Gaussian 16 GINC-BELVIS10 PAULAPLA Optimization pefurazoate CONF589 octanol EM64L-G16RevC.01 11-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 48 48 92 92 688 (5D, 7F) 6-311+G(d,p) 138 138 C1[X(C18H23N3O4)] C1[X(C18H23N3O4)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 322.2102999999998 0 1 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/paulapla/opt-b3lyp-pople.com-3048749/Gau-25039.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-3048749/" chk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/octanol/CONF589/opt- #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 pefurazoate CONF589 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 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 -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 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3186 1.4357 1.3498 1.3499 1.2034 1.2104 1.4599 1.4626 1.3499 1.4195 1.3759 1.3659 1.2978 1.3709 1.5261 1.5267 1.0907 1.5203 1.0919 1.0914 1.4852 1.0896 1.0895 1.0921 1.091 1.09 1.3546 1.5117 1.0925 1.0929 1.5287 1.0931 1.0934 1.4288 1.0784 1.4947 1.0959 1.0933 1.3577 1.0768 1.0785 1.352 1.0779 1.0783 1.0785 1.3273 1.0874 1.0828 1.0844 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 118.0628 107.6001 116.5063 125.2915 117.2774 124.0088 128.1165 106.8624 105.9102 112.6566 109.7257 108.8602 112.3954 106.8581 106.0324 112.2378 111.4731 107.3473 110.1208 109.3974 106.0173 112.2634 109.2608 109.5455 111.1116 108.4169 106.0409 124.4945 111.3504 124.1387 124.8584 118.8475 116.2941 111.734 112.4624 110.2428 108.0188 107.2434 106.8815 117.5196 109.9528 132.5251 108.0626 109.2665 109.5403 110.7297 111.0779 108.1455 110.6047 110.1987 109.4688 109.7416 109.4908 107.2711 106.2377 126.2884 127.4716 111.9986 108.6708 110.3013 108.9256 110.0714 106.7101 105.2879 122.514 132.1804 111.4192 122.3878 126.1723 105.9225 127.5515 126.5233 110.2843 116.7026 133.0121 110.4918 121.8389 127.6692 125.1747 115.8486 118.9761 121.4806 121.9444 116.5749 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 15 15 11 11 11 22 22 14 14 10 10 10 12 12 12 8 8 8 12 12 12 8 8 10 10 19 19 20 20 12 12 20 20 12 12 19 19 23 23 20 20 5 5 5 11 11 11 26 26 26 5 5 9 9 26 26 8 8 8 27 27 27 28 28 28 5 5 29 29 30 30 2 2 10 10 1 1 1 34 34 34 35 35 35 15 15 15 36 36 36 37 37 37 14 14 38 38 16 16 39 39 40 40 6 6 41 41 17 17 43 43 18 18 46 46 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 21 21 21 21 24 24 24 24 11 11 15 15 15 14 14 22 22 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 23 23 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 21 21 21 21 24 24 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 25 3 8 16 34 35 10 17 21 44 9 11 26 9 11 26 14 29 30 14 29 30 4 6 4 6 4 5 4 5 23 41 23 41 7 42 7 42 6 42 19 45 13 27 28 13 27 28 13 27 28 1 3 1 3 1 3 31 32 33 31 32 33 31 32 33 2 17 2 17 2 17 21 38 21 38 18 36 37 18 36 37 18 36 37 24 39 40 24 39 40 24 39 40 22 43 22 43 25 46 25 46 25 46 7 45 7 45 2 44 2 44 47 48 47 48 3.5564 -177.8662 176.4618 55.9051 -62.3973 -179.8583 -0.3633 0.5292 -179.7699 -67.2949 58.7389 174.367 101.3551 -132.6111 -16.983 -91.8588 144.4079 28.6445 98.5536 -25.1797 -140.9432 -159.7434 20.3306 8.8278 -171.0982 41.6048 -138.4645 -125.3383 54.5924 -170.9643 10.3942 -1.668 179.6905 169.9393 -8.5006 1.2243 -177.2156 -0.2371 178.1309 -0.8715 179.0137 -58.3925 65.6769 -178.6324 177.0254 -58.9053 56.7855 61.1131 -174.8175 -59.1267 59.0575 -122.3591 -174.7602 3.8232 -58.3517 120.2317 -54.6676 67.0109 -173.8199 -179.4859 -57.8073 61.3618 64.3756 -173.9458 -54.7767 -58.6976 121.9466 63.9963 -115.3596 -179.8513 0.7928 0.0714 179.5587 179.4636 -1.049 -173.6243 64.8533 -52.895 -53.9864 -175.5087 66.7429 66.1947 -55.3277 -173.076 176.6966 56.315 -60.3395 -61.5116 178.1067 61.4522 55.9804 -64.4012 178.9443 0.2447 179.6711 -179.2346 0.1918 120.1127 -59.6046 -119.654 60.6286 -2.9811 177.3016 1.5907 -178.2861 -179.9552 0.168 -0.4769 179.8885 -179.911 0.4544 -179.9724 0.1878 -0.2632 179.8971 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 713 A 688 A 1084 713 2342.2855913383 48 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= 688 RedAO= T EigKep= 1.03D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 Berny optimization. local minimum Step number 58 out of a maximum of 258 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00201 0.00269 0.00345 0.00389 0.00469 0.00551 0.00724 0.00791 0.01017 0.01427 0.01535 0.01641 0.01760 0.01825 0.02045 0.02282 0.02317 0.02386 0.02427 0.02488 0.02624 0.02652 0.02717 0.03020 0.03056 0.03066 0.03137 0.03728 0.03833 0.04034 0.04217 0.04596 0.04669 0.04973 0.05057 0.05213 0.05391 0.05406 0.05520 0.05557 0.05721 0.05926 0.06254 0.06690 0.07244 0.08102 0.08415 0.09333 0.09606 0.10679 0.11248 0.12092 0.12336 0.12738 0.13498 0.14088 0.14824 0.15523 0.15803 0.15931 0.15963 0.15995 0.15998 0.16003 0.16012 0.16030 0.16110 0.16250 0.19868 0.21058 0.21407 0.21922 0.22006 0.22178 0.22391 0.22949 0.23099 0.23342 0.24097 0.24413 0.24689 0.24948 0.25335 0.25593 0.26514 0.28178 0.29710 0.29760 0.30649 0.30864 0.31690 0.32641 0.33016 0.33177 0.34064 0.34380 0.34444 0.34464 0.34492 0.34551 0.34583 0.34686 0.34704 0.34873 0.34875 0.34925 0.35100 0.35168 0.35442 0.35517 0.35663 0.36084 0.36180 0.36237 0.36244 0.36281 0.36352 0.36394 0.36776 0.39008 0.40826 0.44068 0.45566 0.46588 0.47292 0.47478 0.50194 0.50973 0.52862 0.54502 0.55058 0.60308 0.60477 0.63765 0.64792 0.70498 0.94723 1.02329 -7.13787481e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 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 A81 A82 A83 A84 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 2.51305 2.75675 2.59518 2.58167 2.29299 2.31126 2.79035 2.80602 2.56709 2.70759 2.62434 2.60577 2.47513 2.62093 2.90496 2.89783 2.06172 2.88765 2.06509 2.06302 2.80729 2.05562 2.06135 2.06882 2.06673 2.06572 2.57110 2.86308 2.06255 2.06483 2.90573 2.06833 2.06749 2.71220 2.03849 2.83788 2.07544 2.06985 2.57594 2.03487 2.03702 2.56645 2.03918 2.03702 2.03910 2.51774 2.05979 2.05163 2.05466 2.04954 1.87105 2.05083 2.15389 2.02913 2.15779 2.24823 1.86406 1.84855 1.96844 1.97511 1.87232 1.95481 1.86345 1.81745 1.95947 1.92466 1.86333 1.93708 1.91997 1.85499 1.97835 1.86920 1.91822 1.91218 1.90660 1.87638 2.16747 1.96078 2.15229 2.18122 2.06781 2.03402 1.93824 1.95611 1.92543 1.88077 1.88252 1.87799 2.04008 1.91304 2.33006 1.86925 1.88804 1.89221 1.95384 1.95745 1.90068 1.94064 1.91235 1.90078 1.91715 1.91806 1.87357 1.86239 2.19649 2.22423 1.95563 1.89402 1.92157 1.90203 1.92032 1.86787 1.84212 2.12084 2.32017 1.94231 2.12528 2.21541 1.85336 2.22424 2.20559 1.92491 2.02642 2.33181 1.92733 2.12259 2.23327 2.18610 2.01769 2.07934 2.12244 2.12172 2.03902 0.03921 3.10493 3.08681 0.97782 -1.08076 3.13812 -0.00707 0.00686 3.13997 -0.92622 1.31549 -2.97313 1.87015 -2.17132 -0.17675 -1.06070 3.11148 1.07823 2.40134 0.29034 -1.74291 -2.67065 0.48945 0.12965 -2.99343 0.64629 -2.51256 -2.29849 0.82585 -3.00829 0.14314 -0.02654 3.12489 2.99051 -0.13158 0.01983 -3.10227 -0.00448 3.11638 -0.01312 3.12831 -1.00009 1.16975 -3.10541 3.03086 -1.08248 0.92554 1.05204 -3.06130 -1.05328 0.60178 -2.61492 2.85052 -0.36618 -1.42555 1.64094 -0.99824 1.10638 -3.08454 3.12200 -1.05656 1.03570 1.07405 -3.10451 -1.01225 -1.37706 1.76920 0.70952 -2.42740 2.76076 -0.37616 0.00461 3.13408 -3.14140 -0.01194 -3.06981 1.09078 -0.95380 -1.00309 -3.12568 1.11293 1.13950 -0.98309 -3.02766 3.09596 0.99496 -1.04405 -1.06743 3.11476 1.07574 0.99010 -1.11090 3.13327 -0.00040 3.13901 -3.12961 0.00980 2.09762 -1.03241 -2.08923 1.06392 -0.04627 3.10689 0.02483 -3.11659 -3.12821 0.01355 -0.00400 -3.13509 3.13974 0.00866 -3.13625 0.00692 -0.00660 3.13657 -0.00001 0.00003 -0.00001 0.00001 0.00001 -0.00003 -0.00001 -0.00001 0.00003 0.00002 -0.00001 0.00000 0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00002 -0.00002 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00002 -0.00001 -0.00000 0.00000 0.00001 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 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 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 0.00001 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 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00003 0.00004 -0.00005 -0.00002 -0.00002 -0.00001 -0.00007 -0.00001 -0.00001 -0.00000 0.00001 0.00001 0.00002 0.00002 0.00000 0.00000 0.00001 0.00000 0.00002 -0.00001 -0.00002 -0.00001 0.00004 0.00000 0.00004 0.00002 0.00004 -0.00002 -0.00001 0.00001 0.00002 -0.00000 0.00002 0.00003 0.00000 -0.00000 0.00001 0.00000 0.00004 0.00000 -0.00000 0.00004 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00001 0.00001 0.00003 -0.00005 -0.00005 0.00010 0.00004 -0.00006 0.00002 -0.00001 -0.00002 0.00000 0.00001 0.00011 0.00000 -0.00012 -0.00005 0.00011 -0.00001 -0.00002 0.00002 -0.00005 0.00005 0.00006 -0.00008 -0.00000 0.00002 -0.00005 0.00001 0.00000 -0.00002 0.00005 -0.00001 -0.00004 -0.00002 0.00008 -0.00002 -0.00001 -0.00000 -0.00002 -0.00005 0.00001 0.00004 -0.00004 -0.00001 -0.00002 0.00003 0.00002 0.00000 -0.00003 0.00002 0.00002 0.00000 -0.00001 0.00000 -0.00002 0.00003 -0.00001 0.00000 -0.00000 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 -0.00002 -0.00002 0.00004 -0.00000 -0.00002 0.00002 0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00014 -0.00014 -0.00000 -0.00001 -0.00001 0.00008 -0.00004 -0.00011 0.00002 -0.00008 0.00006 -0.00008 -0.00005 0.00009 -0.00005 0.00008 0.00001 0.00008 0.00008 0.00001 0.00008 -0.00001 0.00009 -0.00001 0.00010 0.00029 0.00019 0.00025 0.00015 0.00012 0.00006 0.00014 0.00008 -0.00012 -0.00005 -0.00015 -0.00008 0.00010 0.00002 -0.00001 -0.00005 0.00003 0.00005 0.00004 -0.00006 -0.00004 -0.00005 0.00003 0.00006 0.00004 0.00004 0.00004 0.00011 0.00011 0.00010 0.00010 -0.00009 -0.00007 -0.00006 -0.00018 -0.00016 -0.00015 -0.00011 -0.00009 -0.00009 -0.00030 -0.00014 -0.00019 -0.00003 -0.00024 -0.00009 0.00016 0.00002 0.00001 -0.00013 -0.00024 -0.00024 -0.00027 -0.00026 -0.00025 -0.00028 -0.00021 -0.00021 -0.00024 -0.00002 -0.00002 -0.00001 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00022 -0.00007 -0.00008 0.00007 -0.00004 -0.00003 -0.00004 -0.00004 -0.00006 -0.00005 -0.00008 -0.00003 -0.00001 0.00003 0.00020 0.00004 0.00006 -0.00010 -0.00001 -0.00001 -0.00002 -0.00002 -0.00000 0.00006 0.00002 0.00002 0.00004 -0.00001 0.00004 -0.00003 0.00003 0.00006 -0.00002 -0.00001 0.00001 -0.00001 -0.00001 -0.00002 0.00001 0.00001 -0.00002 0.00002 -0.00001 0.00003 -0.00002 -0.00001 -0.00004 -0.00001 -0.00003 -0.00001 0.00000 -0.00001 0.00002 -0.00000 -0.00001 -0.00003 -0.00001 0.00000 -0.00001 -0.00001 -0.00002 0.00000 -0.00000 -0.00003 0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00006 0.00001 0.00003 0.00006 -0.00007 0.00005 -0.00005 -0.00000 