31 0.22 -0.30 -0.30 0.14 0.31 0.28 -0.19 -0.01 -0.04 0.02 -0.00 -0.02 -0.04 0.02 -0.00 0.01 -0.01 -0.02 -0.01 0.01 0.14 0.31 -0.01 -0.01 -0.01 -0.02 -0.02 -0.01 -0.02 0.00 0.01 0.02 0.02 0.02 0.01 -0.01 -0.02 0.01 0.02 -0.00 0.01 -0.01 -0.01 0.02 0.07 0.08 0.01 -0.00 -0.03 -0.00 0.02 0.03 0.02 0.05 0.02 -0.01 0.00 -0.06 0.02 0.01 -0.09 -0.00 0.03 -0.00 -0.01 -0.02 -0.01 -0.02 -0.00 0.01 -0.01 -0.10 -0.19 0.09 -0.08 -0.19 -0.10 -0.09 -0.17 0.04 -0.05 0.13 -0.03 0.13 0.04 0.00 0.06 0.14 0.01 -0.02 -0.03 0.02 0.02 -0.05 -0.02 0.06 0.00 0.02 0.01 0.00 0.03 -0.03 -0.01 0.01 0.00 -0.03 0.01 -0.00 -0.04 0.01 0.00 -0.02 0.01 0.03 0.01 0.01 0.01 -0.08 0.02 -0.01 -0.14 -0.02 -0.02 -0.01 -0.03 0.01 0.02 0.27 -0.19 -0.27 -0.30 -0.08 -0.29 0.14 -0.14 0.27 -0.11 0.31 0.07 0.02 0.06 -0.03 0.14 -0.12 0.05 0.01 0.03 -0.06 -0.13 0.03 -0.01 -0.07 0.12 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 0.06 -0.05 -0.00 -0.05 -0.01 0.01 -0.00 0.01 -0.00 -0.01 0.07 0.03 0.00 0.01 -0.00 0.02 -0.03 0.05 -0.01 0.01 0.07 -0.02 0.04 0.10 -0.13 0.07 0.08 -0.15 0.05 0.05 -0.13 0.05 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.08 0.15 -0.09 -0.17 0.02 0.01 -0.19 -0.01 -0.03 -0.10 0.07 0.02 -0.11 0.06 -0.05 0.10 0.13 -0.06 0.00 -0.06 -0.01 -0.01 0.01 0.18 0.08 -0.15 -0.03 0.03 0.10 0.19 0.10 -0.12 0.07 -0.01 0.05 -0.09 -0.01 0.06 -0.07 0.01 0.07 0.06 0.12 0.04 0.04 0.04 -0.18 0.10 0.18 -0.18 0.05 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.25 -0.14 0.07 -0.31 -0.16 0.06 -0.25 -0.02 0.03 -0.25 0.02 0.02 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.03 0.02 0.03 -0.02 -0.01 0.01 -0.01 -0.02 -0.03 -0.00 -0.01 -0.01 -0.02 -0.02 -0.01 -0.02 0.00 0.01 0.02 0.02 0.04 -0.03 -0.04 -0.05 0.01 0.04 0.02 0.03 -0.02 0.01 0.00 0.08 0.13 0.03 -0.00 -0.09 -0.01 0.11 0.21 0.01 -0.08 -0.19 -0.01 -0.08 -0.15 0.01 0.06 0.11 -0.01 0.03 0.08 -0.01 -0.02 -0.01 -0.02 0.00 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 0.01 0.02 0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.06 -0.09 0.03 0.04 -0.04 -0.02 0.10 0.04 0.07 0.08 0.04 0.10 -0.11 0.05 0.07 0.02 -0.05 0.05 -0.00 -0.21 0.08 0.02 -0.05 0.01 -0.24 -0.52 -0.00 -0.26 -0.50 0.03 0.05 0.10 -0.02 -0.03 -0.02 -0.03 0.01 0.02 -0.02 0.01 0.02 0.04 0.03 0.00 -0.00 0.03 -0.03 -0.00 -0.01 -0.01 0.01 -0.03 0.01 0.04 -0.02 0.01 -0.04 -0.11 -0.07 0.07 0.00 -0.05 -0.04 -0.02 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.01 0.00 0.03 0.00 -0.05 0.14 0.08 0.09 0.02 -0.03 -0.04 -0.03 0.02 -0.08 0.02 0.08 0.02 -0.05 -0.01 0.18 -0.03 0.05 0.07 0.05 0.06 -0.07 -0.03 -0.04 -0.03 0.05 0.04 0.01 -0.01 -0.02 0.02 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.04 0.01 0.00 -0.02 0.03 -0.01 -0.02 0.03 -0.01 -0.02 0.03 -0.01 -0.03 0.02 -0.02 -0.02 -0.01 0.01 0.10 0.13 0.16 -0.00 -0.04 0.01 0.02 -0.10 -0.06 -0.18 -0.27 -0.14 -0.23 0.30 -0.21 -0.17 -0.07 0.03 -0.13 -0.01 0.51 -0.22 -0.07 0.07 0.07 0.03 -0.16 -0.03 -0.10 -0.13 0.13 0.02 0.01 -0.02 -0.01 -0.00 -0.01 -0.00 0.01 -0.01 0.05 -0.01 -0.00 0.05 -0.02 -0.02 0.05 -0.03 -0.02 0.04 -0.02 -0.00 0.05 -0.03 -0.07 0.04 -0.02 0.05 -0.01 -0.10 -0.03 0.10 -0.04 0.04 0.07 0.01 0.00 0.00 0.01 0.01 0.01 0.02 0.02 -0.00 -0.01 -0.06 0.02 -0.09 0.15 -0.00 0.01 -0.01 -0.04 -0.03 -0.02 0.03 0.02 -0.06 -0.08 0.10 -0.02 0.01 0.04 0.01 0.04 0.14 -0.12 -0.14 0.08 0.01 -0.01 -0.06 -0.14 -0.09 0.05 0.00 0.00 -0.04 0.02 0.02 0.01 0.02 -0.00 -0.01 0.12 0.06 -0.05 0.05 -0.06 0.02 0.05 -0.06 0.02 0.04 -0.07 0.03 0.04 -0.07 0.04 0.11 0.07 -0.04 0.14 -0.00 0.03 -0.04 -0.02 0.18 0.06 -0.22 -0.08 -0.12 -0.12 0.11 -0.10 0.15 -0.04 -0.13 -0.01 -0.17 -0.09 0.06 0.24 -0.13 0.03 0.06 -0.14 -0.19 0.04 0.01 -0.06 -0.15 -0.28 -0.05 0.04 0.03 0.03 0.03 0.01 -0.01 -0.02 -0.05 -0.21 0.08 -0.06 -0.19 0.09 -0.07 -0.22 0.13 -0.08 -0.22 0.12 0.02 -0.03 0.02 -0.02 0.01 -0.00 -0.01 -0.03 0.08 0.10 -0.04 0.02 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.03 0.06 -0.04 0.01 -0.01 -0.00 0.01 0.02 0.03 -0.02 -0.05 -0.07 0.08 -0.05 0.01 -0.01 -0.02 -0.14 0.03 -0.06 -0.01 0.10 -0.06 -0.12 -0.02 0.03 0.03 -0.00 0.00 -0.01 -0.05 0.05 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.15 0.15 -0.08 0.02 -0.01 0.01 0.02 -0.01 0.01 -0.03 -0.07 0.03 -0.03 -0.07 0.03 0.13 0.13 -0.07 -0.03 0.01 -0.02 0.01 -0.00 -0.12 -0.05 0.14 0.06 0.04 -0.03 -0.14 -0.01 -0.00 -0.02 0.05 -0.01 0.07 0.04 -0.04 -0.07 0.04 -0.04 -0.05 0.05 0.16 -0.09 -0.18 -0.06 0.07 0.13 -0.03 0.01 -0.01 -0.01 -0.01 0.01 0.00 0.01 -0.17 -0.24 0.13 -0.17 -0.24 0.14 -0.25 -0.32 0.17 -0.25 -0.32 0.17 -0.00 0.01 0.01 -0.01 0.01 -0.00 0.02 -0.12 -0.01 -0.08 -0.01 0.03 -0.01 -0.01 -0.06 0.01 0.01 0.01 -0.02 -0.03 -0.03 -0.02 0.01 0.02 0.02 0.05 0.07 0.15 0.02 -0.06 0.04 0.10 0.09 -0.01 0.07 -0.02 0.01 0.06 0.12 0.00 -0.02 -0.12 0.02 -0.12 -0.22 -0.02 0.00 0.03 0.02 -0.01 -0.00 -0.02 -0.05 -0.05 -0.01 0.12 0.25 -0.01 -0.04 -0.02 -0.03 0.00 0.02 -0.00 0.00 0.01 0.02 -0.01 0.02 -0.00 0.00 0.01 0.02 -0.02 -0.00 0.00 -0.01 -0.01 0.01 -0.01 -0.00 0.12 0.10 -0.11 0.05 0.11 0.11 0.07 0.10 0.10 -0.15 -0.15 0.08 -0.12 0.25 -0.14 -0.08 -0.05 -0.24 -0.05 0.02 0.05 -0.07 -0.03 -0.14 -0.03 -0.10 -0.15 0.03 -0.08 -0.15 -0.02 -0.26 -0.48 -0.03 -0.07 -0.07 -0.03 0.02 0.04 0.02 -0.01 0.02 0.02 0.00 0.02 0.01 -0.01 -0.01 0.01 -0.00 -0.02 0.00 0.01 0.01 -0.01 0.01 -0.00 -0.01 0.13 -0.03 0.07 0.03 -0.12 -0.02 -0.02 -0.03 0.00 -0.01 -0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.01 0.02 0.03 -0.09 -0.12 -0.07 0.08 0.03 -0.05 -0.09 0.03 -0.11 -0.01 0.02 0.04 0.10 -0.01 0.02 0.17 0.01 -0.06 -0.08 -0.01 0.02 0.05 0.01 -0.02 -0.03 -0.02 -0.02 -0.06 -0.03 0.09 0.18 -0.01 0.01 0.02 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.02 -0.00 0.02 0.00 0.01 0.00 0.02 -0.02 0.00 -0.00 -0.01 -0.01 0.02 -0.00 -0.01 -0.09 -0.16 0.18 0.01 -0.06 -0.07 -0.00 -0.10 -0.11 0.19 0.17 -0.05 0.20 -0.36 0.11 0.05 0.06 0.23 0.03 -0.00 0.05 0.03 0.04 0.22 -0.02 -0.08 -0.12 0.03 -0.10 -0.23 -0.02 -0.21 -0.43 -0.01 0.03 0.05 -0.01 -0.01 -0.01 0.01 -0.02 0.03 0.01 -0.01 0.02 -0.01 -0.04 0.01 -0.01 -0.03 -0.00 0.01 -0.01 0.01 0.03 -0.02 0.01 0.04 0.00 0.07 0.08 0.03 0.01 0.19 0.14 -0.08 -0.02 -0.03 -0.03 0.04 0.04 0.04 0.04 -0.01 -0.03 -0.11 -0.08 0.00 0.03 -0.00 -0.01 -0.09 -0.09 -0.04 0.02 0.00 -0.02 -0.21 -0.00 0.04 0.01 -0.01 -0.03 -0.20 0.06 -0.03 0.04 -0.06 0.08 -0.16 0.04 -0.06 0.08 -0.14 0.02 0.17 0.05 0.07 0.02 0.05 0.03 0.05 -0.00 -0.02 -0.00 -0.05 0.02 -0.09 -0.04 -0.02 -0.07 -0.03 0.03 -0.00 0.07 -0.05 0.02 0.08 -0.00 -0.10 -0.03 0.03 0.04 -0.01 -0.04 -0.08 -0.09 -0.07 -0.09 -0.04 -0.02 -0.01 -0.07 -0.05 -0.05 0.06 0.00 0.00 -0.01 -0.03 0.01 -0.01 -0.03 0.01 -0.02 -0.04 0.18 0.03 -0.06 -0.33 -0.18 -0.11 -0.04 -0.20 -0.17 0.05 0.11 0.10 0.04 -0.01 -0.04 -0.00 0.13 -0.08 0.01 0.12 -0.08 0.18 0.26 -0.14 0.20 0.27 -0.11 0.00 0.00 0.00 -0.00 0.02 0.02 -0.01 -0.01 -0.00 0.00 0.01 -0.05 -0.01 -0.03 -0.11 0.00 0.03 0.04 -0.00 -0.03 -0.03 -0.00 0.02 0.02 0.01 0.03 0.00 -0.00 -0.02 0.01 0.00 0.05 0.04 0.01 -0.03 -0.03 0.00 0.01 0.00 0.00 -0.00 0.03 0.00 -0.01 -0.02 -0.01 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.01 -0.00 -0.03 -0.03 -0.00 0.00 0.01 -0.01 -0.04 -0.09 -0.24 0.08 -0.21 0.22 -0.26 -0.09 -0.21 0.26 0.12 0.25 -0.08 0.24 0.01 0.03 0.10 -0.00 -0.03 0.04 0.01 0.06 0.04 -0.00 0.05 0.04 0.04 0.02 -0.01 0.05 -0.08 -0.02 -0.00 0.00 0.02 -0.00 -0.00 0.03 -0.00 0.00 0.04 -0.01 -0.01 -0.03 0.00 -0.01 0.02 -0.00 -0.02 -0.01 -0.00 -0.09 -0.11 -0.01 0.01 0.01 -0.16 0.01 -0.24 0.18 -0.23 -0.15 -0.13 0.26 0.16 0.21 0.00 0.26 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 0.03 -0.01 -0.02 -0.03 0.16 -0.04 -0.07 0.01 0.01 -0.11 -0.15 -0.01 0.11 0.13 -0.01 -0.08 -0.09 0.02 -0.08 -0.02 -0.01 0.08 -0.03 0.05 -0.17 -0.17 -0.05 0.10 0.11 0.04 0.02 0.01 -0.00 0.00 -0.09 0.04 -0.00 0.00 0.01 0.05 0.01 0.03 -0.02 -0.02 0.01 0.04 -0.05 -0.03 0.03 0.06 -0.02 0.11 0.14 -0.01 -0.02 -0.02 0.00 -0.01 -0.01 -0.02 0.04 -0.05 0.05 -0.01 -0.02 -0.06 0.03 0.02 0.02 -0.02 0.05 0.02 0.04 -0.00 0.00 0.11 -0.12 0.02 -0.19 -0.15 0.07 -0.18 -0.17 -0.12 -0.04 0.04 -0.16 0.23 0.08 0.01 -0.00 -0.06 0.00 0.00 -0.10 0.01 -0.01 -0.12 -0.02 -0.01 -0.04 0.07 -0.03 -0.13 0.05 -0.04 -0.18 -0.04 0.36 0.45 -0.00 -0.02 -0.01 -0.06 -0.00 -0.03 0.00 -0.04 -0.02 -0.10 -0.04 0.07 -0.04 -0.08 0.09 0.00 -0.04 0.02 -0.07 0.05 -0.02 -0.00 -0.00 0.00 0.02 -0.02 0.03 -0.06 0.23 -0.09 0.01 -0.02 -0.04 -0.02 0.02 0.02 -0.02 -0.02 -0.02 0.03 0.00 0.01 -0.02 0.01 0.00 0.04 -0.01 -0.02 -0.00 0.01 0.00 -0.00 0.11 -0.07 -0.00 0.00 0.00 0.03 0.08 -0.03 -0.13 0.16 -0.09 0.12 -0.13 0.07 -0.06 -0.11 0.06 -0.01 -0.10 0.01 -0.01 0.02 0.03 -0.02 -0.00 0.00 -0.08 0.08 -0.03 0.02 -0.08 0.15 -0.02 -0.15 -0.03 0.14 0.03 0.06 0.11 -0.03 -0.09 0.04 -0.18 0.08 -0.02 0.01 -0.01 0.05 -0.01 -0.04 0.04 0.01 -0.02 0.01 0.01 -0.04 -0.01 0.01 0.01 0.01 0.00 0.03 0.01 -0.01 -0.02 0.01 -0.00 -0.01 -0.07 0.24 -0.09 0.05 -0.17 0.14 0.15 -0.12 0.17 -0.03 0.07 0.10 -0.01 -0.00 0.01 0.20 -0.13 0.06 0.18 -0.12 0.05 0.27 0.25 -0.10 0.24 0.22 -0.19 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.04 -0.02 0.01 -0.04 0.11 -0.02 -0.01 -0.00 -0.04 0.11 0.16 0.04 -0.02 -0.04 0.04 0.11 0.12 0.00 -0.08 -0.05 -0.03 0.05 -0.01 -0.09 -0.15 -0.10 -0.03 0.06 0.08 0.01 0.01 -0.04 -0.01 0.01 -0.04 0.02 0.04 0.04 -0.01 0.07 0.03 0.03 -0.03 -0.03 0.00 -0.01 -0.04 -0.01 0.02 0.07 0.03 -0.08 -0.14 0.05 -0.04 -0.07 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 0.00 0.00 0.01 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.02 0.07 -0.05 -0.17 -0.21 -0.11 -0.18 -0.21 -0.13 -0.05 -0.01 -0.00 -0.09 0.12 0.07 0.01 0.01 0.00 0.00 -0.00 -0.06 0.01 -0.00 -0.05 -0.01 0.06 0.00 0.04 -0.11 -0.19 0.05 -0.10 -0.19 0.07 -0.36 -0.49 0.05 -0.16 -0.23 0.01 -0.01 0.01 0.01 -0.01 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 -0.01 0.01 -0.00 0.01 -0.03 0.01 0.01 0.00 0.03 -0.08 -0.11 -0.03 0.16 0.20 -0.03 0.14 0.18 0.00 0.03 0.02 0.01 -0.02 0.00 0.07 0.04 0.02 0.01 -0.01 -0.02 -0.00 0.01 0.03 0.00 -0.00 0.01 -0.01 -0.02 -0.03 0.01 -0.03 -0.02 -0.02 0.01 0.01 -0.00 0.01 0.02 0.00 -0.01 -0.04 -0.02 -0.06 -0.05 -0.03 -0.17 -0.19 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.02 0.01 0.12 0.07 0.02 0.11 0.07 0.03 0.01 0.00 0.00 0.02 -0.03 -0.02 -0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.00 0.00 0.01 0.01 -0.03 -0.02 -0.02 0.06 0.10 -0.02 0.04 0.09 -0.06 -0.13 -0.15 -0.01 -0.52 -0.62 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 0.07 -0.04 -0.06 0.04 -0.02 -0.00 0.00 -0.00 -0.02 -0.04 0.04 -0.15 0.07 -0.04 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.02 0.01 -0.01 -0.00 0.02 -0.01 0.01 -0.02 -0.02 -0.01 0.02 0.03 0.05 -0.11 0.06 -0.00 0.00 -0.02 -0.14 -0.18 0.08 0.34 -0.18 0.09 -0.24 0.05 -0.03 0.20 0.14 -0.06 -0.08 0.02 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.12 0.13 -0.06 0.03 0.02 0.15 0.02 -0.11 -0.11 0.07 0.05 0.13 0.05 -0.08 -0.12 0.13 -0.14 0.06 -0.00 0.03 -0.02 -0.01 -0.03 -0.02 0.01 -0.04 -0.03 -0.02 -0.01 0.00 -0.03 0.04 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.00 -0.00 -0.03 0.29 -0.24 0.12 -0.19 0.11 -0.04 0.13 0.15 -0.07 -0.00 -0.02 -0.02 -0.00 0.01 0.02 0.15 -0.17 0.11 0.15 -0.20 0.05 -0.02 0.12 0.02 -0.02 0.05 -0.10 0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 0.06 -0.06 0.01 -0.05 0.07 0.05 0.02 0.00 0.06 0.11 0.09 -0.06 -0.04 -0.06 -0.07 -0.02 0.01 0.09 0.02 -0.03 -0.03 0.03 -0.00 0.23 -0.07 -0.17 -0.02 0.03 0.06 -0.02 0.10 0.21 -0.00 0.01 -0.00 -0.06 -0.09 -0.15 -0.03 -0.08 -0.07 -0.07 0.05 0.05 -0.03 0.01 0.11 0.02 -0.06 -0.13 -0.03 -0.05 0.00 -0.08 0.00 0.04 0.07 0.02 -0.01 -0.03 -0.03 -0.02 -0.03 0.00 0.05 0.01 0.01 -0.05 0.02 0.05 0.02 -0.07 -0.01 0.01 -0.01 0.02 -0.02 0.15 -0.12 -0.14 0.17 -0.11 -0.19 -0.01 0.01 -0.02 -0.04 0.04 0.07 0.00 0.01 0.01 -0.00 0.01 -0.02 0.00 0.01 -0.00 -0.03 -0.18 -0.26 -0.11 0.20 0.44 -0.09 0.09 0.24 -0.11 -0.16 -0.14 -0.06 0.03 0.10 -0.10 -0.03 0.01 -0.10 -0.03 0.04 0.07 0.03 -0.04 0.07 0.04 -0.01 0.00 0.01 -0.01 0.02 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.02 -0.07 0.03 0.00 -0.01 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 0.01 0.00 -0.01 0.00 0.00 0.00 0.03 0.03 -0.00 -0.00 -0.00 0.03 -0.05 -0.07 -0.00 0.00 0.00 0.01 -0.01 0.07 -0.00 0.01 0.03 -0.01 -0.01 -0.02 -0.01 0.04 -0.06 -0.04 0.02 0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.19 0.15 -0.09 -0.06 -0.08 -0.01 -0.05 -0.04 0.08 0.08 0.08 -0.10 0.09 0.12 -0.01 -0.18 -0.12 0.07 -0.01 0.00 0.00 0.01 0.04 0.03 0.02 0.03 0.03 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.05 0.01 0.13 0.04 -0.03 -0.17 -0.02 0.02 -0.09 -0.00 0.01 0.02 -0.00 -0.01 -0.01 -0.41 -0.38 0.20 -0.40 -0.36 0.23 0.10 0.04 -0.05 0.11 0.07 -0.02 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 -0.07 0.01 -0.08 0.07 0.05 0.05 -0.03 0.09 0.06 0.02 -0.07 -0.01 -0.02 -0.08 -0.02 0.02 0.08 0.04 -0.01 -0.04 0.03 0.00 0.26 0.10 -0.02 -0.01 0.00 0.01 -0.00 -0.12 -0.23 -0.01 0.01 0.01 -0.07 0.06 0.15 -0.02 -0.01 0.07 -0.07 -0.02 -0.05 -0.02 -0.10 -0.07 0.02 0.05 0.11 -0.03 -0.05 0.03 -0.10 -0.01 0.02 -0.02 -0.05 0.02 0.00 -0.00 -0.02 0.00 0.01 0.01 -0.02 -0.03 -0.00 -0.02 -0.01 0.03 0.02 0.05 -0.03 -0.03 0.03 -0.00 