0.00000 0.00002 -0.00003 -0.00003 -0.00004 0.00002 0.00006 0.00004 0.00001 -0.00003 -0.00003 -0.00002 0.00004 -0.00000 -0.00018 0.00009 0.00006 -0.00000 0.00002 -0.00001 0.00004 -0.00003 -0.00006 0.00003 0.00004 -0.00001 -0.00002 0.00001 0.00003 0.00001 -0.00002 -0.00001 -0.00002 0.00003 -0.00001 -0.00007 0.00000 0.00002 0.00002 0.00004 0.00006 -0.00006 0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00002 -0.00004 -0.00001 0.00000 -0.00001 0.00002 -0.00001 0.00001 0.00002 -0.00002 0.00000 -0.00001 -0.00003 0.00004 0.00003 -0.00003 0.00001 -0.00003 0.00001 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00014 0.00011 0.00026 0.00028 0.00028 -0.00007 0.00008 -0.00011 -0.00007 -0.00007 -0.00013 -0.00009 -0.00005 -0.00011 -0.00007 -0.00000 0.00004 0.00006 -0.00004 0.00000 0.00002 -0.00008 -0.00002 -0.00004 0.00002 0.00013 0.00007 0.00018 0.00012 0.00005 0.00005 0.00000 0.00000 -0.00005 -0.00018 -0.00001 -0.00014 0.00001 0.00015 -0.00001 0.00003 0.00001 -0.00001 0.00003 0.00006 0.00004 0.00008 -0.00000 -0.00001 0.00002 -0.00005 -0.00009 -0.00008 -0.00011 -0.00004 -0.00007 -0.00005 -0.00003 -0.00006 -0.00006 -0.00004 -0.00007 -0.00008 -0.00006 -0.00009 0.00023 0.00004 0.00005 -0.00015 0.00011 -0.00008 -0.00002 -0.00003 0.00017 0.00015 0.00003 0.00004 0.00007 -0.00006 -0.00004 -0.00002 0.00002 0.00003 0.00006 -0.00008 -0.00010 -0.00011 -0.00012 -0.00014 -0.00015 -0.00013 -0.00015 -0.00016 -0.00004 0.00002 -0.00003 0.00003 -0.00001 0.00000 0.00001 0.00001 0.00003 0.00004 0.00000 -0.00004 0.00000 -0.00004 0.00009 0.00005 0.00003 -0.00001 0.00002 -0.00000 0.00001 -0.00001 -0.00003 0.00009 -0.00003 -0.00000 0.00001 -0.00002 -0.00003 -0.00004 0.00002 0.00005 -0.00002 -0.00000 0.00003 0.00001 -0.00000 -0.00002 0.00002 0.00001 -0.00000 0.00001 -0.00003 0.00001 0.00002 -0.00000 -0.00000 0.00000 0.00002 -0.00003 -0.00001 -0.00000 0.00004 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00002 0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 0.00000 -0.00005 0.00003 -0.00002 0.00001 0.00003 0.00009 -0.00011 0.00001 -0.00000 0.00000 -0.00002 -0.00002 0.00008 0.00002 -0.00007 -0.00002 0.00012 -0.00004 -0.00005 0.00000 -0.00001 0.00004 -0.00011 0.00001 0.00006 0.00002 -0.00003 0.00000 0.00005 -0.00005 -0.00002 0.00002 -0.00001 -0.00003 0.00005 -0.00001 0.00002 0.00001 -0.00004 -0.00006 -0.00001 0.00007 -0.00005 -0.00008 -0.00001 0.00005 0.00004 0.00004 0.00003 -0.00004 0.00002 -0.00001 -0.00001 0.00000 -0.00000 0.00005 -0.00005 -0.00001 0.00000 -0.00000 0.00002 -0.00001 0.00000 0.00001 -0.00001 0.00000 -0.00001 -0.00004 0.00004 0.00001 -0.00005 0.00004 -0.00003 -0.00001 0.00004 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00002 -0.00000 0.00001 -0.00001 0.00000 -0.00003 0.00026 0.00027 0.00027 0.00001 0.00004 -0.00021 -0.00005 -0.00015 -0.00006 -0.00017 -0.00010 -0.00001 -0.00012 0.00008 0.00005 0.00015 0.00003 0.00001 0.00010 -0.00009 0.00007 -0.00005 0.00012 0.00041 0.00026 0.00043 0.00028 0.00017 0.00011 0.00014 0.00008 -0.00017 -0.00023 -0.00016 -0.00022 0.00011 0.00018 -0.00002 -0.00003 0.00004 0.00004 0.00007 -0.00000 0.00001 0.00003 0.00003 0.00004 0.00006 -0.00002 -0.00005 0.00003 0.00000 0.00005 0.00002 -0.00014 -0.00010 -0.00012 -0.00024 -0.00020 -0.00022 -0.00019 -0.00015 -0.00018 -0.00007 -0.00011 -0.00014 -0.00018 -0.00013 -0.00017 0.00014 -0.00001 0.00018 0.00003 -0.00022 -0.00020 -0.00020 -0.00031 -0.00030 -0.00030 -0.00019 -0.00018 -0.00017 -0.00010 -0.00012 -0.00012 -0.00013 -0.00015 -0.00015 -0.00014 -0.00016 -0.00016 -0.00026 -0.00006 -0.00011 0.00010 -0.00005 -0.00003 -0.00004 -0.00002 -0.00003 -0.00001 -0.00008 -0.00007 -0.00001 -0.00000 0.00030 0.00009 0.00009 -0.00011 0.00001 -0.00001 -0.00001 -0.00003 2.51301 2.75685 2.59515 2.58167 2.29301 2.31124 2.79032 2.80598 2.56712 2.70765 2.62432 2.60577 2.47516 2.62094 2.90496 2.89781 2.06174 2.88767 2.06509 2.06303 2.80726 2.05564 2.06137 2.06881 2.06672 2.06573 2.57112 2.86305 2.06254 2.06483 2.90577 2.06832 2.06749 2.71221 2.03848 2.83788 2.07544 2.06984 2.57595 2.03487 2.03702 2.56646 2.03917 2.03702 2.03910 2.51774 2.05979 2.05163 2.05467 2.04949 1.87108 2.05080 2.15390 2.02916 2.15788 2.24812 1.86407 1.84855 1.96844 1.97508 1.87230 1.95489 1.86347 1.81738 1.95945 1.92478 1.86330 1.93703 1.91997 1.85498 1.97839 1.86908 1.91823 1.91224 1.90662 1.87635 2.16748 1.96083 2.15224 2.18120 2.06783 2.03401 1.93821 1.95616 1.92543 1.88079 1.88252 1.87795 2.04002 1.91303 2.33013 1.86921 1.88797 1.89219 1.95389 1.95749 1.90072 1.94067 1.91232 1.90080 1.91714 1.91805 1.87357 1.86239 2.19654 2.22418 1.95562 1.89403 1.92157 1.90205 1.92030 1.86788 1.84213 2.12083 2.32017 1.94230 2.12525 2.21545 1.85337 2.22419 2.20563 1.92489 2.02641 2.33185 1.92732 2.12260 2.23326 2.18610 2.01770 2.07932 2.12244 2.12172 2.03902 0.03921 3.10490 3.08707 0.97809 -1.08049 3.13813 -0.00703 0.00664 3.13992 -0.92638 1.31543 -2.97330 1.87005 -2.17133 -0.17687 -1.06063 3.11154 1.07838 2.40138 0.29035 -1.74280 -2.67074 0.48953 0.12960 -2.99331 0.64670 -2.51230 -2.29805 0.82613 -3.00811 0.14326 -0.02639 3.12497 2.99034 -0.13182 0.01966 -3.10250 -0.00437 3.11655 -0.01314 3.12829 -1.00005 1.16980 -3.10534 3.03086 -1.08248 0.92557 1.05208 -3.06126 -1.05321 0.60176 -2.61497 2.85055 -0.36618 -1.42550 1.64096 -0.99837 1.10628 -3.08466 3.12176 -1.05676 1.03547 1.07386 -3.10467 -1.01243 -1.37713 1.76910 0.70938 -2.42758 2.76063 -0.37633 0.00475 3.13406 -3.14123 -0.01192 -3.07003 1.09058 -0.95399 -1.00340 -3.12598 1.11263 1.13931 -0.98327 -3.02784 3.09586 0.99485 -1.04418 -1.06756 3.11461 1.07559 0.98996 -1.11106 3.13311 -0.00066 3.13896 -3.12972 0.00990 2.09757 -1.03245 -2.08927 1.06390 -0.04630 3.10687 0.02476 -3.11666 -3.12822 0.01355 -0.00371 -3.13500 3.13983 0.00855 -3.13625 0.00691 -0.00661 3.13655 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000027 0.000006 0.001476 0.000303 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -3.336436e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 R47 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3298 1.4588 1.3733 1.3662 1.2134 1.2231 1.4766 1.4849 1.3584 1.4328 1.3887 1.3789 1.3098 1.3869 1.5372 1.5335 1.091 1.5281 1.0928 1.0917 1.4856 1.0878 1.0908 1.0948 1.0937 1.0931 1.3606 1.5151 1.0915 1.0927 1.5376 1.0945 1.0941 1.4352 1.0787 1.5017 1.0983 1.0953 1.3631 1.0768 1.0779 1.3581 1.0791 1.0779 1.079 1.3323 1.09 1.0857 1.0873 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 117.4301 107.2031 117.5037 123.4089 116.2608 123.6322 128.8138 106.8029 105.9142 112.7833 113.1652 107.2761 112.0026 106.7678 104.1324 112.2694 110.2751 106.7612 110.9864 110.006 106.2831 113.3512 107.0972 109.9061 109.5596 109.2399 107.5088 124.1871 112.3444 123.3174 124.9745 118.4765 116.5408 111.0529 112.0766 110.3193 107.7601 107.8604 107.6012 116.8879 109.6093 133.5024 107.1003 108.177 108.4156 111.947 112.1535 108.9011 111.1903 109.5697 108.9064 109.8444 109.897 107.3476 106.7071 125.8497 127.439 112.0493 108.5194 110.0981 108.9782 110.026 107.0211 105.5458 121.5154 132.9357 111.2861 121.7696 126.9335 106.1895 127.4397 126.3707 110.2894 116.1055 133.6027 110.4276 121.6156 127.9568 125.2544 115.6051 119.1372 121.6071 121.5653 116.8275 