0.28 0.12 0.03 0.29 0.11 -0.01 0.02 0.01 -0.09 -0.02 0.01 0.02 0.01 0.01 0.05 0.00 0.00 -0.01 0.00 0.00 0.00 -0.02 0.16 0.41 -0.12 -0.22 -0.35 -0.07 -0.05 0.01 -0.14 -0.09 -0.03 -0.07 -0.02 0.05 0.10 0.13 -0.08 0.10 0.15 -0.08 0.03 -0.00 -0.01 0.03 0.01 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.09 -0.20 0.29 -0.11 0.26 -0.20 -0.01 -0.05 0.01 0.05 0.07 0.06 -0.03 0.01 -0.03 -0.04 -0.02 0.01 -0.00 -0.07 0.03 -0.04 -0.01 -0.00 0.17 -0.13 -0.15 -0.05 0.10 -0.01 -0.03 -0.02 -0.04 -0.02 0.01 0.01 0.03 0.04 0.00 0.01 -0.01 -0.01 0.04 0.02 -0.01 0.01 -0.02 -0.04 0.02 0.03 0.03 -0.01 -0.01 0.02 -0.04 -0.01 0.01 -0.01 0.00 -0.00 0.01 0.03 0.02 0.00 -0.00 -0.03 0.00 0.04 0.02 -0.00 0.00 -0.04 0.01 -0.03 0.02 0.01 -0.03 -0.12 0.14 -0.18 -0.26 0.10 -0.02 -0.12 -0.08 0.17 0.29 0.03 0.02 -0.01 0.10 0.03 0.24 0.06 -0.07 -0.19 0.11 -0.03 -0.05 0.03 0.13 0.21 0.05 -0.02 -0.11 -0.01 0.10 0.19 -0.08 -0.12 -0.11 -0.01 -0.01 0.04 -0.06 -0.08 0.06 -0.05 -0.09 0.03 -0.09 -0.02 0.04 -0.09 -0.03 0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 0.01 -0.03 0.02 -0.02 0.02 -0.02 -0.02 0.06 -0.03 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.02 0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.01 -0.00 -0.01 0.01 -0.00 0.04 0.00 0.01 -0.00 0.00 0.00 -0.02 -0.07 0.03 0.01 0.02 -0.01 -0.02 -0.05 0.02 0.00 0.04 -0.03 -0.05 -0.02 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 0.02 0.01 -0.01 0.03 -0.00 -0.06 -0.04 -0.04 0.08 0.05 -0.02 -0.07 -0.03 -0.05 0.11 -0.02 0.05 -0.02 -0.00 0.00 -0.02 -0.03 -0.03 -0.01 -0.03 -0.03 -0.01 -0.01 0.03 0.02 0.00 0.00 -0.00 0.02 0.01 0.04 0.01 -0.01 -0.03 0.02 -0.00 -0.00 -0.03 -0.01 0.04 -0.00 -0.02 0.02 0.05 0.05 0.03 0.01 0.01 0.01 0.00 0.00 -0.00 -0.19 -0.20 0.07 0.36 0.44 -0.20 -0.10 -0.27 0.10 0.45 0.37 -0.18 0.01 0.02 -0.01 0.01 -0.01 0.00 0.01 -0.03 0.03 -0.02 0.02 -0.02 -0.03 0.08 -0.03 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 0.03 0.00 -0.00 -0.02 0.00 -0.00 -0.02 -0.02 -0.01 -0.01 0.02 -0.00 0.05 -0.00 0.00 -0.01 0.00 0.01 -0.02 -0.08 0.04 0.01 0.02 -0.01 -0.03 -0.06 0.03 0.00 0.05 -0.02 -0.06 -0.02 0.01 0.00 0.00 -0.00 0.01 0.00 -0.00 0.03 0.01 -0.01 -0.05 -0.10 -0.02 0.03 0.04 0.05 -0.03 -0.12 -0.03 0.05 0.04 0.07 -0.02 0.06 -0.03 -0.01 0.00 -0.03 -0.04 -0.03 -0.01 -0.03 -0.03 -0.01 -0.01 0.03 0.02 0.00 0.01 -0.00 0.02 0.01 0.06 0.01 -0.01 -0.04 0.02 -0.00 0.00 -0.04 -0.03 0.01 -0.00 -0.03 0.02 0.06 0.03 -0.02 0.01 0.01 0.01 0.01 0.00 -0.00 0.37 0.42 -0.29 -0.14 -0.11 0.12 0.46 0.33 -0.24 -0.05 -0.21 0.15 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 0.04 -0.02 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.01 0.02 0.03 -0.01 0.00 -0.02 -0.03 -0.00 0.01 -0.02 0.01 -0.00 0.04 0.07 0.01 -0.00 -0.01 -0.00 -0.01 -0.02 0.00 -0.04 -0.08 -0.00 0.01 0.02 0.00 -0.05 -0.11 -0.00 0.03 0.07 -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 0.04 -0.03 -0.04 -0.05 -0.05 0.01 0.01 -0.00 -0.03 0.03 0.00 -0.02 0.01 -0.03 -0.02 -0.09 -0.02 0.01 0.06 -0.03 0.00 -0.01 -0.01 0.24 0.48 0.00 -0.08 -0.16 0.00 0.35 0.70 0.01 0.01 -0.00 0.01 0.00 -0.00 0.01 0.01 -0.01 -0.02 -0.02 0.01 0.01 0.01 -0.01 -0.02 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.12 -0.11 0.01 0.00 -0.06 0.07 0.01 0.02 -0.01 -0.02 -0.01 -0.01 0.01 -0.03 0.03 0.02 0.01 -0.00 0.01 0.08 -0.07 -0.10 0.01 -0.01 -0.08 0.10 -0.07 0.01 0.08 -0.08 0.01 0.03 0.04 -0.05 0.01 0.07 -0.00 -0.01 -0.01 -0.00 -0.03 -0.01 -0.00 0.01 0.00 -0.01 -0.04 -0.01 0.01 0.01 0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.03 -0.04 0.02 0.02 0.02 -0.01 0.02 0.02 -0.01 0.02 0.01 -0.01 0.02 0.02 -0.01 -0.02 -0.02 0.01 -0.03 -0.04 -0.17 -0.14 0.15 0.41 0.10 -0.34 -0.20 0.07 0.13 -0.29 -0.01 0.09 -0.07 0.12 0.08 0.32 0.05 -0.04 -0.22 0.14 0.03 0.12 -0.00 0.02 0.08 -0.01 -0.01 -0.03 -0.04 0.07 0.18 0.06 0.04 0.06 -0.04 0.02 -0.01 -0.07 -0.08 0.04 -0.07 -0.08 0.04 -0.10 -0.12 0.06 -0.10 -0.12 0.07 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.03 0.02 0.01 -0.00 0.01 -0.02 -0.05 0.11 -0.05 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.02 0.00 0.00 0.01 -0.03 0.01 -0.00 -0.02 0.02 0.00 -0.00 -0.01 0.01 -0.00 -0.02 -0.01 -0.00 0.02 0.03 0.01 0.01 -0.01 -0.04 -0.03 0.02 -0.01 0.01 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.12 -0.11 0.06 0.05 0.02 -0.07 0.06 0.06 0.02 0.07 -0.01 -0.08 0.09 0.06 0.04 -0.07 -0.03 0.02 0.00 0.02 0.04 0.03 -0.04 -0.09 -0.03 0.07 0.04 -0.02 -0.04 0.07 0.00 -0.02 0.01 -0.03 -0.02 -0.07 -0.01 0.00 0.05 -0.03 -0.01 -0.04 0.05 0.01 -0.04 -0.02 0.08 0.24 0.06 -0.04 -0.01 -0.01 -0.01 -0.02 0.01 -0.01 0.00 -0.19 -0.24 0.08 -0.19 -0.20 0.16 -0.23 -0.44 0.19 -0.24 -0.41 0.26 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.03 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -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 -0.01 0.00 0.01 0.00 -0.08 -0.16 -0.00 -0.01 -0.03 0.00 0.05 0.09 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 0.02 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.02 0.01 -0.02 -0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 -0.01 0.00 0.02 -0.00 0.44 0.85 -0.01 0.06 0.11 0.00 0.00 0.00 -0.00 0.00 -0.00 0.03 0.04 -0.01 0.02 0.02 -0.02 0.04 0.08 -0.03 0.04 0.07 -0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.02 -0.01 0.01 -0.01 0.01 0.00 -0.00 -0.00 0.03 0.04 0.00 0.02 -0.00 -0.01 0.03 0.04 0.02 -0.02 0.01 -0.01 0.00 -0.00 0.01 -0.02 0.02 -0.01 0.02 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.11 -0.14 0.00 -0.02 -0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.02 0.01 -0.04 -0.08 -0.05 0.04 0.03 -0.00 0.03 0.02 -0.00 0.01 0.01 0.01 0.01 0.01 -0.00 0.01 -0.01 0.01 0.01 0.03 -0.01 -0.00 0.00 -0.02 -0.00 0.01 -0.00 -0.00 0.00 0.01 0.59 0.74 0.01 0.12 0.16 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.08 0.03 0.17 0.04 -0.03 0.01 -0.05 -0.00 0.00 0.01 0.04 0.02 -0.01 -0.03 0.03 0.00 0.01 0.02 -0.09 0.09 -0.09 0.07 0.04 0.02 -0.00 0.09 -0.14 0.04 -0.15 0.02 -0.03 -0.01 -0.01 0.01 0.03 -0.10 0.03 0.03 -0.01 0.03 -0.02 0.01 0.04 0.01 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 0.02 -0.04 -0.01 -0.02 -0.04 -0.04 0.00 0.02 -0.01 -0.00 -0.01 -0.01 0.00 0.00 0.02 0.00 -0.03 -0.01 0.01 -0.01 0.03 -0.00 0.01 -0.01 -0.02 0.12 0.15 -0.05 0.14 0.35 0.19 -0.31 -0.25 -0.03 -0.27 0.08 -0.02 -0.07 -0.03 -0.06 -0.11 -0.01 0.02 -0.09 0.15 -0.08 -0.15 -0.41 0.05 0.01 -0.01 0.06 0.02 -0.03 0.00 -0.01 -0.02 0.03 0.08 0.14 -0.06 0.21 0.23 0.02 0.00 -0.02 0.02 0.02 0.01 0.07 0.02 -0.03 0.07 0.03 -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 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.02 0.00 0.02 0.03 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 0.02 -0.00 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 0.03 0.00 -0.11 -0.14 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.02 0.00 -0.02 -0.04 -0.02 0.05 0.04 0.01 0.04 -0.02 0.00 0.01 0.00 0.01 0.02 -0.01 -0.00 0.02 -0.02 0.01 0.03 0.07 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.15 -0.20 -0.01 0.58 0.74 -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 0.04 -0.02 0.00 0.00 -0.00 -0.01 -0.02 0.03 -0.02 0.02 -0.02 0.25 0.02 -0.01 -0.02 -0.02 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.00 0.09 0.04 -0.02 -0.00 0.08 0.00 -0.04 0.00 -0.01 -0.01 -0.11 0.04 0.10 -0.00 -0.00 -0.01 0.06 -0.04 -0.07 -0.23 0.11 -0.13 0.09 -0.05 -0.07 -0.13 0.06 -0.06 0.09 -0.04 0.00 -0.02 0.01 0.00 0.01 0.00 0.01 -0.00 -0.00 0.02 -0.07 0.03 -0.01 0.04 0.05 -0.02 -0.01 -0.06 -0.03 0.11 0.06 -0.04 0.03 -0.12 0.01 -0.04 0.02 -0.02 0.07 0.10 -0.09 -0.03 0.03 -0.03 -0.09 -0.04 -0.03 -0.10 0.18 0.01 -0.14 0.06 -0.01 -0.08 0.18 0.04 -0.11 0.14 -0.05 -0.15 -0.40 -0.30 -0.05 0.03 -0.08 -0.15 0.08 -0.02 0.08 -0.07 0.02 -0.02 -0.04 -0.01 0.02 0.01 -0.04 0.06 0.07 -0.04 -0.01 -0.09 -0.27 -0.05 0.10 -0.28 -0.09 0.01 0.00 0.01 -0.01 0.00 0.00 -0.00 -0.10 0.07 0.10 0.02 -0.04 -0.02 0.05 0.01 -0.00 0.01 0.02 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.07 0.04 -0.02 0.07 -0.15 0.01 0.01 0.01 -0.06 0.03 0.13 -0.02 -0.00 -0.02 -0.01 0.03 -0.11 0.02 -0.01 -0.06 0.04 -0.03 0.03 -0.02 0.01 -0.06 0.03 -0.00 0.07 -0.03 -0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.02 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.02 0.01 -0.01 0.01 -0.02 -0.00 -0.01 0.00 -0.01 0.00 -0.11 0.00 0.03 0.07 0.07 -0.08 -0.08 -0.01 -0.01 -0.17 -0.03 0.26 -0.15 -0.02 0.10 -0.44 -0.08 0.18 -0.21 0.05 0.23 0.59 -0.07 0.00 0.01 0.03 -0.06 0.03 0.03 0.04 -0.07 -0.00 0.01 0.03 -0.02 -0.01 -0.01 0.00 0.02 0.01 0.00 0.01 -0.03 -0.06 -0.02 0.03 -0.07 -0.03 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.02 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.04 0.14 -0.11 -0.22 0.00 -0.00 0.42 -0.12 0.11 0.00 -0.04 0.04 -0.00 0.01 0.00 -0.02 0.02 -0.02 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.10 0.18 -0.16 -0.20 -0.24 0.19 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.03 0.04 -0.12 -0.05 -0.02 0.11 0.07 0.02 0.02 0.07 0.01 0.02 -0.05 0.02 -0.02 -0.01 -0.04 -0.01 0.01 0.06 -0.03 -0.00 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.00 0.02 -0.00 -0.01 -0.39 0.24 -0.14 -0.45 -0.14 0.07 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.00 0.02 0.04 -0.01 -0.01 0.01 0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.03 -0.03 0.04 -0.01 -0.00 0.02 0.01 0.00 -0.03 -0.05 0.02 -0.07 -0.02 -0.01 0.00 0.05 -0.00 -0.02 0.01 0.01 -0.01 0.01 -0.01 -0.00 0.02 -0.01 0.00 0.01 0.03 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.02 0.03 -0.02 -0.04 -0.05 0.03 -0.04 -0.05 0.03 0.04 0.04 -0.03 0.04 0.04 -0.02 -0.01 -0.01 0.01 0.02 -0.13 0.21 -0.01 0.01 0.05 0.06 -0.03 -0.03 0.12 0.32 -0.14 0.10 -0.19 0.06 -0.09 -0.07 -0.20 -0.03 0.03 0.24 -0.13 -0.03 -0.07 0.00 0.01 0.03 0.02 -0.00 0.01 0.01 0.01 -0.03 0.01 -0.00 0.02 0.00 0.00 -0.01 0.25 0.28 -0.15 0.25 0.27 -0.15 -0.22 -0.25 0.13 -0.21 -0.24 0.13 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.00 -0.00 0.02 0.04 0.02 0.02 -0.01 0.00 0.01 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.02 -0.01 0.04 -0.01 -0.01 0.02 0.00 0.00 -0.03 -0.06 0.03 -0.07 -0.01 -0.01 -0.00 0.06 -0.01 -0.03 -0.01 -0.02 0.01 -0.01 0.01 -0.01 0.00 -0.02 0.01 0.00 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.02 -0.03 0.02 0.04 0.04 -0.02 0.04 0.04 -0.03 -0.03 -0.04 0.02 -0.03 -0.03 0.02 0.01 0.01 -0.01 0.02 -0.14 0.25 -0.03 -0.00 0.05 0.05 -0.05 -0.04 0.14 0.37 -0.16 0.11 -0.22 0.07 -0.11 -0.08 -0.25 -0.04 0.04 0.28 -0.15 -0.02 -0.07 -0.02 0.03 0.05 0.00 -0.02 0.02 0.02 -0.01 -0.06 0.02 -0.00 0.02 -0.00 0.00 -0.01 -0.22 -0.24 0.13 -0.21 -0.24 0.13 0.19 0.22 -0.12 0.18 0.20 -0.11 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 -0.00 0.02 -0.01 -0.01 -0.02 -0.01 -0.00 0.01 -0.02 -0.01 -0.01 0.01 -0.02 0.02 0.01 0.01 -0.01 0.10 0.07 0.01 0.01 -0.01 0.00 -0.03 -0.02 -0.02 -0.01 0.01 0.01 0.05 0.03 0.00 0.01 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.06 -0.11 -0.04 0.05 -0.04 -0.02 -0.03 0.12 0.01 0.00 -0.01 -0.01 0.02 -0.01 0.02 -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 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.02 -0.08 -0.06 -0.03 -0.06 -0.07 -0.04 -0.00 0.03 0.02 0.01 -0.01 0.00 -0.01 -0.00 -0.06 -0.01 0.02 0.02 -0.01 0.01 0.03 0.01 0.35 0.68 -0.04 0.10 0.04 -0.03 -0.32 -0.45 0.01 0.01 -0.02 -0.01 0.02 -0.01 0.03 0.02 -0.02 0.01 0.02 -0.00 -0.02 -0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 -0.03 -0.06 -0.06 0.04 -0.05 -0.06 0.03 0.05 0.06 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.30 -0.33 0.18 0.31 0.35 -0.19 0.30 0.34 -0.18 -0.30 -0.33 0.19 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.06 -0.01 0.07 -0.01 -0.03 -0.04 -0.02 -0.01 0.00 -0.03 -0.02 -0.02 0.01 -0.03 0.03 0.01 0.01 -0.01 0.19 0.10 -0.02 0.01 -0.02 0.02 -0.04 -0.01 -0.01 -0.07 0.06 0.04 0.11 0.01 -0.06 0.04 -0.02 -0.03 0.00 -0.00 0.00 -0.01 0.05 0.09 -0.09 0.11 -0.04 -0.03 -0.17 0.01 0.02 0.01 -0.00 -0.02 0.03 -0.02 0.02 -0.00 -0.00 0.01 0.01 -0.00 -0.01 -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 -0.04 0.00 0.15 -0.12 -0.08 -0.05 -0.10 -0.11 -0.05 0.03 0.22 -0.00 0.05 -0.07 0.05 -0.08 -0.04 -0.26 -0.04 0.06 0.14 -0.09 0.02 0.03 0.04 -0.24 -0.58 -0.07 0.11 -0.13 -0.05 0.03 0.41 -0.00 0.02 -0.03 -0.02 0.03 -0.02 0.02 0.02 -0.02 0.03 0.03 -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 0.01 -0.05 0.06 0.04 -0.05 0.02 0.00 -0.00 0.00 0.05 -0.08 0.04 -0.09 0.30 -0.24 0.03 -0.07 0.05 -0.03 0.16 -0.13 0.01 -0.02 0.01 -0.04 -0.07 0.08 -0.03 0.03 0.01 0.00 0.03 0.00 0.00 0.02 -0.02 0.01 -0.02 0.01 0.00 -0.02 -0.00 0.01 -0.00 0.00 -0.02 -0.01 0.01 -0.00 0.01 -0.00 0.11 -0.09 0.09 -0.09 -0.02 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.01 -0.03 0.10 0.19 0.06 -0.16 -0.49 -0.03 0.03 0.08 0.15 -0.22 0.03 -0.03 0.01 -0.02 -0.04 0.03 0.02 -0.04 0.06 -0.03 -0.05 -0.14 0.01 0.01 0.06 0.04 0.02 -0.01 -0.09 -0.01 -0.02 0.24 -0.12 0.08 0.31 -0.23 0.20 0.01 -0.01 -0.01 0.01 0.01 0.01 0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.02 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 0.03 -0.01 0.07 0.08 0.25 0.04 -0.16 -0.22 0.01 -0.10 -0.15 0.03 0.06 0.16 -0.12 0.09 -0.04 