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 15 15 11 11 11 22 22 14 14 10 10 10 12 12 12 8 8 8 12 12 12 8 8 10 10 19 19 20 20 12 12 20 20 12 12 19 19 23 23 20 20 5 5 5 11 11 11 26 26 26 5 5 9 9 26 26 8 8 8 27 27 27 28 28 28 5 5 29 29 30 30 2 2 10 10 1 1 1 34 34 34 35 35 35 15 15 15 36 36 36 37 37 37 14 14 38 38 16 16 39 39 40 40 6 6 41 41 17 17 43 43 18 18 46 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 21 21 21 21 24 24 24 11 11 15 15 15 14 14 22 22 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 23 23 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 21 21 21 21 24 24 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 3 8 16 34 35 10 17 21 44 9 11 26 9 11 26 14 29 30 14 29 30 4 6 4 6 4 5 4 5 23 41 23 41 7 42 7 42 6 42 19 45 13 27 28 13 27 28 13 27 28 1 3 1 3 1 3 31 32 33 31 32 33 31 32 33 2 17 2 17 2 17 21 38 21 38 18 36 37 18 36 37 18 36 37 24 39 40 24 39 40 24 39 40 22 43 22 43 25 46 25 46 25 46 7 45 7 45 2 44 2 44 47 48 47 2.2464 177.8992 176.8613 56.0251 -61.9232 179.801 -0.4052 0.3928 179.9073 -53.0688 75.3723 -170.3476 107.1516 -124.4073 -10.1272 -60.7739 178.2748 61.7782 137.5867 16.6354 -99.8612 -153.0171 28.0437 7.4285 -171.5107 37.0297 -143.9591 -131.6936 47.3176 -172.3621 8.2015 -1.5204 179.0431 171.3437 -7.5392 1.136 -177.747 -0.2567 178.5552 -0.7518 179.2392 -57.3009 67.0219 -177.927 173.6554 -62.0218 53.0293 60.2777 -175.3994 -60.3483 34.4792 -149.824 163.3226 -20.9806 -81.678 94.0188 -57.1947 63.391 -176.7312 178.8776 -60.5367 59.3412 61.5388 -177.8755 -57.9976 -78.8999 101.3679 40.6526 -139.0796 158.1796 -21.5526 0.2644 179.5694 -179.9892 -0.6842 -175.8873 62.4969 -54.6484 -57.4727 -179.0885 63.7662 65.2887 -56.3271 -173.4724 177.3854 57.0072 -59.8198 -61.1591 178.4626 61.6356 56.7284 -63.6498 179.5232 -0.0227 179.8522 -179.3132 0.5617 120.1846 -59.1529 -119.7043 60.9583 -2.651 178.0115 1.4229 -178.5674 -179.2333 0.7764 -0.2294 -179.6273 179.894 0.4961 -179.6941 0.3964 -0.3781 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0580419926 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.382550 0.000000 2.232582 4.591537 0.000000 4.697477 3.411737 5.666855 0.000000 2.812236 2.944944 3.406990 2.270457 0.000000 3.866944 4.301081 5.107849 2.266717 2.352671 0.000000 4.546554 5.776054 6.109260 4.335141 4.260862 2.201093 0.000000 2.352750 3.982109 2.416844 3.598714 1.459867 2.856587 4.261049 0.000000 3.694534 5.140237 2.815373 4.353549 2.485305 3.860521 5.327241 1.526133 0.000000 3.400471 2.424903 3.581047 2.734880 1.462556 3.687223 5.649566 2.485174 3.092911 0.000000 1.318637 3.829353 1.203425 4.659194 2.442638 3.964685 4.985955 1.526687 2.536778 2.954979 0.000000 3.683098 3.306760 4.673072 1.210368 1.349917 1.419531 3.569493 2.496113 3.435714 2.402293 3.607441 0.000000 4.877156 5.865566 4.324106 4.110822 2.983960 3.703373 5.268780 2.529113 1.520268 3.710081 3.890907 3.402920 0.000000 3.112830 1.349772 3.654876 3.569704 2.447600 4.435490 6.114339 3.298101 4.201594 1.485180 3.104302 3.287774 5.068202 0.000000 1.435668 3.914301 2.690563 5.948928 4.142174 5.221519 5.649644 3.705248 4.897428 4.435331 2.362445 5.024802 6.201055 3.740517 0.000000 2.385829 4.023118 4.164612 6.235116 4.860178 5.474345 5.561808 4.709587 6.079487 5.219253 3.623808 5.430329 7.232261 4.340341 1.511692 0.000000 3.460346 2.214659 3.603528 4.922858 3.604164 5.662405 7.183465 4.099806 4.867506 2.600070 3.445086 4.591725 5.955315 1.354605 3.599511 4.301061 0.000000 3.743860 5.027989 5.115027 7.630409 6.258568 6.995105 7.013533 6.090483 7.371699 6.421760 4.845786 6.889919 8.617010 5.347972 2.499722 1.528691 