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.00 0.00 0.00 0.02 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.02 -0.01 0.00 -0.01 0.00 0.01 -0.00 0.00 0.01 -0.01 0.01 -0.15 0.32 0.35 -0.19 -0.08 -0.44 -0.17 -0.01 -0.33 -0.14 0.26 0.23 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.06 0.01 0.17 -0.21 -0.23 0.01 0.01 -0.00 -0.01 0.01 -0.02 0.02 -0.07 0.06 -0.00 0.02 -0.01 -0.06 -0.03 -0.15 -0.02 0.02 0.02 0.02 0.08 0.08 -0.21 0.20 0.33 -0.06 0.01 0.04 0.01 0.04 -0.04 -0.02 0.08 -0.04 0.02 -0.05 -0.00 0.05 -0.09 0.04 -0.00 0.10 -0.04 -0.01 -0.01 0.01 -0.04 0.04 -0.03 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.04 0.12 0.08 0.13 0.04 0.05 0.15 0.11 -0.02 0.43 0.06 0.01 -0.04 0.30 -0.04 -0.05 -0.01 0.01 -0.03 0.12 -0.07 -0.06 -0.21 -0.06 -0.05 0.19 -0.06 -0.19 0.11 -0.10 0.10 -0.10 -0.12 0.05 -0.03 -0.08 0.06 -0.04 0.00 -0.02 -0.01 0.00 -0.00 0.02 0.01 0.00 0.02 0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.03 0.05 -0.02 0.01 0.10 0.01 -0.00 0.00 -0.03 -0.03 0.02 0.03 -0.08 0.06 0.02 0.02 -0.02 -0.01 0.20 -0.10 0.04 -0.05 -0.02 0.08 -0.13 0.07 0.02 -0.02 -0.08 -0.03 0.03 -0.03 -0.02 0.03 0.00 -0.01 0.05 -0.02 0.04 -0.07 0.04 0.05 -0.07 0.04 -0.03 0.05 -0.03 -0.01 0.01 -0.00 -0.12 0.12 -0.10 0.06 -0.01 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.03 -0.05 0.01 0.34 -0.02 -0.35 -0.32 0.12 0.10 0.10 0.06 -0.26 0.03 -0.03 -0.06 0.02 -0.02 0.16 0.04 -0.08 0.03 0.02 -0.05 -0.12 -0.02 -0.14 0.03 -0.04 -0.16 0.07 -0.29 0.11 -0.05 -0.32 0.16 -0.10 -0.07 0.07 -0.04 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.02 0.01 -0.01 -0.03 0.02 -0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.01 0.03 -0.02 -0.00 -0.01 0.01 0.15 0.02 0.10 -0.02 0.03 0.01 -0.05 0.02 -0.05 0.02 -0.02 -0.00 0.01 0.01 -0.04 0.01 -0.03 -0.00 -0.03 0.18 -0.09 0.05 -0.09 0.06 0.01 -0.11 0.06 -0.04 0.10 -0.05 0.01 -0.01 0.00 0.04 -0.04 0.04 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.04 0.06 -0.01 -0.24 -0.09 0.07 0.03 -0.14 -0.09 -0.04 -0.08 0.13 0.00 0.01 -0.03 -0.01 0.01 -0.12 -0.03 0.06 -0.02 -0.02 0.04 0.11 -0.12 -0.30 0.08 -0.33 -0.43 0.21 -0.41 0.19 -0.08 0.17 -0.05 0.03 0.04 -0.03 0.02 -0.02 0.01 0.01 -0.02 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.03 0.02 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.01 0.00 -0.08 0.03 -0.07 -0.07 0.08 0.02 0.01 -0.07 -0.09 0.03 0.04 0.11 0.28 -0.20 0.08 0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.02 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.35 0.33 0.03 -0.35 0.19 -0.23 -0.24 0.02 -0.35 -0.22 0.32 0.22 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.09 -0.04 -0.01 -0.02 0.03 -0.03 0.00 -0.00 0.00 -0.00 -0.02 0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.07 -0.17 0.11 0.21 0.02 -0.00 0.04 0.09 -0.04 0.02 -0.00 0.02 0.01 0.04 -0.10 -0.11 0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.03 0.03 -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 0.01 -0.00 0.00 -0.26 0.23 0.35 0.13 0.06 -0.04 -0.10 0.01 0.03 0.00 -0.29 -0.18 -0.12 0.23 -0.08 -0.09 -0.02 -0.52 -0.10 0.16 -0.17 -0.13 0.06 0.13 0.02 0.02 0.03 0.03 0.03 -0.01 -0.03 -0.00 -0.00 -0.09 0.03 -0.02 0.00 0.01 0.00 -0.01 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 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 0.01 0.03 -0.05 0.02 -0.04 0.05 -0.05 -0.01 0.05 -0.05 -0.01 -0.06 0.03 -0.04 0.00 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 -0.37 0.36 0.07 0.39 -0.18 0.30 0.34 -0.17 0.26 -0.32 0.32 0.05 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.06 0.04 -0.03 -0.04 0.01 -0.00 0.00 0.03 0.02 -0.01 0.01 0.00 0.00 0.06 -0.07 0.05 -0.04 0.12 0.15 0.06 0.01 0.13 -0.03 -0.05 -0.04 -0.02 0.01 0.00 -0.02 -0.01 -0.03 -0.09 -0.01 -0.06 -0.01 -0.02 0.02 0.01 0.00 0.01 0.02 -0.00 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.08 0.06 -0.01 0.12 -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 0.15 -0.15 0.17 -0.13 -0.13 -0.05 -0.03 -0.02 -0.03 0.02 0.10 0.05 0.10 -0.03 -0.16 0.07 0.07 0.12 0.04 -0.10 -0.39 0.13 -0.04 -0.10 0.09 0.05 -0.08 0.11 0.07 -0.04 -0.06 0.01 0.00 -0.43 -0.06 0.07 -0.33 0.30 -0.25 -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 0.01 -0.01 -0.05 0.03 -0.02 -0.03 0.01 -0.00 0.00 -0.04 0.01 -0.00 0.00 -0.02 0.01 -0.08 0.07 -0.06 -0.04 0.09 0.12 0.05 0.01 0.10 0.02 -0.03 -0.05 -0.02 0.01 0.00 -0.03 -0.01 -0.02 -0.07 -0.01 -0.05 -0.01 -0.02 0.01 0.00 0.00 0.01 0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.03 0.08 -0.06 0.01 -0.14 0.11 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.12 -0.11 0.13 -0.04 -0.07 -0.03 0.06 0.00 -0.03 0.01 0.08 0.05 0.09 -0.03 -0.13 0.05 0.06 0.09 0.03 -0.08 -0.30 0.10 -0.03 -0.08 0.07 0.05 -0.07 0.10 0.07 -0.04 -0.02 0.00 0.00 0.59 0.07 -0.06 0.33 -0.32 0.26 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.03 -0.03 0.06 0.00 0.00 0.00 0.01 0.02 -0.01 0.05 -0.03 0.02 -0.04 0.01 -0.03 0.04 0.07 -0.04 -0.06 -0.02 0.01 -0.06 0.03 -0.02 0.05 0.01 -0.01 -0.00 -0.02 0.01 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.05 -0.10 0.13 0.06 0.04 0.01 -0.03 -0.01 -0.01 0.03 0.02 -0.07 0.00 0.04 -0.04 0.02 0.01 0.08 0.03 -0.07 -0.12 0.05 -0.03 -0.10 -0.46 -0.38 0.19 -0.22 -0.11 0.05 0.64 -0.11 0.06 -0.03 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 0.04 0.01 0.04 -0.00 0.00 -0.00 0.00 -0.03 0.02 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.03 -0.06 0.08 0.16 -0.00 0.01 0.01 0.01 -0.14 -0.10 -0.03 0.01 0.00 0.01 -0.03 -0.10 0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.02 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.08 0.26 -0.21 0.14 0.11 0.05 -0.07 -0.04 -0.02 0.00 0.28 0.28 0.22 -0.42 -0.12 0.09 0.17 -0.15 -0.06 0.12 -0.33 0.12 0.10 0.35 -0.04 -0.03 0.03 -0.03 -0.02 0.01 0.04 -0.01 0.00 -0.09 0.02 -0.01 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 0.05 -0.03 -0.02 0.03 -0.04 -0.04 0.02 0.00 -0.00 -0.01 -0.04 0.03 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.04 0.17 0.16 -0.09 0.04 -0.12 0.01 -0.04 -0.06 0.00 -0.04 0.03 -0.07 -0.04 -0.02 0.09 -0.00 0.06 0.00 0.00 0.00 -0.04 -0.02 0.02 0.03 0.01 -0.00 0.04 0.02 -0.01 -0.04 -0.01 0.00 -0.03 0.03 -0.02 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 -0.13 0.20 -0.33 0.09 0.02 0.02 -0.18 -0.15 -0.12 -0.09 -0.15 0.21 0.01 -0.04 -0.01 -0.06 -0.06 -0.17 -0.06 0.15 0.34 -0.15 0.06 0.15 -0.15 -0.15 0.01 0.15 0.12 -0.06 0.47 -0.07 0.04 -0.08 0.04 -0.02 0.01 0.01 -0.01 0.01 -0.01 -0.01 0.01 -0.00 0.01 -0.01 0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.03 -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 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 0.01 0.02 -0.01 0.02 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.05 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.06 -0.05 0.02 -0.02 0.02 0.01 -0.02 0.00 -0.02 0.02 0.01 0.05 0.02 -0.04 -0.04 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.03 -0.00 0.00 0.04 0.05 -0.02 0.05 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.35 0.40 0.15 -0.38 0.14 -0.36 0.29 -0.09 0.30 0.27 -0.32 -0.14 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.02 0.01 -0.01 -0.02 -0.03 -0.04 0.02 -0.02 -0.11 0.09 -0.01 0.04 -0.03 0.05 0.01 -0.01 0.01 -0.05 0.08 -0.00 -0.03 0.02 0.02 0.04 -0.05 0.01 0.03 -0.00 0.03 -0.04 0.01 -0.01 0.02 -0.01 -0.01 -0.04 0.02 -0.03 0.05 -0.03 -0.01 0.01 -0.00 0.00 0.01 -0.01 0.14 0.02 -0.01 -0.07 0.05 -0.04 0.03 0.01 -0.00 -0.08 0.06 -0.02 -0.02 0.02 -0.00 -0.02 0.01 -0.01 0.03 -0.03 -0.00 0.03 -0.02 0.02 -0.00 0.00 0.00 0.04 -0.13 0.08 0.32 0.30 0.23 -0.18 -0.27 -0.18 -0.06 -0.02 0.16 0.01 0.06 -0.03 -0.01 -0.02 0.05 0.02 -0.04 -0.00 0.00 -0.02 -0.07 0.02 0.10 -0.06 -0.24 -0.21 0.10 -0.28 0.08 -0.04 -0.28 0.06 -0.05 0.15 -0.05 0.05 -0.03 0.02 -0.01 -0.02 0.02 -0.01 0.18 -0.09 0.13 0.17 -0.16 -0.02 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 -0.00 0.00 0.01 -0.02 -0.07 0.03 0.02 0.09 -0.08 0.01 -0.03 0.03 -0.04 -0.01 0.01 0.03 0.09 -0.05 0.00 0.03 -0.01 -0.02 -0.04 0.04 -0.01 -0.03 0.01 -0.08 -0.03 0.02 0.01 -0.02 0.01 -0.02 -0.07 0.04 -0.10 0.02 -0.01 0.05 0.01 -0.00 0.05 0.04 -0.02 0.19 0.04 -0.02 0.06 -0.04 0.03 -0.02 -0.01 0.00 -0.15 0.11 -0.04 -0.04 0.03 -0.01 -0.04 0.02 -0.02 0.05 -0.05 -0.01 0.06 -0.03 0.04 0.00 -0.00 0.00 -0.04 0.13 -0.07 -0.28 -0.27 -0.22 0.10 0.19 0.13 0.05 0.02 -0.16 -0.01 -0.05 0.03 0.00 0.02 -0.05 -0.02 0.04 -0.00 -0.00 0.02 0.06 -0.20 -0.07 0.03 -0.12 -0.16 0.08 0.06 0.05 -0.02 0.22 -0.05 0.04 -0.13 0.04 -0.04 -0.04 0.03 -0.01 -0.03 0.03 -0.01 0.30 -0.15 0.22 0.28 -0.28 -0.04 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.12 -0.03 0.02 0.07 0.03 -0.02 -0.00 -0.09 0.07 -0.07 -0.00 0.00 -0.01 -0.00 -0.01 0.07 0.00 -0.01 -0.00 -0.00 -0.00 0.07 0.02 -0.01 0.01 0.00 0.00 0.02 0.00 -0.00 0.01 0.00 -0.00 -0.03 0.00 -0.00 -0.01 -0.02 0.01 0.01 0.00 -0.00 -0.02 0.04 -0.03 -0.02 0.02 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 0.02 -0.04 0.10 0.03 0.02 0.09 0.09 0.02 -0.02 -0.01 0.05 0.02 -0.00 -0.05 -0.01 -0.01 -0.01 -0.00 0.01 0.03 -0.02 0.00 0.00 -0.03 -0.03 0.01 -0.11 -0.07 0.03 -0.12 0.01 -0.00 0.71 0.02 -0.03 -0.49 0.27 -0.23 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.04 0.01 0.01 -0.05 0.01 -0.01 -0.08 0.02 -0.01 -0.07 -0.07 0.03 0.02 0.03 -0.03 0.02 -0.04 0.03 0.22 -0.02 -0.02 0.05 0.03 0.02 0.04 0.06 0.00 0.01 -0.01 0.02 -0.22 -0.11 0.04 -0.03 -0.01 -0.01 -0.08 -0.02 0.01 -0.04 0.01 -0.00 0.11 -0.00 0.00 0.04 0.07 -0.03 0.06 0.00 -0.00 -0.04 0.03 -0.02 0.00 0.01 -0.01 0.08 -0.06 0.03 0.02 -0.02 0.01 0.02 -0.02 0.01 -0.02 0.02 0.01 -0.02 0.00 -0.02 -0.01 0.01 -0.00 0.10 -0.08 0.10 0.03 0.05 0.03 -0.08 -0.18 -0.09 0.11 0.03 -0.34 -0.15 -0.01 0.36 0.03 0.06 0.02 0.01 -0.02 -0.13 0.07 -0.00 0.01 0.09 0.13 -0.07 0.25 0.11 -0.06 0.38 -0.00 -0.00 0.27 0.02 -0.03 -0.19 0.12 -0.10 -0.02 0.04 0.03 -0.02 0.00 -0.05 -0.10 0.06 -0.06 -0.10 0.09 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.03 0.01 0.01 -0.03 0.01 -0.01 0.23 -0.05 0.02 -0.03 -0.04 0.02 -0.00 0.02 -0.02 0.02 -0.01 0.01 0.08 -0.06 -0.01 0.04 0.01 0.00 0.01 0.04 -0.00 0.01 -0.00 0.01 -0.05 0.05 -0.03 -0.02 -0.01 -0.00 -0.02 0.06 -0.03 0.04 -0.07 0.03 0.00 -0.04 0.02 -0.00 -0.01 0.01 -0.20 -0.04 0.02 -0.02 0.01 -0.01 0.01 0.01 -0.01 -0.20 0.14 -0.06 -0.04 0.04 -0.02 -0.04 0.04 -0.01 0.04 -0.05 -0.03 0.04 -0.01 0.05 0.02 -0.02 0.01 0.09 -0.09 0.05 0.03 0.06 0.06 0.00 -0.08 -0.05 0.06 0.01 -0.20 -0.10 -0.01 0.25 0.02 0.03 0.02 0.01 -0.02 -0.07 0.05 -0.00 0.00 0.08 -0.03 0.02 0.46 0.38 -0.19 0.08 -0.04 0.02 0.06 0.01 -0.01 -0.02 0.03 -0.02 0.03 -0.09 -0.06 0.05 -0.01 0.10 0.23 -0.13 0.14 0.21 -0.20 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.03 -0.00 0.04 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.08 -0.02 -0.06 -0.05 -0.07 0.02 0.00 0.01 0.02 -0.02 0.05 -0.05 -0.06 -0.02 0.01 0.01 0.02 -0.01 -0.03 0.01 -0.00 -0.01 -0.01 0.00 0.03 -0.01 0.00 0.01 0.02 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -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 -0.15 0.02 0.17 -0.01 -0.00 -0.03 -0.03 -0.02 0.01 -0.18 0.03 0.62 0.23 0.08 -0.59 -0.04 -0.07 0.04 0.02 -0.04 0.05 -0.05 -0.02 -0.07 0.02 0.02 0.01 0.14 0.09 -0.05 0.11 -0.01 0.00 0.07 -0.00 -0.00 -0.07 0.03 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.03 0.00 -0.00 -0.10 -0.02 0.02 -0.14 -0.04 0.03 0.06 -0.07 0.06 -0.01 -0.00 -0.01 -0.00 -0.01 0.00 0.04 0.01 -0.02 -0.00 -0.00 0.00 0.01 0.05 -0.03 0.00 0.00 -0.00 -0.07 -0.01 0.01 0.01 0.00 -0.00 0.03 0.00 -0.00 0.01 -0.01 0.00 0.06 -0.02 0.01 0.01 0.01 -0.01 0.09 0.12 -0.09 0.01 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 0.04 -0.01 -0.09 -0.08 -0.02 0.28 0.19 0.07 0.00 0.01 -0.00 0.02 0.00 -0.05 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.30 -0.29 0.14 0.26 0.21 -0.10 -0.14 0.03 -0.01 0.13 0.00 -0.01 0.62 -0.15 0.12 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.03 -0.01 0.00 -0.05 -0.00 -0.00 -0.07 -0.02 0.02 0.02 -0.04 0.03 0.02 0.03 -0.02 -0.00 -0.01 0.00 0.02 0.00 -0.00 -0.01 -0.00 0.00 -0.03 -0.06 0.03 0.00 0.00 -0.00 0.12 0.00 -0.00 -0.04 -0.02 0.01 -0.04 -0.01 0.01 -0.00 0.01 -0.01 -0.08 0.06 -0.03 0.01 0.01 -0.01 0.04 0.06 -0.05 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.04 0.06 -0.00 -0.05 -0.06 -0.04 0.10 0.07 0.03 0.01 0.02 -0.01 0.02 0.00 -0.06 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.45 0.43 -0.21 -0.40 -0.34 0.17 0.26 -0.05 0.02 0.09 0.00 -0.01 0.30 -0.07 0.05 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.03 -0.06 0.03 0.00 0.00 -0.00 -0.02 0.02 -0.01 0.02 0.03 -0.01 0.01 0.03 -0.01 -0.04 0.01 -0.01 -0.00 -0.04 0.02 0.01 0.00 -0.00 0.00 0.01 -0.00 0.01 0.15 0.29 0.17 -0.21 -0.11 -0.19 0.04 -0.22 -0.17 0.03 -0.21 0.15 -0.20 -0.12 0.02 0.20 0.41 -0.02 0.04 -0.03 0.01 0.00 -0.01 -0.02 -0.00 0.00 0.02 0.01 -0.04 0.01 0.00 -0.03 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.05 0.06 -0.03 -0.04 -0.02 0.00 0.02 -0.00 -0.00 0.02 0.00 -0.00 0.02 -0.00 0.00 -0.22 0.20 0.03 0.23 -0.11 0.15 -0.17 0.03 -0.22 0.15 -0.21 -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.03 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.01 -0.02 0.01 -0.00 -0.00 -0.02 