4.972858 0.000000 5.186005 5.540947 6.309010 2.882119 3.549669 1.375939 2.241800 3.970961 4.663707 4.821709 5.212604 2.468439 4.082135 5.704819 6.537555 6.737429 6.971702 8.257028 0.000000 3.417965 4.545150 5.028473 3.420567 3.048910 1.365941 1.297794 3.166849 4.404266 4.405269 3.856971 2.504916 4.557916 4.822238 4.617791 4.661939 5.890474 6.170837 2.202127 0.000000 3.912733 2.217145 4.584583 5.531298 4.523490 6.239660 7.523152 5.104209 6.091507 3.699932 4.325724 5.287934 7.162721 2.226874 3.692589 3.915487 1.428839 4.300995 7.562010 6.277023 0.000000 3.837157 1.349912 5.055207 4.735831 4.165894 5.487397 6.704037 4.993035 6.169722 3.571285 4.474599 4.612105 7.057029 2.178539 3.869003 3.734898 2.220255 4.363233 6.751931 5.511353 1.352036 0.000000 5.478990 6.293606 6.799422 4.076804 4.485495 2.172925 1.370868 4.646877 5.449367 5.853758 5.690827 3.540330 5.004195 6.569083 6.718495 6.749766 7.762812 8.236553 1.357676 2.130483 8.227564 7.377914 0.000000 4.886602 5.652113 6.509070 8.234417 7.193516 7.622221 7.417651 7.196685 8.574963 7.393067 6.100329 7.610522 9.715744 6.260976 3.834835 2.506581 5.990464 1.494730 8.800185 6.714566 5.076502 4.869708 8.665510 0.000000 5.935543 6.950248 7.514878 9.387552 8.350087 8.595119 8.109941 8.252534 9.619914 8.645103 7.145506 8.725486 10.758014 7.559506 4.857325 3.570570 7.288103 2.506313 9.700715 7.566124 6.388128 6.189018 9.413757 1.327268 0.000000 2.565722 4.577919 3.067355 3.810222 2.085699 2.383712 3.359118 1.090657 2.117553 3.397632 2.107141 2.612320 2.737920 4.143146 3.941329 4.761857 4.999530 6.213136 3.371669 2.433928 5.848981 5.582619 3.808340 7.223813 8.173637 0.000000 4.039044 5.075160 2.761316 4.673124 2.812629 4.639259 6.272852 2.177462 1.091902 2.868026 2.798393 3.925108 2.155351 3.938927 5.083393 6.356565 4.420160 7.533813 5.509499 5.252056 5.762916 6.027473 6.399616 8.794874 9.900041 3.043300 0.000000 3.909771 5.941922 2.723734 5.337657 3.396088 4.510074 5.610665 2.124515 1.091422 4.062398 2.717955 4.331048 2.145823 5.005326 4.970342 6.235274 5.506636 7.459958 5.253225 4.815007 6.695442 6.864377 5.834739 8.726243 9.678648 2.399665 1.743878 0.000000 4.408190 2.766906 4.644373 2.326910 2.092296 3.906453 6.021652 3.326952 3.745380 1.089615 4.013612 2.494118 3.981993 2.135131 5.454648 6.110623 3.271286 7.308317 4.844569 4.850965 4.249874 3.971760 6.016764 8.171364 9.440774 4.134310 3.495275 4.799320 0.000000 3.722878 3.315669 3.206152 3.632152 2.095774 4.411898 6.336886 2.559286 2.666909 1.089497 2.926658 3.223095 3.443625 2.101231 4.672517 5.699426 2.745243 6.819234 5.487816 5.119092 4.081146 4.278112 6.522435 7.933936 9.171306 3.613827 2.097397 3.580925 1.740784 0.000000 4.988331 6.220901 4.772275 4.180654 3.279369 3.261731 4.516002 2.761936 2.175654 4.322220 4.180594 3.391801 1.092091 5.609033 6.359291 7.260676 6.581772 8.704962 3.397073 4.025367 7.676834 7.431443 4.159603 9.722598 10.690504 2.523342 3.074357 2.533117 4.601879 4.261655 0.000000 5.162340 5.478507 4.821878 3.389129 2.759184 3.548326 5.416917 2.867620 2.183814 3.283458 4.285959 2.964181 1.091033 4.743452 6.513637 7.445077 5.750290 8.842927 3.881902 4.644032 6.937342 6.740956 5.017220 9.867792 10.975659 3.217049 2.512976 3.070660 3.273022 3.145442 1.766394 0.000000 5.779152 6.820376 4.897151 5.079578 4.008589 4.757667 6.225735 3.469753 2.155440 4.550729 4.682519 4.462499 1.089969 5.920790 7.034864 8.158832 6.699976 9.497428 5.003998 5.596500 7.983200 7.984341 5.888814 10.656473 11.687262 3.695856 2.501705 2.449132 4.765961 4.092842 1.756817 1.751871 0.000000 2.071197 3.702582 2.653722 6.156518 4.330997 