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.06 0.12 -0.02 0.01 -0.01 0.02 -0.01 0.00 -0.04 0.01 -0.04 0.04 -0.04 -0.02 -0.00 -0.02 -0.05 -0.01 0.02 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.02 0.00 0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.02 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.29 -0.33 -0.13 -0.32 0.11 -0.31 0.38 -0.15 0.34 -0.34 0.37 0.12 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 0.02 -0.02 -0.00 -0.07 -0.01 0.00 -0.02 -0.04 0.03 0.02 0.03 -0.02 0.03 0.04 -0.03 0.03 -0.06 0.00 -0.01 0.02 -0.02 0.00 0.03 -0.01 0.02 0.04 -0.03 -0.15 0.34 -0.17 -0.01 -0.01 0.00 0.20 -0.14 0.07 -0.13 -0.18 0.09 -0.10 -0.16 0.08 0.22 -0.07 0.04 -0.01 0.27 -0.13 -0.03 -0.02 0.02 0.00 -0.03 0.02 0.05 0.03 0.09 0.03 -0.04 -0.02 -0.01 -0.01 -0.02 -0.04 0.02 -0.04 0.03 -0.05 -0.03 -0.00 0.02 0.04 0.10 -0.25 0.19 -0.08 -0.02 0.03 0.13 0.03 0.01 -0.09 -0.06 0.27 -0.06 -0.01 0.21 0.03 0.03 0.01 -0.02 0.02 -0.02 0.01 0.01 0.05 -0.14 -0.18 0.09 0.09 -0.00 0.00 -0.03 -0.02 0.01 -0.08 -0.02 0.02 -0.08 0.02 -0.01 0.07 -0.07 -0.03 -0.12 0.05 -0.14 0.10 -0.03 0.09 -0.15 0.16 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.02 0.00 0.00 -0.00 0.00 -0.09 -0.08 0.07 0.02 0.06 -0.04 0.09 0.11 -0.08 0.00 0.01 -0.00 0.02 -0.05 0.03 0.04 0.02 -0.03 -0.04 -0.03 0.04 -0.00 -0.01 0.00 0.00 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.08 -0.07 0.06 0.03 -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 -0.20 0.39 -0.18 -0.28 -0.20 -0.02 0.44 0.27 0.11 0.11 0.11 -0.29 0.08 0.03 -0.30 -0.05 -0.05 0.00 0.04 -0.06 0.01 -0.00 -0.02 -0.08 0.02 0.02 -0.01 -0.01 -0.01 0.01 0.02 -0.00 0.00 -0.16 -0.08 0.07 -0.15 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 0.01 0.02 -0.02 -0.01 0.03 -0.01 -0.01 0.00 -0.00 0.06 0.02 -0.01 0.01 -0.02 0.01 -0.05 -0.05 0.04 0.02 -0.06 0.05 0.03 -0.08 0.05 -0.02 0.01 0.00 -0.05 -0.04 0.06 -0.02 0.04 -0.02 0.00 0.04 0.00 0.02 -0.01 0.00 -0.02 -0.02 0.01 -0.02 -0.03 0.01 0.04 -0.01 0.00 -0.00 0.02 -0.01 0.04 0.05 -0.04 -0.03 0.03 -0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.20 0.47 -0.32 0.12 0.12 0.06 -0.23 -0.20 -0.09 0.16 0.17 -0.41 0.09 0.06 -0.37 -0.08 -0.07 -0.02 0.08 -0.10 -0.01 0.00 -0.04 -0.14 -0.03 -0.02 0.01 0.06 0.05 -0.03 -0.07 0.02 -0.01 0.01 0.06 -0.05 0.06 -0.02 0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 0.01 -0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 0.02 0.05 -0.05 -0.02 -0.02 -0.02 -0.02 -0.00 0.03 -0.06 0.00 -0.00 -0.00 -0.04 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.44 0.58 0.40 0.08 0.06 0.08 0.05 0.09 0.03 -0.07 -0.01 0.14 -0.10 -0.11 0.40 0.03 0.01 0.13 0.01 -0.10 0.01 0.12 0.05 0.10 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -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 0.03 -0.06 0.06 0.09 0.01 -0.00 -0.05 -0.04 0.03 0.05 0.03 -0.02 -0.01 0.02 -0.00 -0.09 -0.07 -0.07 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 -0.00 0.06 0.07 -0.05 -0.12 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 0.09 -0.15 -0.02 0.10 0.14 0.36 0.45 0.60 0.25 0.01 -0.00 -0.02 0.02 0.04 -0.09 0.01 0.01 -0.00 -0.02 0.04 0.01 -0.03 0.00 0.01 0.02 0.01 -0.01 0.00 -0.01 0.01 0.06 -0.01 0.01 -0.23 0.09 -0.06 0.10 -0.10 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 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.02 0.09 -0.04 -0.10 -0.01 0.00 0.04 0.03 -0.02 0.05 0.00 0.01 -0.01 -0.00 0.02 -0.08 -0.10 -0.04 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.01 0.02 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.08 -0.07 0.05 0.11 -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 0.05 -0.03 -0.14 0.59 0.43 0.33 0.05 0.27 0.11 0.02 0.03 -0.01 -0.01 0.02 -0.02 -0.06 -0.02 -0.09 0.04 -0.01 -0.07 -0.03 -0.05 -0.08 0.01 0.01 -0.01 0.03 0.02 -0.01 -0.00 0.01 -0.00 0.30 -0.08 0.07 -0.14 0.12 -0.09 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -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 0.01 -0.01 0.02 0.01 0.02 -0.05 -0.01 -0.01 -0.00 -0.00 -0.03 0.06 -0.00 -0.00 0.00 -0.02 -0.04 -0.11 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 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 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.09 0.27 0.07 0.05 0.03 -0.03 -0.01 -0.01 0.07 0.00 -0.20 0.09 0.07 -0.30 0.28 0.04 0.47 -0.19 0.08 0.41 0.03 0.24 0.39 -0.01 0.01 -0.00 0.02 0.03 -0.01 -0.05 0.02 -0.01 0.04 -0.01 0.01 -0.02 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.00 0.01 -0.00 0.03 -0.02 -0.01 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.01 0.04 -0.01 -0.00 0.02 -0.09 0.01 -0.01 -0.00 0.01 -0.01 0.03 -0.03 -0.10 0.05 -0.01 -0.01 0.08 0.15 0.07 -0.03 -0.11 0.03 -0.02 -0.16 -0.02 0.01 0.16 0.04 -0.02 0.02 -0.13 0.06 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.01 -0.01 0.02 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.01 -0.00 0.01 0.01 -0.07 -0.07 0.37 -0.04 -0.04 0.02 0.00 0.07 0.02 0.02 -0.03 -0.06 0.04 0.04 -0.14 -0.03 0.14 -0.24 0.02 0.05 -0.22 0.06 -0.15 -0.17 -0.05 0.11 -0.05 0.19 0.32 -0.16 -0.49 0.19 -0.10 -0.03 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.02 -0.02 -0.03 0.00 -0.04 -0.03 0.01 -0.04 0.01 -0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 0.02 0.00 0.00 -0.01 0.01 0.00 0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 0.03 0.01 0.02 -0.15 -0.00 0.00 -0.00 0.00 -0.03 0.07 0.01 0.04 -0.02 -0.03 -0.02 0.10 -0.06 -0.03 0.01 0.05 -0.01 0.01 0.06 0.01 -0.00 -0.06 -0.02 0.01 -0.01 0.05 -0.02 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.02 0.02 -0.01 0.01 -0.02 0.02 -0.00 -0.02 0.02 -0.00 0.02 -0.01 0.01 -0.00 -0.01 -0.02 -0.13 -0.06 0.61 0.04 0.03 0.01 -0.03 -0.04 -0.02 0.07 -0.01 -0.20 0.08 0.11 -0.32 -0.00 0.22 -0.27 0.01 0.07 -0.24 0.13 -0.19 -0.19 0.01 -0.05 0.03 -0.08 -0.13 0.07 0.18 -0.08 0.04 0.02 -0.00 0.00 -0.01 0.01 -0.01 -0.03 0.05 0.04 0.04 -0.00 0.06 0.05 -0.01 0.07 -0.03 0.05 0.04 -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 0.02 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 0.03 0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.01 -0.02 0.01 0.01 0.00 -0.02 0.03 0.02 -0.01 -0.02 0.01 -0.00 -0.03 -0.00 0.00 0.03 0.01 -0.01 0.00 -0.03 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.07 -0.13 0.14 -0.09 0.07 -0.14 0.11 -0.01 -0.13 0.11 0.00 0.13 -0.08 0.08 -0.01 -0.07 -0.14 0.03 0.01 -0.14 -0.01 -0.01 0.00 0.01 0.02 0.01 -0.02 -0.00 0.05 -0.02 -0.03 0.08 -0.00 -0.05 0.05 -0.00 -0.01 0.05 -0.03 0.04 0.04 -0.01 0.03 -0.01 0.05 0.07 -0.03 -0.11 0.04 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.20 0.30 0.22 0.23 -0.01 0.35 0.24 -0.02 0.37 -0.22 0.32 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.09 -0.03 0.04 -0.03 0.01 -0.01 -0.01 -0.02 0.02 -0.00 0.02 0.01 -0.00 0.00 -0.00 -0.10 0.02 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.06 0.03 -0.03 0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.16 0.08 -0.58 0.67 -0.36 -0.01 -0.00 -0.01 0.00 0.01 -0.01 0.00 0.01 0.01 -0.01 -0.01 0.02 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.02 0.01 -0.00 0.11 0.04 -0.03 -0.05 0.04 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.04 0.04 0.00 0.00 -0.00 0.00 0.01 -0.02 0.00 0.00 -0.00 -0.01 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 0.07 -0.16 -0.01 -0.00 0.01 -0.01 0.01 0.00 -0.02 0.01 0.05 -0.02 -0.00 0.05 0.40 0.54 -0.06 -0.29 0.39 0.26 0.18 -0.23 -0.35 0.01 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.22 -0.07 0.06 -0.12 0.02 -0.02 -0.04 -0.04 0.03 -0.01 -0.00 -0.02 -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 -0.00 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 -0.01 -0.01 0.00 -0.11 0.08 -0.07 0.12 -0.02 0.02 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.60 -0.33 0.34 -0.23 0.33 0.05 -0.01 -0.02 0.00 0.01 -0.01 0.01 -0.01 -0.02 0.01 0.00 0.01 -0.02 -0.03 0.00 0.00 -0.03 -0.02 0.01 -0.03 -0.02 0.01 -0.03 0.00 -0.00 0.20 0.10 -0.07 -0.19 0.16 -0.12 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 0.02 0.01 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.04 0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.04 -0.07 -0.06 -0.01 -0.00 0.00 0.01 0.01 0.01 -0.04 -0.08 -0.01 0.06 -0.04 -0.03 -0.08 0.13 -0.33 0.15 -0.48 0.37 0.66 0.05 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 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.02 -0.08 -0.01 -0.03 0.00 -0.00 -0.01 -0.00 -0.00 0.02 -0.02 0.01 0.02 0.02 -0.01 0.02 0.03 -0.01 0.02 -0.01 0.01 -0.03 -0.02 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.01 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.28 0.55 0.27 -0.50 0.47 -0.00 -0.00 0.02 -0.02 0.01 -0.05 0.05 0.08 0.02 0.03 -0.08 -0.07 0.03 -0.09 -0.07 0.03 -0.08 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.00 0.00 -0.03 0.02 0.00 -0.03 0.01 -0.02 -0.03 0.01 -0.02 -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 -0.03 0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.04 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.01 -0.04 -0.00 0.14 -0.00 0.00 -0.00 -0.00 0.00 -0.07 0.07 -0.04 -0.08 -0.09 0.04 -0.08 -0.11 0.05 -0.06 0.05 -0.03 0.13 0.05 -0.02 -0.00 0.01 -0.00 0.01 -0.00 0.00 0.04 -0.03 0.01 -0.02 0.04 0.03 -0.03 -0.00 -0.05 -0.03 0.00 -0.05 -0.02 0.04 0.03 0.03 -0.02 0.01 -0.00 -0.01 0.02 -0.04 -0.03 -0.02 0.00 -0.00 -0.00 0.13 0.25 0.12 -0.23 0.22 0.00 -0.01 -0.00 -0.01 0.01 -0.03 0.01 0.03 0.01 0.02 0.32 0.28 -0.14 0.35 0.28 -0.14 0.34 -0.03 0.01 0.00 0.01 -0.01 -0.02 0.01 -0.01 0.13 -0.12 -0.02 0.14 -0.06 0.10 0.15 -0.07 0.11 0.13 -0.14 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.08 -0.01 0.00 0.00 -0.00 0.00 -0.05 0.04 -0.02 -0.05 -0.04 0.02 -0.03 -0.05 0.02 -0.02 0.02 -0.01 0.06 0.03 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.11 0.07 -0.03 0.04 -0.08 -0.07 0.05 0.01 0.10 0.10 -0.02 0.12 0.08 -0.11 -0.07 -0.09 0.07 -0.03 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.02 0.01 -0.02 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.15 0.14 -0.07 0.16 0.11 -0.05 0.14 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.28 0.27 0.04 -0.30 0.14 -0.21 -0.36 0.16 -0.29 -0.33 0.33 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 -0.12 -0.03 0.02 -0.12 0.04 -0.04 -0.18 -0.02 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.01 -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 0.30 0.04 -0.03 0.25 -0.08 0.07 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.09 0.06 -0.08 0.19 -0.01 0.01 0.01 0.01 0.01 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.59 0.06 -0.05 -0.45 0.30 -0.25 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.04 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.04 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.07 -0.29 0.15 0.00 -0.00 0.00 -0.14 0.13 -0.07 0.07 0.23 -0.12 -0.01 -0.22 0.11 0.18 -0.21 0.11 -0.15 0.40 -0.20 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.02 0.02 -0.02 0.01 0.03 -0.02 0.02 -0.04 0.01 -0.03 -0.03 0.02 -0.01 0.02 -0.00 0.02 0.01 -0.01 -0.00 -0.01 -0.02 -0.03 0.01 0.01 0.01 0.01 0.01 0.02 -0.02 0.01 0.02 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.01 -0.38 -0.17 0.08 0.26 -0.00 0.00 -0.32 -0.13 0.06 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.02 -0.03 0.01 -0.04 0.05 -0.02 0.05 0.02 -0.03 -0.03 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.09 0.03 -0.02 -0.00 0.00 0.00 -0.12 -0.00 0.00 -0.14 -0.09 0.04 0.11 0.07 -0.04 0.14 0.02 -0.01 -0.04 -0.04 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.14 0.13 0.01 0.23 -0.22 -0.04 0.21 -0.13 0.11 -0.19 0.13 -0.08 -0.21 0.20 0.02 0.10 -0.10 -0.02 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.13 0.17 -0.08 -0.10 -0.12 0.06 -0.12 0.09 -0.05 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.23 0.28 0.14 -0.19 0.01 -0.27 0.13 0.01 0.23 0.18 -0.23 -0.13 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.02 0.01 0.00 -0.00 -0.00 0.03 0.00 -0.00 0.04 0.03 -0.01 -0.03 -0.03 0.01 -0.03 -0.01 0.01 0.01 0.02 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.05 0.16 0.37 0.03 -0.13 -0.19 -0.13 -0.03 -0.26 0.13 0.02 0.25 -0.04 0.14 0.18 -0.03 -0.15 -0.33 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 -0.05 0.02 0.03 0.03 -0.02 0.02 -0.03 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.21 0.12 -0.12 0.28 -0.19 0.10 -0.28 0.19 -0.11 0.24 -0.16 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 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.18 0.02 -0.00 -0.00 -0.00 0.00 -0.26 0.01 -0.01 -0.26 -0.13 0.06 0.23 0.12 -0.06 0.33 -0.00 0.00 -0.19 -0.02 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.11 -0.07 0.04 -0.11 0.10 0.00 -0.13 0.06 -0.09 0.10 -0.06 0.06 0.09 -0.08 0.01 -0.04 0.03 -0.02 -0.00 0.00 0.00 0.01 0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.14 0.27 -0.13 -0.18 -0.26 0.13 -0.34 0.15 -0.08 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.11 -0.15 -0.09 0.15 -0.04 0.16 -0.08 0.01 -0.11 -0.05 0.08 0.07 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 0.02 0.01 0.00 -0.00 -0.00 -0.03 -0.05 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.43 -0.25 -0.11 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.19 0.08 -0.04 0.55 0.52 0.29 0.08 -0.06 -0.03 -0.05 -0.02 -0.01 0.00 0.09 -0.05 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.03 0.02 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.31 -0.18 -0.08 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 -0.02 0.01 -0.04 -0.04 -0.02 -0.41 0.31 0.17 0.52 0.28 0.11 -0.01 -0.40 0.22 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.05 -0.03 -0.01 0.00 -0.00 0.00 -0.01 -0.03 -0.01 0.00 -0.00 0.00 0.01 -0.00 -0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.63 0.37 0.15 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.18 0.09 -0.04 0.34 0.32 0.17 -0.20 0.15 0.08 0.11 0.06 0.03 -0.00 -0.21 0.12 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.01 -0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.05 0.02 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.04 0.02 0.01 -0.22 0.31 -0.06 -0.09 -0.25 0.69 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.32 -0.24 -0.14 0.24 0.14 0.06 -0.01 -0.15 0.09 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 -0.02 0.00 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.07 0.03 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.05 0.03 0.01 0.15 -0.21 0.04 0.06 0.17 -0.46 -0.04 0.02 -0.01 -0.00 -0.00 -0.00 0.49 -0.37 -0.21 0.37 0.21 0.08 -0.02 -0.22 0.13 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.04 -0.08 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 0.08 0.05 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.08 0.04 -0.02 -0.00 -0.00 -0.00 -0.07 0.04 0.03 0.51 0.26 0.12 0.02 0.68 -0.40 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.08 0.02 -0.02 -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 0.07 0.04 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.83 -0.43 0.18 0.18 0.18 0.09 0.02 -0.02 -0.01 0.06 0.03 0.01 0.00 0.04 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 -0.07 0.05 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.50 0.72 -0.13 0.06 0.15 -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 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.06 -0.01 0.02 0.02 -0.01 0.03 0.03 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.02 0.01 0.01 -0.01 0.00 0.02 0.06 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 0.31 0.07 0.63 0.14 -0.27 -0.26 0.17 -0.32 -0.32 0.14 0.03 0.28 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 0.02 -0.01 -0.00 0.00 -0.00 -0.02 -0.07 0.03 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.31 -0.27 0.14 0.02 -0.02 0.01 0.21 0.78 -0.39 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.05 -0.01 0.02 0.01 -0.01 0.03 0.03 -0.01 -0.00 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.03 0.02 -0.04 -0.04 -0.01 0.02 0.02 0.02 0.01 0.04 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.19 0.04 0.38 -0.24 0.46 0.45 0.10 -0.19 -0.18 -0.23 -0.05 -0.46 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.03 0.01 -0.02 -0.02 0.02 -0.04 -0.04 -0.02 -0.00 -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 0.19 0.04 0.38 -0.13 0.25 0.24 -0.22 0.43 0.42 0.23 0.05 0.45 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.02 0.00 0.03 0.02 -0.03 -0.03 -0.02 0.03 0.03 -0.02 -0.00 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -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 -0.16 -0.03 -0.32 -0.17 0.31 0.30 0.18 -0.35 -0.34 0.27 0.06 0.55 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.06 0.05 -0.02 -0.01 0.00 -0.00 0.01 0.03 -0.02 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.64 -0.55 0.29 0.06 -0.05 0.03 -0.11 -0.37 0.19 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.06 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 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.07 0.06 -0.03 0.71 -0.62 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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -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 0.04 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.06 -0.04 0.56 0.64 -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 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.06 0.00 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 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.03 0.78 -0.62 -0.04 -0.04 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 17 17 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 40 41 42 43 44 17 17 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 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 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 405.06470 0.99998 5.0E-5 -0.00561 2.9E-4 0.9981 0.06161 0.0056 -0.06161 0.99808 asymmetric 1 0.01996 0.00308 0.00298 0.41589 0.06425 0.06202 875808.9 39.46 43.68 48.81 68.27 70.11 86.33 106.71 141.15 168.43 186.59 212.41 250.02 261.23 284.98 338.84 360.81 376.48 395.68 415.11 463.42 489.83 510.30 552.80 578.22 599.09 614.21 621.87 648.23 665.36 686.10 734.93 763.39 850.62 877.83 899.48 923.10 928.52 945.62 973.40 993.98 1015.02 1036.79 1059.64 1078.63 1164.79 1189.84 1190.40 1207.05 1239.77 1250.06 1258.71 1267.47 1286.56 1293.89 1313.27 1336.21 1364.32 1390.37 1391.74 1412.29 1414.32 1424.30 1469.15 1477.65 1486.77 1515.50 1538.82 1565.37 1576.76 1616.91 1641.97 1643.37 1665.72 1672.16 1691.09 1701.82 1736.99 1740.12 1765.68 1778.55 1787.69 1802.43 1850.53 1855.39 1890.08 1891.98 1897.64 1916.54 1939.89 1968.66 1996.90 2008.11 2020.22 2045.23 2050.03 2051.55 2096.98 2120.42 2128.56 2137.55 2161.68 2163.21 2174.34 2204.53 2303.50 2329.46 2334.66 2356.43 4346.19 4360.67 4363.04 4460.55 4460.65 4470.70 4497.73 4562.20 4593.07 4593.62 4595.15 4612.40 4614.19 4616.94 4623.49 4671.27 4699.94 0.333578 0.356097 0.357041 0.279359 -2044.641385 -2044.618867 -2044.617923 -2044.695605 223.454 87.446 163.495 0.000 0.000 0.000 0.889 2.981 43.888 0.889 2.981 36.515 221.676 81.485 83.092 1 0.593 1.984 6.008 2 0.594 1.984 5.806 3 0.594 1.983 5.585 4 0.595 1.979 4.921 5 0.595 1.978 4.868 6 0.597 1.973 4.457 7 0.599 1.966 4.040 8 0.604 1.951 3.492 9 0.608 1.935 3.148 10 0.612 1.924 2.951 11 0.617 1.905 2.703 12 0.627 1.875 2.394 13 0.630 1.865 2.312 14 0.637 1.843 2.151 15 0.655 1.786 1.837 16 0.663 1.761 1.725 17 0.669 1.743 1.651 18 0.677 1.720 1.564 19 0.685 1.695 1.483 20 0.707 1.631 1.299 21 0.720 1.595 1.210 22 0.731 1.566 1.145 23 0.753 1.504 1.023 24 0.767 1.466 0.956 25 0.780 1.435 0.904 26 0.789 1.412 0.869 27 0.793 1.400 0.851 28 0.809 1.360 0.794 29 0.820 1.333 0.759 30 0.833 1.301 0.719 31 0.866 1.226 0.632 32 0.886 1.182 0.586 33 0.949 1.051 0.465 34 0.969 1.010 0.433 0.868964e+25 24.939002 57.424174 0.127197e+10 9.104476 20.963831 0.100000e+01 0.000000 0.000000 0.320435e+09 8.505740 19.585191 0.213199e+08 7.328785 16.875152 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -2044.9749635 5.162E-9 4.654E-6 0.333578 0.3560965 -2044.618867 -2044.6179228 -2044.6956045 -11.207164,8.9177471,2.2894169,-17.2843514,-5.6647582,-4.3035889 C01 [X(C19H17Cl2N3O3)] -0.3143329 -1.0118057 -1.8711267 -0.130032 -0.0439321 -0.0035402 -0.0713295 -0.1257644 -0.1378652 -0.1030223 -0.1487799 -0.9978544 -0.837279 -0.0656693 0.4410495 -0.0525376 -0.1432708 0.0418355 0.4975028 0.0526284 -0.389864 -1.4382608 0.448037 -0.2193714 0.4595831 -0.9611961 0.1911337 -0.2098123 0.1795872 -0.7866384 -1.1660496 0.3637239 0.1054779 0.3556744 -1.0141241 -0.0881158 0.1407648 -0.0140333 -0.821497 -3.0094688 -0.5549131 0.0790257 -0.6268043 -0.4859185 -0.0522574 0.0577506 -0.0575137 -0.716895 -0.8024691 -0.2214069 -0.2047184 -0.1853688 -0.2609653 -0.0840061 -0.3535222 -0.1190881 -0.1068426 -0.4262284 -0.0475703 0.1851158 -0.0997638 -0.3101785 0.0283783 0.5055265 0.1974825 -0.3077437 -0.866245 -0.1926248 -0.1098264 -0.1128071 -0.4454175 0.0199398 -0.1985013 -0.1010344 -0.7548766 1.6674665 -0.1358508 0.0512217 -0.1386203 1.131983 0.0035908 0.1733816 -0.0282502 1.0284226 0.9661358 -0.3417314 0.1278554 -0.2654939 0.6226362 -0.1203646 -0.1207736 0.0740223 0.3177438 0.5354266 0.1859963 0.2046332 0.2205141 0.1521566 0.0483199 0.1685154 0.0663041 0.2189135 0.5387059 -0.1840541 -0.0361 -0.3032733 0.7589292 0.1097442 0.1242368 -0.0886083 0.2406621 -0.4295192 0.0031982 0.0547398 -0.1716917 -0.2365756 -0.0947053 0.0427151 -0.0747143 -0.5313463 0.0691455 0.0367513 -0.0091804 0.064667 -0.0648395 0.0714841 -0.0286463 0.0736024 0.0611417 0.539212 0.1373574 0.0148499 0.132776 0.0344869 0.192435 0.0595313 0.2411195 1.3971901 0.0523249 0.0779022 0.1775463 0.057392 -0.1038952 0.0914017 0.1256544 0.0755743 0.2020993 -0.5638499 -0.0871425 -0.0560833 -0.1677461 -0.1980525 -0.0566305 -0.5070747 -0.1624252 -0.4517898 -0.5658333 -0.0924626 -0.1307942 -0.0597376 -0.2053867 0.0039267 0.1156771 0.0550332 0.0047202 2.2701037 0.5266912 0.3144466 0.6559841 0.303195 0.1066567 0.8305507 0.2217609 0.464579 0.9238066 0.3176837 0.159098 0.1959937 0.1873124 0.0512793 0.0553248 -0.0178232 0.1767276 0.2812368 0.0272573 -0.1378488 0.0960557 0.0180444 -0.0948129 -0.1111486 -0.0639633 0.6226109 1.5856983 0.1871943 -0.5043479 0.1167319 0.3003138 -0.0875968 -0.9930347 -0.1894441 0.34578 -0.2332977 -0.0243851 -0.0211132 0.0451503 -0.0363117 -0.075876 0.0594203 0.0188141 -0.0872316 -0.1993523 -0.0616635 -0.0368519 -0.0906556 -0.0565314 0.0506708 0.0620138 0.0017557 -0.0969762 -0.2288383 -0.0867947 0.0509826 -0.0598837 -0.0227615 0.0290235 0.039281 0.021705 -0.1738254 -0.2654336 0.0176163 0.0516768 -0.0026743 -0.0199411 -0.053765 0.0448671 -0.048014 -0.1551919 1.0803669 0.0821704 -0.695154 0.071694 0.09271 -0.0745831 -0.719884 -0.0801257 0.437862 -0.1653335 -0.0425861 -0.0551177 -0.1048767 -0.0813738 -0.0413259 -0.0501714 -0.0354551 -0.0086256 0.0133527 -0.0127398 -0.0081231 0.0336386 0.1076356 -0.0182272 0.0544751 -0.0682801 0.0317035 0.0190875 -0.0693722 -0.0435521 0.0172747 0.0315803 0.0559425 -0.0830004 0.0516386 0.0023159 -0.0908941 0.0201277 0.0915623 -0.0206649 0.0639863 0.0298305 0.0780031 -0.0123177 0.0617595 -0.0116204 -0.099339 -0.0727985 -0.0122532 -0.1559821 -0.0868084 -0.0390933 -0.054433 0.0176496 -0.1031807 0.0976305 0.0485842 0.0786264 0.0320387 0.0166297 0.0679964 -0.0137842 0.0828028 -0.034296 -0.1343273 -0.0613753 -0.0736838 -0.0253327 -0.009084 -0.0861075 -0.0419118 0.0457075 0.1097843 -0.0129417 0.0261296 0.0191492 0.0479566 -0.0249609 -0.0074356 0.0253314 -0.1516446 0.1018116 -0.0133715 0.0786047 -0.013098 0.1566724 -0.0018598 0.0847263 -0.0052133 0.0614538 0.1103793 -0.0161655 0.0289491 -0.0103886 0.1875947 -0.0025198 0.0913265 0.0030679 0.0796342 0.106012 -0.0239273 -0.0362398 -0.0259789 0.1837056 -0.0381092 -0.0417612 -0.038229 -0.0291823 0.1280091 -0.0081279 -0.0120111 -0.0101675 0.1988885 0.001028 -0.0340139 -0.0012494 0.0752449 0.0901655 -0.0258213 -0.0447671 -0.0130293 0.1834302 0.0014987 -0.0377456 0.0019009 0.0233471 0.1250788 -0.0376028 0.062252 -0.0414165 0.0225639 0.0600694 0.0678838 0.0605379 0.1263444 0.0824639 0.0801832 0.0577228 0.0832948 0.0511557 -0.0087658 0.0622496 -0.0098116 0.1455774 0.0663937 0.0704059 0.0420157 0.0642766 0.0541152 -0.0093678 0.0557895 -0.0122641 0.1582667 0.1053141 -0.0434035 0.0453752 -0.0345318 0.0307282 0.0567888 0.0595844 0.0649009 0.1377653 446.2093475|29.9437621|298.9008118|-23.1951558|2.042384|355.5556693 0.000001812 -0.000001356 0.000000084 0.000002296 -0.000004805 0.000004809 0.000004153 -0.000008596 0.000003201 -0.000009300 0.000005030 -0.000002211 -0.000003356 0.000001367 0.000002536 -0.000010583 0.000000074 0.000004255 -0.000000752 -0.000006491 0.000004929 0.000010173 -0.000006097 -0.000001836 0.000006042 -0.000001466 -0.000021019 -0.000008236 0.000005300 -0.000002405 0.000003209 -0.000003158 0.000008371 0.000003813 0.000002092 -0.000000452 -0.000004727 -0.000005409 0.000002894 -0.000000997 0.000000892 -0.000009305 -0.000000743 -0.000003684 -0.000005629 -0.000002676 0.000004328 -0.000000193 0.000011251 -0.000000348 0.000005056 -0.000003699 0.000007357 0.000001181 0.000004579 0.000001590 0.000004684 -0.000002248 0.000006446 0.000003144 0.000003750 0.000006714 0.000005699 -0.000005056 -0.000001614 0.000000215 -0.000007436 -0.000000532 0.000004001 -0.000005497 -0.000000231 0.000003039 0.000001853 -0.000003000 0.000006529 0.000004362 -0.000001591 -0.000002321 0.000002213 0.000000286 0.000002275 0.000004753 -0.000000796 -0.000006437 -0.000002502 0.000000543 0.000000575 -0.000000149 -0.000001053 0.000002150 -0.000001421 0.000001969 -0.000006770 -0.000000529 0.000006652 -0.000006518 0.000001104 -0.000000352 -0.000007514 0.000002925 -0.000002067 -0.000006582 0.000002550 -0.000003447 -0.000006797 -0.000003092 0.000004923 -0.000000005 0.000004555 0.000000103 0.000001474 -0.000002536 0.000004867 0.000000704 -0.000001844 0.000004432 0.000002309 0.000002454 -0.000003906 -0.000000948 -0.000002531 0.000000259 0.000006952 -0.000000439 -0.000000674 -0.000001906 -0.000000246 -0.000002426 0.000007487 0.000002749 -0.000002126 0.000000297 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 7-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/octanol/CON #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction difenoconazole_RR CONF80 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 739 A 712 A 712 1142 739 105 105 2687.7942585782 44 44 44 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 -0.0516584699 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 7.883956 0.000000 3.055660 10.528244 0.000000 4.605412 11.381243 2.279207 0.000000 5.118430 5.908822 6.391269 6.323308 0.000000 4.451344 11.989175 2.871125 2.849191 7.863948 0.000000 4.510795 12.275777 3.161314 3.902939 8.648944 1.360523 0.000000 6.498372 14.165259 4.436281 4.149276 9.927002 2.190834 2.258425 0.000000 3.205240 10.305124 1.421583 1.422839 5.721443 2.477768 3.320785 4.338049 0.000000 4.478737 11.798192 1.449225 2.305388 7.400149 3.301225 3.568026 4.181713 2.338483 0.000000 3.444858 10.664056 2.456180 2.376096 6.439682 1.452013 2.456278 3.603873 1.543149 3.362603 0.000000 5.128673 11.943761 2.298324 1.436426 6.960659 3.667911 4.398353 4.533849 2.308344 1.519853 3.501953 0.000000 2.776448 8.945400 2.421077 2.441083 4.191790 3.819978 4.633566 5.812805 1.532071 3.494441 2.528288 3.260286 0.000000 4.981323 11.942222 2.417639 3.663915 7.874053 4.695386 4.694628 5.414279 3.599787 1.511655 4.730461 2.569689 4.420160 0.000000 1.769258 7.716527 3.020310 3.763708 3.685398 4.563921 5.103673 6.677263 2.591029 4.328667 3.246730 4.438884 1.399039 4.992826 0.000000 4.045763 9.063754 3.551236 2.743969 3.627754 4.757050 5.765569 6.591046 2.529835 4.291035 3.500006 3.563710 1.401108 5.181777 2.383349 0.000000 2.684702 6.503600 4.344266 4.877858 2.436264 5.889974 6.467457 8.020352 3.874211 5.574581 4.512042 5.531692 2.446638 6.098579 1.393430 2.774958 0.000000 4.538835 8.080605 4.728023 4.124126 2.353245 6.036328 7.002394 7.940840 3.826445 5.538866 4.693788 4.841205 2.441968 6.251089 2.771803 1.386454 2.416647 0.000000 3.993199 6.728203 5.043597 5.012430 1.375885 6.513603 7.298531 8.571211 4.348746 6.080645 5.103469 5.689578 2.817718 6.648557 2.400329 2.398913 1.392256 1.393601 0.000000 5.739671 13.184402 3.750248 3.069311 8.735017 1.346057 2.210521 1.325200 3.300097 3.708427 2.521692 3.775439 4.700411 5.134398 5.659832 5.378154 6.950151 6.712682 7.397520 0.000000 5.802879 13.593022 4.073558 4.493367 9.815098 2.095434 1.320972 1.362686 4.272312 4.047210 3.491788 4.810840 5.708247 5.117032 6.324892 6.722431 7.699829 8.027444 8.451951 2.102396 0.000000 5.280473 4.516554 7.107118 7.374129 1.393402 8.614188 9.253728 10.748792 6.580196 8.234151 7.188652 7.994552 5.065522 8.609237 4.216318 4.787171 2.824723 3.637421 2.390257 9.609129 10.490113 0.000000 5.607563 4.023816 7.755879 8.009613 2.403643 8.893872 9.512842 11.065532 7.128591 8.990946 7.461692 8.800884 5.669151 9.498621 4.744750 5.491294 3.433361 4.424889 3.215762 9.923475 10.776113 1.390447 0.000000 5.688038 4.023670 7.532990 8.058659 2.399027 9.378140 9.902652 11.487263 7.240872 8.600805 8.004118 8.472986 5.767279 8.737961 4.830387 5.588476 3.495749 4.503032 3.273327 10.413278 11.142796 1.389658 2.424932 0.000000 6.288935 2.729851 8.735028 9.212450 3.673877 9.902825 10.396074 12.091797 8.231022 10.019982 8.505040 9.964185 6.814971 10.435624 5.738808 6.779780 4.462676 5.760512 4.481884 11.005716 11.691295 2.403263 1.392808 2.799562 0.000000 6.362164 2.729027 8.538282 9.256135 3.671058 10.342172 10.756023 12.481007 8.329704 9.671526 8.986977 9.675911 6.897944 9.747481 5.811000 6.859643 4.511864 5.821428 4.524048 11.451515 12.032173 2.402911 2.799328 1.393230 2.431570 0.000000 6.623680 1.766369 9.075654 9.760354 4.142638 10.566862 10.970740 12.746490 8.758974 10.314722 9.196471 10.343233 7.340830 10.533103 6.191694 7.356540 4.899742 6.330243 4.993642 11.707687 12.273940 2.750187 2.399209 2.399308 1.391974 1.391493 0.000000 4.999027 12.601178 2.076384 2.718260 8.294351 2.852474 2.927710 3.260355 2.829726 1.095780 3.387247 2.157522 4.221186 2.159583 5.056963 5.072627 6.379981 6.386116 6.944842 3.058452 3.127307 9.113592 9.776191 9.542151 10.792047 10.581006 11.148361 0.000000 2.748455 10.000640 2.784296 3.331626 6.316178 2.063872 2.564167 4.223116 2.180569 3.959494 1.086674 4.349009 2.751236 5.153838 2.972407 3.909087 4.200676 4.911870 5.025367 3.326945 3.799746 6.871185 7.019810 7.665096 7.942485 8.520732 8.630194 4.014399 0.000000 4.141078 10.773003 3.370896 2.581255 6.302158 2.078109 3.281366 3.971966 2.152779 4.159860 1.090305 3.939121 2.773513 5.583548 3.608563 3.365008 4.678776 4.484771 5.036597 2.730397 4.144136 7.138203 7.322499 8.099315 8.439058 9.123971 9.258348 4.204268 1.774488 0.000000 6.158917 12.998816 3.247522 2.053972 7.877614 4.026687 4.771860 4.377349 3.206108 2.199947 4.147127 1.089574 4.243613 3.119676 5.482181 4.397450 6.564497 5.670520 6.635317 3.759503 4.900314 8.972017 9.772313 9.478749 10.969415 10.708892 11.379441 2.422429 5.095014 4.467048 0.000000 5.255250 11.511905 2.755378 2.088837 6.427361 4.617705 5.342789 5.626205 2.789422 2.175300 4.204787 1.096321 3.246141 2.699811 4.353112 3.290532 5.246276 4.386302 5.251208 4.824606 5.853296 7.493389 8.429798 7.870928 9.600414 9.113100 9.888524 3.062009 4.956727 4.584010 1.793280 0.000000 6.066377 12.949782 3.366218 4.169496 8.728790 5.295288 5.304475 5.630934 4.409825 2.145058 5.504315 2.866754 5.307062 1.094004 6.001666 5.917302 7.084523 7.006876 7.526543 5.488801 5.485352 9.531951 10.466476 9.644605 11.436829 10.688750 11.522322 2.502368 6.041270 6.291809 3.048319 2.990417 0.000000 4.817716 11.232073 2.668337 3.863302 7.169458 5.316179 5.441313 6.299184 3.730073 2.154998 5.064628 2.807044 4.171915 1.093261 4.636416 4.802247 5.563482 5.699836 6.032502 5.854319 6.018971 7.888314 8.876065 7.914085 9.801081 8.937758 9.812131 3.068836 5.431419 5.853006 3.517940 2.507586 1.779406 0.000000 4.841857 11.927877 2.692009 4.403798 8.330716 4.850701 4.546214 5.539238 4.063194 2.152653 4.986304 3.500101 4.895469 1.092524 5.231879 5.852000 6.366238 6.886789 7.107078 5.425732 4.985704 8.922409 9.747081 8.988527 10.577498 9.882068 10.624559 2.488342 5.220284 5.956280 4.060201 3.727055 1.771155 1.777676 0.000000 4.912197 10.091620 3.790803 2.318877 4.487057 4.703455 5.839442 6.285347 2.689388 4.205063 3.643634 3.149466 2.139021 5.199387 3.364270 1.081845 3.856797 2.135235 3.377436 5.056216 6.626156 5.735515 6.439249 6.542393 7.763330 7.849979 8.367244 4.909658 4.306537 3.373812 3.778349 2.917811 5.772120 4.918934 6.001396 0.000000 2.779802 5.570344 5.037545 5.850577 2.713357 6.589875 7.012337 8.743680 4.738754 6.329366 5.252713 6.454440 3.418244 6.727906 2.148874 3.855951 1.081068 3.401615 2.157825 7.738442 8.291713 2.530565 2.979861 3.009985 3.744074 3.769136 4.065666 7.110685 4.757646 5.486558 7.511704 6.175673 7.754768 6.172219 6.855332 4.937794 0.000000 5.621585 8.460732 5.634835 4.728619 2.555166 6.839477 7.890493 8.634476 4.686249 6.292534 5.544550 5.399049 3.424323 6.989744 3.855009 2.156436 3.393863 1.083232 2.145754 7.376564 8.846198 3.945497 4.746768 4.815474 6.112036 6.165998 6.694670 7.140661 5.857234 5.206004 6.103079 4.857830 7.646959 6.404864 7.714473 2.476038 4.292629 0.000000 6.228688 13.358425 4.196693 2.881249 8.579692 2.131946 3.236565 2.154055 3.467668 4.080543 2.845933 3.725758 4.728178 5.552066 5.847489 5.129000 7.041006 6.441392 7.287931 1.078189 3.159998 9.562986 9.893291 10.436630 11.055567 11.546570 11.812708 3.595803 3.801589 2.683816 3.567593 4.709202 5.837121 6.172722 6.019371 4.628708 7.917931 6.972055 0.000000 6.417928 14.226990 4.809920 5.475359 10.710148 3.136493 2.101506 2.155661 5.207253 4.710368 4.479582 5.639029 6.624917 5.557359 7.137107 7.701389 8.515195 8.993357 9.349677 3.144499 1.079468 11.319752 11.597505 11.909395 12.446727 12.739815 12.979251 3.733937 4.653817 5.181442 5.694674 6.661537 5.854442 6.523195 5.253046 7.640984 9.032806 9.841501 4.173712 0.000000 5.662209 4.887860 7.694924 7.731477 2.627966 8.504595 9.206761 10.653615 6.901724 8.936225 7.071246 8.666516 5.495064 9.606582 4.715660 5.256069 3.546654 4.252024 3.241556 9.476406 10.441476 2.145790 1.083361 3.400168 2.158216 3.882551 3.389502 9.652023 6.657841 6.796383 9.588883 8.386076 10.564088 9.070988 9.895371 6.135005 3.310869 4.534255 9.386642 11.301756 0.000000 5.801571 4.887720 7.292652 7.820467 2.620349 9.378032 9.905592 11.414334 7.104610 8.229354 8.050596 8.068117 5.672014 8.232376 4.866191 5.433564 3.652134 4.394227 3.341386 10.362731 11.099897 2.144764 3.400076 1.083332 3.882750 2.158891 3.389658 9.228398 7.813850 8.206362 9.052874 7.363862 9.076991 7.330917 8.532411 6.324454 3.358037 4.660304 10.373558 11.860221 4.283497 0.000000 6.826805 2.869214 9.389867 9.844028 4.553270 10.311354 10.784019 12.494075 8.831086 10.720964 8.936507 10.688470 7.472313 11.215844 6.396983 7.480498 5.210363 6.515470 5.288633 11.419261 12.078613 3.388865 2.153694 3.882178 1.082640 3.410551 2.155125 11.429417 8.311065 8.816166 11.681514 10.400282 12.236295 10.643236 11.322840 8.445888 4.491919 6.863938 11.477893 12.819866 2.495148 4.965386 0.000000 6.945107 2.867864 9.063469 9.915796 4.549146 11.047458 11.390757 13.153167 8.992756 10.138471 9.734672 10.208702 7.605329 10.060447 6.510706 7.607871 5.284292 6.610325 5.351483 12.169517 12.656328 3.388317 3.881854 2.153952 3.410493 1.082550 2.154538 11.074234 9.268445 9.949656 11.245278 9.592950 10.974202 9.200456 10.149998 8.586100 4.528287 6.948688 12.302956 13.318777 4.965096 2.495929 4.301604 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4158942 0.0642514 0.0620154 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= 712 RedAO= T EigKep= 1.10D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 4.56D-07 NBFU= 709 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= 712 712 712 712 712 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.97496348510 -2044.97496349 1 2.038184050284e+03 -1.018371496677e+04 3.412817364171e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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. PT715S Wed Jul 7 09:04:58 2021 GINC-CIBELES2-176 PAULAPLA 07-Jul-2021 0 Wavefunction difenoconazole_RR CONF80 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2044.9749635 RMSD=7.476e-09 Dipole=-0.314332,-1.0118068,-1.8711269 Quadrupole=-11.2071665,8.917749,2.2894175,-17.284339,-5.6647464,-4.3035829 PG=C01[X(C19H17Cl2N3O3)] 0 0.0864665036 0.2117640375 1.8670997339 0 -7.5843757719 -1.435550163 1.0916677813 0 2.8835083622 -0.3551865319 0.7752294455 0 3.3929588378 0.3352877636 -1.3362842126 0 -2.7154473499 -1.032110113 -2.2317269813 0 3.7751980923 2.3696323151 0.6215778927 0 4.067968904 2.3302760107 1.9496433401 0 5.896575314 2.9008130483 0.7533278162 0 2.4461874059 0.4850685623 -0.284779985 0 4.1837634961 -0.9012573295 0.4414669885 0 2.472417871 1.9749620786 0.1162663079 0 4.1466606243 -0.8597913533 -1.0773666753 0 1.0413418077 0.0730122727 -0.7362875406 0 4.3284633267 -2.2722327502 1.0616190922 0 -0.0519358646 -0.0668052127 0.1254000562 0 0.8039061378 -0.1622918248 -2.0969339519 0 -1.3174645173 -0.4328184733 -0.32860384 0 -0.4435041544 -0.5271891292 -2.5797084561 0 -1.5065278165 -0.6623405933 -1.6887330617 0 4.8787263569 2.7050433177 -0.0723916285 0 5.3473173297 2.6581625836 1.9765818403 0 -3.8369650158 -1.1140959182 -1.4088998361 0 -4.6092153745 0.0216882069 -1.1921821783 0 -4.1925023468 -2.3456450182 -0.8722172044 0 -5.7647232324 -0.0737400664 -0.4204250595 0 -5.3479112231 -2.4478489682 -0.100417177 0 -6.1177393675 -1.3089803442 0.1154413213 0 4.9550454381 -0.2199669894 0.8179008265 0 1.7377159886 2.1798140534 0.8902884236 0 2.2409594852 2.5735034262 -0.7651756219 0 5.1265841579 -0.7471858443 -1.5402287094 0 3.6302704735 -1.7343040875 -1.4902696978 0 5.3002875632 -2.6983023418 0.7954120679 0 3.5397216904 -2.9406544322 0.7062058664 0 4.2713263975 -2.2069351388 2.150692685 0 1.6283824066 -0.0553384085 -2.7891686296 0 -2.134623553 -0.5351971865 0.3717377987 0 -0.6053844793 -0.7069838826 -3.6355783531 0 4.8885641852 2.7906863671 -1.1471292461 0 5.8977521069 2.7311130889 2.9022986735 0 -4.3071906749 0.9685193542 -1.623417286 0 -3.5706034038 -3.2130789729 -1.0577111754 0 -6.37918884 0.7998966565 -0.243507312 0 -5.6412829006 -3.3998741902 0.3232511204 Gaussian 16 7-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/octanol/CON #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octa 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6,53=25/2 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 difenoconazole_RR CONF80 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 739 A 712 A 712 1142 739 105 105 2687.7942585782 44 44 44 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 -0.0516584699 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 7.883956 0.000000 3.055660 10.528244 0.000000 4.605412 11.381243 2.279207 0.000000 5.118430 5.908822 6.391269 6.323308 0.000000 4.451344 11.989175 2.871125 2.849191 7.863948 0.000000 4.510795 12.275777 3.161314 3.902939 8.648944 1.360523 0.000000 6.498372 14.165259 4.436281 4.149276 9.927002 2.190834 2.258425 0.000000 3.205240 10.305124 1.421583 1.422839 5.721443 2.477768 3.320785 4.338049 0.000000 4.478737 11.798192 1.449225 2.305388 7.400149 3.301225 3.568026 4.181713 2.338483 0.000000 3.444858 10.664056 2.456180 2.376096 6.439682 1.452013 2.456278 3.603873 1.543149 3.362603 0.000000 5.128673 11.943761 2.298324 1.436426 6.960659 3.667911 4.398353 4.533849 2.308344 1.519853 3.501953 0.000000 2.776448 8.945400 2.421077 2.441083 4.191790 3.819978 4.633566 5.812805 1.532071 3.494441 2.528288 3.260286 0.000000 4.981323 11.942222 2.417639 3.663915 7.874053 4.695386 4.694628 5.414279 3.599787 1.511655 4.730461 2.569689 4.420160 0.000000 1.769258 7.716527 3.020310 3.763708 3.685398 4.563921 5.103673 6.677263 2.591029 4.328667 3.246730 4.438884 1.399039 4.992826 0.000000 4.045763 9.063754 3.551236 2.743969 3.627754 4.757050 5.765569 6.591046 2.529835 4.291035 3.500006 3.563710 1.401108 5.181777 2.383349 0.000000 2.684702 6.503600 4.344266 4.877858 2.436264 5.889974 6.467457 8.020352 3.874211 5.574581 4.512042 5.531692 2.446638 6.098579 1.393430 2.774958 0.000000 4.538835 8.080605 4.728023 4.124126 2.353245 6.036328 7.002394 7.940840 3.826445 5.538866 4.693788 4.841205 2.441968 6.251089 2.771803 1.386454 2.416647 0.000000 3.993199 6.728203 5.043597 5.012430 1.375885 6.513603 7.298531 8.571211 4.348746 6.080645 5.103469 5.689578 2.817718 6.648557 2.400329 2.398913 1.392256 1.393601 0.000000 5.739671 13.184402 3.750248 3.069311 8.735017 1.346057 2.210521 1.325200 3.300097 3.708427 2.521692 3.775439 4.700411 5.134398 5.659832 5.378154 6.950151 6.712682 7.397520 0.000000 5.802879 13.593022 4.073558 4.493367 9.815098 2.095434 1.320972 1.362686 4.272312 4.047210 3.491788 4.810840 5.708247 5.117032 6.324892 6.722431 7.699829 8.027444 8.451951 2.102396 0.000000 5.280473 4.516554 7.107118 7.374129 1.393402 8.614188 9.253728 10.748792 6.580196 8.234151 7.188652 7.994552 5.065522 8.609237 4.216318 4.787171 2.824723 3.637421 2.390257 9.609129 10.490113 0.000000 5.607563 4.023816 7.755879 8.009613 2.403643 8.893872 9.512842 11.065532 7.128591 8.990946 7.461692 8.800884 5.669151 9.498621 4.744750 5.491294 3.433361 4.424889 3.215762 9.923475 10.776113 1.390447 0.000000 5.688038 4.023670 7.532990 8.058659 2.399027 9.378140 9.902652 11.487263 7.240872 8.600805 8.004118 8.472986 5.767279 8.737961 4.830387 5.588476 3.495749 4.503032 3.273327 10.413278 11.142796 1.389658 2.424932 0.000000 6.288935 2.729851 8.735028 9.212450 3.673877 9.902825 10.396074 12.091797 8.231022 10.019982 8.505040 9.964185 6.814971 10.435624 5.738808 6.779780 4.462676 5.760512 4.481884 11.005716 11.691295 2.403263 1.392808 2.799562 0.000000 6.362164 2.729027 8.538282 9.256135 3.671058 10.342172 10.756023 12.481007 8.329704 9.671526 8.986977 9.675911 6.897944 9.747481 5.811000 6.859643 4.511864 5.821428 4.524048 11.451515 12.032173 2.402911 2.799328 1.393230 2.431570 0.000000 6.623680 1.766369 9.075654 9.760354 4.142638 10.566862 10.970740 12.746490 8.758974 10.314722 9.196471 10.343233 7.340830 10.533103 6.191694 7.356540 4.899742 6.330243 4.993642 11.707687 12.273940 2.750187 2.399209 2.399308 1.391974 1.391493 0.000000 4.999027 12.601178 2.076384 2.718260 8.294351 2.852474 2.927710 3.260355 2.829726 1.095780 3.387247 2.157522 4.221186 2.159583 5.056963 5.072627 6.379981 6.386116 6.944842 3.058452 3.127307 9.113592 9.776191 9.542151 10.792047 10.581006 11.148361 0.000000 2.748455 10.000640 2.784296 3.331626 6.316178 2.063872 2.564167 4.223116 2.180569 3.959494 1.086674 4.349009 2.751236 5.153838 2.972407 3.909087 4.200676 4.911870 5.025367 3.326945 3.799746 6.871185 7.019810 7.665096 7.942485 8.520732 8.630194 4.014399 0.000000 4.141078 10.773003 3.370896 2.581255 6.302158 2.078109 3.281366 3.971966 2.152779 4.159860 1.090305 3.939121 2.773513 5.583548 3.608563 3.365008 4.678776 4.484771 5.036597 2.730397 4.144136 7.138203 7.322499 8.099315 8.439058 9.123971 9.258348 4.204268 1.774488 0.000000 6.158917 12.998816 3.247522 2.053972 7.877614 4.026687 4.771860 4.377349 3.206108 2.199947 4.147127 1.089574 4.243613 3.119676 5.482181 4.397450 6.564497 5.670520 6.635317 3.759503 4.900314 8.972017 9.772313 9.478749 10.969415 10.708892 11.379441 2.422429 5.095014 4.467048 0.000000 5.255250 11.511905 2.755378 2.088837 6.427361 4.617705 5.342789 5.626205 2.789422 2.175300 4.204787 1.096321 3.246141 2.699811 4.353112 3.290532 5.246276 4.386302 5.251208 4.824606 5.853296 7.493389 8.429798 7.870928 9.600414 9.113100 9.888524 3.062009 4.956727 4.584010 1.793280 0.000000 6.066377 12.949782 3.366218 4.169496 8.728790 5.295288 5.304475 5.630934 4.409825 2.145058 5.504315 2.866754 5.307062 1.094004 6.001666 5.917302 7.084523 7.006876 7.526543 5.488801 5.485352 9.531951 10.466476 9.644605 11.436829 10.688750 11.522322 2.502368 6.041270 6.291809 3.048319 2.990417 0.000000 4.817716 11.232073 2.668337 3.863302 7.169458 5.316179 5.441313 6.299184 3.730073 2.154998 5.064628 2.807044 4.171915 1.093261 4.636416 4.802247 5.563482 5.699836 6.032502 5.854319 6.018971 7.888314 8.876065 7.914085 9.801081 8.937758 9.812131 3.068836 5.431419 5.853006 3.517940 2.507586 1.779406 0.000000 4.841857 11.927877 2.692009 4.403798 8.330716 4.850701 4.546214 5.539238 4.063194 2.152653 4.986304 3.500101 4.895469 1.092524 5.231879 5.852000 6.366238 6.886789 7.107078 5.425732 4.985704 8.922409 9.747081 8.988527 10.577498 9.882068 10.624559 2.488342 5.220284 5.956280 4.060201 3.727055 1.771155 1.777676 0.000000 4.912197 10.091620 3.790803 2.318877 4.487057 4.703455 5.839442 6.285347 2.689388 4.205063 3.643634 3.149466 2.139021 5.199387 3.364270 1.081845 3.856797 2.135235 3.377436 5.056216 6.626156 5.735515 6.439249 6.542393 7.763330 7.849979 8.367244 4.909658 4.306537 3.373812 3.778349 2.917811 5.772120 4.918934 6.001396 0.000000 2.779802 5.570344 5.037545 5.850577 2.713357 6.589875 7.012337 8.743680 4.738754 6.329366 5.252713 6.454440 3.418244 6.727906 2.148874 3.855951 1.081068 3.401615 2.157825 7.738442 8.291713 2.530565 2.979861 3.009985 3.744074 3.769136 4.065666 7.110685 4.757646 5.486558 7.511704 6.175673 7.754768 6.172219 6.855332 4.937794 0.000000 5.621585 8.460732 5.634835 4.728619 2.555166 6.839477 7.890493 8.634476 4.686249 6.292534 5.544550 5.399049 3.424323 6.989744 3.855009 2.156436 3.393863 1.083232 2.145754 7.376564 8.846198 3.945497 4.746768 4.815474 6.112036 6.165998 6.694670 7.140661 5.857234 5.206004 6.103079 4.857830 7.646959 6.404864 7.714473 2.476038 4.292629 0.000000 6.228688 13.358425 4.196693 2.881249 8.579692 2.131946 3.236565 2.154055 3.467668 4.080543 2.845933 3.725758 4.728178 5.552066 5.847489 5.129000 7.041006 6.441392 7.287931 1.078189 3.159998 9.562986 9.893291 10.436630 11.055567 11.546570 11.812708 3.595803 3.801589 2.683816 3.567593 4.709202 5.837121 6.172722 6.019371 4.628708 7.917931 6.972055 0.000000 6.417928 14.226990 4.809920 5.475359 10.710148 3.136493 2.101506 2.155661 5.207253 4.710368 4.479582 5.639029 6.624917 5.557359 7.137107 7.701389 8.515195 8.993357 9.349677 3.144499 1.079468 11.319752 11.597505 11.909395 12.446727 12.739815 12.979251 3.733937 4.653817 5.181442 5.694674 6.661537 5.854442 6.523195 5.253046 7.640984 9.032806 9.841501 4.173712 0.000000 5.662209 4.887860 7.694924 7.731477 2.627966 8.504595 9.206761 10.653615 6.901724 8.936225 7.071246 8.666516 5.495064 9.606582 4.715660 5.256069 3.546654 4.252024 3.241556 9.476406 10.441476 2.145790 1.083361 3.400168 2.158216 3.882551 3.389502 9.652023 6.657841 6.796383 9.588883 8.386076 10.564088 9.070988 9.895371 6.135005 3.310869 4.534255 9.386642 11.301756 0.000000 5.801571 4.887720 7.292652 7.820467 2.620349 9.378032 9.905592 11.414334 7.104610 8.229354 8.050596 8.068117 5.672014 8.232376 4.866191 5.433564 3.652134 4.394227 3.341386 10.362731 11.099897 2.144764 3.400076 1.083332 3.882750 2.158891 3.389658 9.228398 7.813850 8.206362 9.052874 7.363862 9.076991 7.330917 8.532411 6.324454 3.358037 4.660304 10.373558 11.860221 4.283497 0.000000 6.826805 2.869214 9.389867 9.844028 4.553270 10.311354 10.784019 12.494075 8.831086 10.720964 8.936507 10.688470 7.472313 11.215844 6.396983 7.480498 5.210363 6.515470 5.288633 11.419261 12.078613 3.388865 2.153694 3.882178 1.082640 3.410551 2.155125 11.429417 8.311065 8.816166 11.681514 10.400282 12.236295 10.643236 11.322840 8.445888 4.491919 6.863938 11.477893 12.819866 2.495148 4.965386 0.000000 6.945107 2.867864 9.063469 9.915796 4.549146 11.047458 11.390757 13.153167 8.992756 10.138471 9.734672 10.208702 7.605329 10.060447 6.510706 7.607871 5.284292 6.610325 5.351483 12.169517 12.656328 3.388317 3.881854 2.153952 3.410493 1.082550 2.154538 11.074234 9.268445 9.949656 11.245278 9.592950 10.974202 9.200456 10.149998 8.586100 4.528287 6.948688 12.302956 13.318777 4.965096 2.495929 4.301604 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4158942 0.0642514 0.0620154 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= 712 RedAO= T EigKep= 1.10D-06 NBF= 712 NBsUse= 709 1.00D-06 EigRej= 4.56D-07 NBFU= 709 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= 712 712 712 712 712 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.97496348511 -2044.97496349 1 2.038184050284e+03 -1.018371496677e+04 3.412817364171e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2830043202 LenY= 2829496342 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 4.8186 257.30 0.0498 0.000 103 106 -0.13197 103 109 -0.17829 105 106 0.62975 105 108 -0.16315 -2044.79788269 2 Singlet-A 5.0256 246.71 0.0115 0.000 101 107 0.24160 103 107 -0.10814 104 106 0.52351 104 108 0.12695 104 109 -0.10062 105 107 0.32662 3 Singlet-A 5.1216 242.08 0.0151 0.000 101 107 -0.14888 104 106 -0.28145 105 107 0.61195 4 Singlet-A 5.1672 239.94 0.0494 0.000 103 106 0.13133 103 109 0.18701 104 106 -0.13659 105 106 0.25079 105 108 0.58336 5 Singlet-A 5.4294 228.36 0.1929 0.000 103 106 0.35513 104 107 0.23260 105 109 0.53697 6 Singlet-A 5.5337 224.05 0.0011 0.000 101 107 0.17924 103 107 -0.12005 104 106 -0.27258 104 108 0.55184 104 109 -0.24441 7 Singlet-A 5.6094 221.03 0.1397 0.000 100 106 -0.12903 102 106 0.51657 102 108 -0.15354 102 109 0.14996 103 106 0.29450 104 107 -0.18799 105 109 -0.10916 8 Singlet-A 5.6189 220.65 0.4045 0.000 101 106 0.10864 102 106 -0.35307 102 109 -0.11683 103 106 0.39245 104 107 -0.29505 104 108 -0.10426 104 109 -0.12754 105 108 -0.11194 105 109 -0.13006 9 Singlet-A 5.6725 218.57 0.0126 0.000 101 106 -0.22667 103 106 0.17922 103 108 0.15413 103 109 -0.10865 104 107 0.44247 105 109 -0.30311 105 110 0.21703 105 112 0.11414 10 Singlet-A 5.6932 217.77 0.0896 0.000 101 106 0.10107 103 106 0.10387 104 107 -0.10485 104 108 0.31005 104 109 0.58101 104 110 0.11208 PT37379.600S Wed Jul 7 09:44:06 2021 GINC-CIBELES2-176 PAULAPLA 07-Jul-2021 0 Electronic spectrum difenoconazole_RR CONF80 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2044.9749635 RMSD=7.055e-09 PG=C01 [X(C19H17Cl2N3O3)] 0 0.0864665036 0.2117640375 1.8670997339 0 -7.5843757719 -1.435550163 1.0916677813 0 2.8835083622 -0.3551865319 0.7752294455 0 3.3929588378 0.3352877636 -1.3362842126 0 -2.7154473499 -1.032110113 -2.2317269813 0 3.7751980923 2.3696323151 0.6215778927 0 4.067968904 2.3302760107 1.9496433401 0 5.896575314 2.9008130483 0.7533278162 0 2.4461874059 0.4850685623 -0.284779985 0 4.1837634961 -0.9012573295 0.4414669885 0 2.472417871 1.9749620786 0.1162663079 0 4.1466606243 -0.8597913533 -1.0773666753 0 1.0413418077 0.0730122727 -0.7362875406 0 4.3284633267 -2.2722327502 1.0616190922 0 -0.0519358646 -0.0668052127 0.1254000562 0 0.8039061378 -0.1622918248 -2.0969339519 0 -1.3174645173 -0.4328184733 -0.32860384 0 -0.4435041544 -0.5271891292 -2.5797084561 0 -1.5065278165 -0.6623405933 -1.6887330617 0 4.8787263569 2.7050433177 -0.0723916285 0 5.3473173297 2.6581625836 1.9765818403 0 -3.8369650158 -1.1140959182 -1.4088998361 0 -4.6092153745 0.0216882069 -1.1921821783 0 -4.1925023468 -2.3456450182 -0.8722172044 0 -5.7647232324 -0.0737400664 -0.4204250595 0 -5.3479112231 -2.4478489682 -0.100417177 0 -6.1177393675 -1.3089803442 0.1154413213 0 4.9550454381 -0.2199669894 0.8179008265 0 1.7377159886 2.1798140534 0.8902884236 0 2.2409594852 2.5735034262 -0.7651756219 0 5.1265841579 -0.7471858443 -1.5402287094 0 3.6302704735 -1.7343040875 -1.4902696978 0 5.3002875632 -2.6983023418 0.7954120679 0 3.5397216904 -2.9406544322 0.7062058664 0 4.2713263975 -2.2069351388 2.150692685 0 1.6283824066 -0.0553384085 -2.7891686296 0 -2.134623553 -0.5351971865 0.3717377987 0 -0.6053844793 -0.7069838826 -3.6355783531 0 4.8885641852 2.7906863671 -1.1471292461 0 5.8977521069 2.7311130889 2.9022986735 0 -4.3071906749 0.9685193542 -1.623417286 0 -3.5706034038 -3.2130789729 -1.0577111754 0 -6.37918884 0.7998966565 -0.243507312 0 -5.6412829006 -3.3998741902 0.3232511204 Gaussian 16 7-Jul-2021 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 126 C1[X(C19H17Cl2N3O3)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/difenoconazole_RR/octanol/CON #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-O 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=1,70=32201,72=25,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6,53=25/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point difenoconazole_RR CONF80 octanol Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 35 35 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 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 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 14.2400000 14.2400000 5.6000000 5.6000000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 1384 A 1222 A 1222 1787 1384 105 105 2687.7942585782 44 44 44 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 -0.0516584699 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 7.883956 0.000000 3.055660 10.528244 0.000000 4.605412 11.381243 2.279207 0.000000 5.118430 5.908822 6.391269 6.323308 0.000000 4.451344 11.989175 2.871125 2.849191 7.863948 0.000000 4.510795 12.275777 3.161314 3.902939 8.648944 1.360523 0.000000 6.498372 14.165259 4.436281 4.149276 9.927002 2.190834 2.258425 0.000000 3.205240 10.305124 1.421583 1.422839 5.721443 2.477768 3.320785 4.338049 0.000000 4.478737 11.798192 1.449225 2.305388 7.400149 3.301225 3.568026 4.181713 2.338483 0.000000 3.444858 10.664056 2.456180 2.376096 6.439682 1.452013 2.456278 3.603873 1.543149 3.362603 0.000000 5.128673 11.943761 2.298324 1.436426 6.960659 3.667911 4.398353 4.533849 2.308344 1.519853 3.501953 0.000000 2.776448 8.945400 2.421077 2.441083 4.191790 3.819978 4.633566 5.812805 1.532071 3.494441 2.528288 3.260286 0.000000 4.981323 11.942222 2.417639 3.663915 7.874053 4.695386 4.694628 5.414279 3.599787 1.511655 4.730461 2.569689 4.420160 0.000000 1.769258 7.716527 3.020310 3.763708 3.685398 4.563921 5.103673 6.677263 2.591029 4.328667 3.246730 4.438884 1.399039 4.992826 0.000000 4.045763 9.063754 3.551236 2.743969 3.627754 4.757050 5.765569 6.591046 2.529835 4.291035 3.500006 3.563710 1.401108 5.181777 2.383349 0.000000 2.684702 6.503600 4.344266 4.877858 2.436264 5.889974 6.467457 8.020352 3.874211 5.574581 4.512042 5.531692 2.446638 6.098579 1.393430 2.774958 0.000000 4.538835 8.080605 4.728023 4.124126 2.353245 6.036328 7.002394 7.940840 3.826445 5.538866 4.693788 4.841205 2.441968 6.251089 2.771803 1.386454 2.416647 0.000000 3.993199 6.728203 5.043597 5.012430 1.375885 6.513603 7.298531 8.571211 4.348746 6.080645 5.103469 5.689578 2.817718 6.648557 2.400329 2.398913 1.392256 1.393601 0.000000 5.739671 13.184402 3.750248 3.069311 8.735017 1.346057 2.210521 1.325200 3.300097 3.708427 2.521692 3.775439 4.700411 5.134398 5.659832 5.378154 6.950151 6.712682 7.397520 0.000000 5.802879 13.593022 4.073558 4.493367 9.815098 2.095434 1.320972 1.362686 4.272312 4.047210 3.491788 4.810840 5.708247 5.117032 6.324892 6.722431 7.699829 8.027444 8.451951 2.102396 0.000000 5.280473 4.516554 7.107118 7.374129 1.393402 8.614188 9.253728 10.748792 6.580196 8.234151 7.188652 7.994552 5.065522 8.609237 4.216318 4.787171 2.824723 3.637421 2.390257 9.609129 10.490113 0.000000 5.607563 4.023816 7.755879 8.009613 2.403643 8.893872 9.512842 11.065532 7.128591 8.990946 7.461692 8.800884 5.669151 9.498621 4.744750 5.491294 3.433361 4.424889 3.215762 9.923475 10.776113 1.390447 0.000000 5.688038 4.023670 7.532990 8.058659 2.399027 9.378140 9.902652 11.487263 7.240872 8.600805 8.004118 8.472986 5.767279 8.737961 4.830387 5.588476 3.495749 4.503032 3.273327 10.413278 11.142796 1.389658 2.424932 0.000000 6.288935 2.729851 8.735028 9.212450 3.673877 9.902825 10.396074 12.091797 8.231022 10.019982 8.505040 9.964185 6.814971 10.435624 5.738808 6.779780 4.462676 5.760512 4.481884 11.005716 11.691295 2.403263 1.392808 2.799562 0.000000 6.362164 2.729027 8.538282 9.256135 3.671058 10.342172 10.756023 12.481007 8.329704 9.671526 8.986977 9.675911 6.897944 9.747481 5.811000 6.859643 4.511864 5.821428 4.524048 11.451515 12.032173 2.402911 2.799328 1.393230 2.431570 0.000000 6.623680 1.766369 9.075654 9.760354 4.142638 10.566862 10.970740 12.746490 8.758974 10.314722 9.196471 10.343233 7.340830 10.533103 6.191694 7.356540 4.899742 6.330243 4.993642 11.707687 12.273940 2.750187 2.399209 2.399308 1.391974 1.391493 0.000000 4.999027 12.601178 2.076384 2.718260 8.294351 2.852474 2.927710 3.260355 2.829726 1.095780 3.387247 2.157522 4.221186 2.159583 5.056963 5.072627 6.379981 6.386116 6.944842 3.058452 3.127307 9.113592 9.776191 9.542151 10.792047 10.581006 11.148361 0.000000 2.748455 10.000640 2.784296 3.331626 6.316178 2.063872 2.564167 4.223116 2.180569 3.959494 1.086674 4.349009 2.751236 5.153838 2.972407 3.909087 4.200676 4.911870 5.025367 3.326945 3.799746 6.871185 7.019810 7.665096 7.942485 8.520732 8.630194 4.014399 0.000000 4.141078 10.773003 3.370896 2.581255 6.302158 2.078109 3.281366 3.971966 2.152779 4.159860 1.090305 3.939121 2.773513 5.583548 3.608563 3.365008 4.678776 4.484771 5.036597 2.730397 4.144136 7.138203 7.322499 8.099315 8.439058 9.123971 9.258348 4.204268 1.774488 0.000000 6.158917 12.998816 3.247522 2.053972 7.877614 4.026687 4.771860 4.377349 3.206108 2.199947 4.147127 1.089574 4.243613 3.119676 5.482181 4.397450 6.564497 5.670520 6.635317 3.759503 4.900314 8.972017 9.772313 9.478749 10.969415 10.708892 11.379441 2.422429 5.095014 4.467048 0.000000 5.255250 11.511905 2.755378 2.088837 6.427361 4.617705 5.342789 5.626205 2.789422 2.175300 4.204787 1.096321 3.246141 2.699811 4.353112 3.290532 5.246276 4.386302 5.251208 4.824606 5.853296 7.493389 8.429798 7.870928 9.600414 9.113100 9.888524 3.062009 4.956727 4.584010 1.793280 0.000000 6.066377 12.949782 3.366218 4.169496 8.728790 5.295288 5.304475 5.630934 4.409825 2.145058 5.504315 2.866754 5.307062 1.094004 6.001666 5.917302 7.084523 7.006876 7.526543 5.488801 5.485352 9.531951 10.466476 9.644605 11.436829 10.688750 11.522322 2.502368 6.041270 6.291809 3.048319 2.990417 0.000000 4.817716 11.232073 2.668337 3.863302 7.169458 5.316179 5.441313 6.299184 3.730073 2.154998 5.064628 2.807044 4.171915 1.093261 4.636416 4.802247 5.563482 5.699836 6.032502 5.854319 6.018971 7.888314 8.876065 7.914085 9.801081 8.937758 9.812131 3.068836 5.431419 5.853006 3.517940 2.507586 1.779406 0.000000 4.841857 11.927877 2.692009 4.403798 8.330716 4.850701 4.546214 5.539238 4.063194 2.152653 4.986304 3.500101 4.895469 1.092524 5.231879 5.852000 6.366238 6.886789 7.107078 5.425732 4.985704 8.922409 9.747081 8.988527 10.577498 9.882068 10.624559 2.488342 5.220284 5.956280 4.060201 3.727055 1.771155 1.777676 0.000000 4.912197 10.091620 3.790803 2.318877 4.487057 4.703455 5.839442 6.285347 2.689388 4.205063 3.643634 3.149466 2.139021 5.199387 3.364270 1.081845 3.856797 2.135235 3.377436 5.056216 6.626156 5.735515 6.439249 6.542393 7.763330 7.849979 8.367244 4.909658 4.306537 3.373812 3.778349 2.917811 5.772120 4.918934 6.001396 0.000000 2.779802 5.570344 5.037545 5.850577 2.713357 6.589875 7.012337 8.743680 4.738754 6.329366 5.252713 6.454440 3.418244 6.727906 2.148874 3.855951 1.081068 3.401615 2.157825 7.738442 8.291713 2.530565 2.979861 3.009985 3.744074 3.769136 4.065666 7.110685 4.757646 5.486558 7.511704 6.175673 7.754768 6.172219 6.855332 4.937794 0.000000 5.621585 8.460732 5.634835 4.728619 2.555166 6.839477 7.890493 8.634476 4.686249 6.292534 5.544550 5.399049 3.424323 6.989744 3.855009 2.156436 3.393863 1.083232 2.145754 7.376564 8.846198 3.945497 4.746768 4.815474 6.112036 6.165998 6.694670 7.140661 5.857234 5.206004 6.103079 4.857830 7.646959 6.404864 7.714473 2.476038 4.292629 0.000000 6.228688 13.358425 4.196693 2.881249 8.579692 2.131946 3.236565 2.154055 3.467668 4.080543 2.845933 3.725758 4.728178 5.552066 5.847489 5.129000 7.041006 6.441392 7.287931 1.078189 3.159998 9.562986 9.893291 10.436630 11.055567 11.546570 11.812708 3.595803 3.801589 2.683816 3.567593 4.709202 5.837121 6.172722 6.019371 4.628708 7.917931 6.972055 0.000000 6.417928 14.226990 4.809920 5.475359 10.710148 3.136493 2.101506 2.155661 5.207253 4.710368 4.479582 5.639029 6.624917 5.557359 7.137107 7.701389 8.515195 8.993357 9.349677 3.144499 1.079468 11.319752 11.597505 11.909395 12.446727 12.739815 12.979251 3.733937 4.653817 5.181442 5.694674 6.661537 5.854442 6.523195 5.253046 7.640984 9.032806 9.841501 4.173712 0.000000 5.662209 4.887860 7.694924 7.731477 2.627966 8.504595 9.206761 10.653615 6.901724 8.936225 7.071246 8.666516 5.495064 9.606582 4.715660 5.256069 3.546654 4.252024 3.241556 9.476406 10.441476 2.145790 1.083361 3.400168 2.158216 3.882551 3.389502 9.652023 6.657841 6.796383 9.588883 8.386076 10.564088 9.070988 9.895371 6.135005 3.310869 4.534255 9.386642 11.301756 0.000000 5.801571 4.887720 7.292652 7.820467 2.620349 9.378032 9.905592 11.414334 7.104610 8.229354 8.050596 8.068117 5.672014 8.232376 4.866191 5.433564 3.652134 4.394227 3.341386 10.362731 11.099897 2.144764 3.400076 1.083332 3.882750 2.158891 3.389658 9.228398 7.813850 8.206362 9.052874 7.363862 9.076991 7.330917 8.532411 6.324454 3.358037 4.660304 10.373558 11.860221 4.283497 0.000000 6.826805 2.869214 9.389867 9.844028 4.553270 10.311354 10.784019 12.494075 8.831086 10.720964 8.936507 10.688470 7.472313 11.215844 6.396983 7.480498 5.210363 6.515470 5.288633 11.419261 12.078613 3.388865 2.153694 3.882178 1.082640 3.410551 2.155125 11.429417 8.311065 8.816166 11.681514 10.400282 12.236295 10.643236 11.322840 8.445888 4.491919 6.863938 11.477893 12.819866 2.495148 4.965386 0.000000 6.945107 2.867864 9.063469 9.915796 4.549146 11.047458 11.390757 13.153167 8.992756 10.138471 9.734672 10.208702 7.605329 10.060447 6.510706 7.607871 5.284292 6.610325 5.351483 12.169517 12.656328 3.388317 3.881854 2.153952 3.410493 1.082550 2.154538 11.074234 9.268445 9.949656 11.245278 9.592950 10.974202 9.200456 10.149998 8.586100 4.528287 6.948688 12.302956 13.318777 4.965096 2.495929 4.301604 0.000000 C19H17Cl2N3O3 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 389.12759999999975 AuxInfo=1/0/N:14,25,26,23,24,18,16,17,12,11,21,20,10,27,22,19,13,15,9,2,1,8,7,6,4,5,3/E:(2,3)(4,5)/CRV:2.3,3.3,4.3,5.3,6.3,7.3,8.3,11.3,12.3,14.3,15.3,16.3,17.3,18.3,22.2,23.2/rA:44ClClOOONN2N2CCCCC3CC3C3C3C3C3C3C3C3C3C3C3C3C3HHHHHHHHHHHHHHHHH/rB:;;;;;s6;;s3s4;s3;s6s9;s4s10;s9;s10;s1s13;s13;s15;s16;s5s17s18;s6s8;s7s8;s5;s22;s22;s23;s24;s2s25s26;s10;s11;s11;s12;s12;s14;s14;s14;s16;s17;s18;s20;s21;s23;s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4158942 0.0642514 0.0620154 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= 1222 RedAO= T EigKep= 1.07D-06 NBF= 1222 NBsUse= 1217 1.00D-06 EigRej= 8.33D-07 NBFU= 1217 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= 1325 1325 1325 1325 1325 MxSgAt= 44 MxSgA2= 44. 1 Closed 1 1 1 -2044.97982818301 -2045.06307096687 -0.083242783854 -2045.06298269500 0.000088271872 -2045.06361595656 -0.000633261568 -2045.06366931641 -0.000053359845 -2045.06367625965 -0.000006943242 -2045.06367688353 -0.000000623880 -2045.06367692684 -0.000000043310 -2045.06367693390 -0.000000007063 -2045.06367693408 -0.000000000175 -2045.06367693414 -0.000000000066 -2045.06367693427 -0.000000000130 -2045.06367693 12 2.037765461080e+03 -1.018385059740e+04 3.413282870556e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 2831155200 LenX= 2827289734 LenY= 2825372894 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. PT30854.200S Wed Jul 7 10:16:20 2021 GINC-CIBELES2-176 PAULAPLA 07-Jul-2021 0 Single Point difenoconazole_RR CONF80 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-2045.0636769 RMSD=5.109e-09 Dipole=-0.3274399,-0.9939115,-1.8890957 Quadrupole=-11.53506,8.8838634,2.6511966,-16.8744285,-5.2631504,-4.2380756 PG=C01 [X(C19H17Cl2N3O3)] 0 0.0864665036 0.2117640375 1.8670997339 0 -7.5843757719 -1.435550163 1.0916677813 0 2.8835083622 -0.3551865319 0.7752294455 0 3.3929588378 0.3352877636 -1.3362842126 0 -2.7154473499 -1.032110113 -2.2317269813 0 3.7751980923 2.3696323151 0.6215778927 0 4.067968904 2.3302760107 1.9496433401 0 5.896575314 2.9008130483 0.7533278162 0 2.4461874059 0.4850685623 -0.284779985 0 4.1837634961 -0.9012573295 0.4414669885 0 2.472417871 1.9749620786 0.1162663079 0 4.1466606243 -0.8597913533 -1.0773666753 0 1.0413418077 0.0730122727 -0.7362875406 0 4.3284633267 -2.2722327502 1.0616190922 0 -0.0519358646 -0.0668052127 0.1254000562 0 0.8039061378 -0.1622918248 -2.0969339519 0 -1.3174645173 -0.4328184733 -0.32860384 0 -0.4435041544 -0.5271891292 -2.5797084561 0 -1.5065278165 -0.6623405933 -1.6887330617 0 4.8787263569 2.7050433177 -0.0723916285 0 5.3473173297 2.6581625836 1.9765818403 0 -3.8369650158 -1.1140959182 -1.4088998361 0 -4.6092153745 0.0216882069 -1.1921821783 0 -4.1925023468 -2.3456450182 -0.8722172044 0 -5.7647232324 -0.0737400664 -0.4204250595 0 -5.3479112231 -2.4478489682 -0.100417177 0 -6.1177393675 -1.3089803442 0.1154413213 0 4.9550454381 -0.2199669894 0.8179008265 0 1.7377159886 2.1798140534 0.8902884236 0 2.2409594852 2.5735034262 -0.7651756219 0 5.1265841579 -0.7471858443 -1.5402287094 0 3.6302704735 -1.7343040875 -1.4902696978 0 5.3002875632 -2.6983023418 0.7954120679 0 3.5397216904 -2.9406544322 0.7062058664 0 4.2713263975 -2.2069351388 2.150692685 0 1.6283824066 -0.0553384085 -2.7891686296 0 -2.134623553 -0.5351971865 0.3717377987 0 -0.6053844793 -0.7069838826 -3.6355783531 0 4.8885641852 2.7906863671 -1.1471292461 0 5.8977521069 2.7311130889 2.9022986735 0 -4.3071906749 0.9685193542 -1.623417286 0 -3.5706034038 -3.2130789729 -1.0577111754 0 -6.37918884 0.7998966565 -0.243507312 0 -5.6412829006 -3.3998741902 0.3232511204