5.801322 6.520393 4.033275 5.074122 4.256672 2.629007 5.347890 6.446218 3.355868 1.092528 2.155923 2.853195 2.703355 7.159425 5.395245 2.940663 3.461957 7.498317 4.091803 5.205475 4.521681 5.023995 5.224474 5.264499 4.377794 6.775317 6.678361 7.224484 0.000000 2.074893 4.975744 2.700196 6.769490 4.826100 5.802784 6.005355 4.085365 5.098386 5.222903 2.677334 5.751731 6.458225 4.683057 1.092904 2.160553 4.471087 2.806480 7.049825 5.103564 4.656669 4.944282 7.116513 4.198221 5.000047 4.202729 5.331888 4.932562 6.282672 5.308965 6.570117 6.932026 7.199603 1.769682 0.000000 2.678443 4.680979 4.596822 6.389788 5.112771 5.275147 4.945896 4.855045 6.256004 5.739113 3.940256 5.515900 7.303656 5.060703 2.149669 1.093069 5.215510 2.158826 6.424115 4.247483 4.917174 4.575421 6.227740 2.767640 3.537948 4.656824 6.703626 6.331032 6.610075 6.262581 7.169625 7.585793 8.245841 3.060351 2.471897 0.000000 2.572209 3.182485 4.525896 5.565048 4.499391 5.089393 5.383300 4.683164 6.124436 4.758448 3.820637 4.919734 7.159681 3.775006 2.140694 1.093413 3.889201 2.155887 6.359051 4.410506 3.343194 2.860341 6.478446 2.721026 3.932973 4.804679 6.367595 6.463876 5.526254 5.400064 7.212937 7.213325 8.143505 2.528905 3.055988 1.760691 0.000000 3.870307 3.254251 3.356911 5.606446 4.062967 6.284367 7.835411 4.299032 4.774843 3.005198 3.552694 5.209219 5.958466 2.174144 3.931177 4.887610 1.078358 5.452559 7.574063 6.546869 2.253705 3.267886 8.391777 6.611539 7.864179 5.284309 4.142993 5.311941 3.709216 2.734262 6.697522 5.842007 6.562120 3.063724 4.608125 5.810050 4.671572 0.000000 3.980268 4.795150 5.052558 7.719919 6.316341 7.373730 7.681978 6.235179 7.431135 6.228442 4.929182 7.058763 8.731392 5.016686 2.695524 2.147182 4.400688 1.095861 8.693785 6.716804 3.619270 3.944281 8.827584 2.120774 3.193971 6.540368 7.434060 7.580132 7.093557 6.552976 8.951523 8.896201 9.576536 2.436787 3.121188 3.054202 2.500518 4.809670 0.000000 4.093037 5.915749 5.174361 8.358679 6.804022 7.530013 7.401056 6.411105 7.591192 7.043053 5.073500 7.515758 8.897487 6.074740 2.751593 2.166088 5.640094 1.093296 8.766511 6.634057 5.128044 5.331222 8.666261 2.133352 2.635752 6.475519 7.776561 7.522280 7.999856 7.323486 8.961686 9.244692 9.714382 3.032881 2.613151 2.507466 3.064823 5.961566 1.756470 0.000000 5.953224 5.958892 6.858971 2.840312 3.896503 2.155329 3.300263 4.449468 4.878474 4.997523 5.825154 2.768139 4.008855 6.043429 7.342935 7.625126 7.351975 9.142591 1.076796 3.230196 8.031335 7.240775 2.228467 9.714001 10.664378 4.012993 5.635037 5.557993 4.812803 5.605893 3.396069 3.610109 4.817330 7.869989 7.885473 7.393261 7.193216 7.912404 9.503370 9.682182 0.000000 2.535714 4.023869 4.417464 3.808311 2.988974 2.146470 2.121279 2.997851 4.423502 4.204779 3.253314 2.831355 4.919625 4.329372 3.609671 3.585907 5.240516 5.095220 3.232307 1.078549 5.514337 4.814638 3.182357 5.684301 6.561765 2.420202 5.170409 4.773575 4.826863 4.906721 4.550908 5.066553 5.963651 4.432331 4.132507 3.194415 3.392619 5.911482 5.655604 5.562138 4.214114 0.000000 4.625424 3.256768 5.167301 6.605012 5.553905 7.257936 8.425495 6.019098 6.967586 4.724755 5.076153 6.350636 8.117846 3.273972 4.095881 4.222383 2.254093 4.218703 8.592284 7.203747 1.077933 2.173635 9.202488 4.932088 6.185108 6.754147 6.588497 7.487779 5.279274 4.997318 8.650072 7.938878 8.900591 3.221195 4.950908 5.289413 3.776033 2.741851 3.335825 4.998967 9.091362 6.372357 0.000000 4.476627 2.072030 5.958392 5.160146 4.909024 5.860799 6.857860 5.782510 7.053508 4.473278 5.297960 5.130484 7.870906 3.176699 4.414149 3.902723 3.290124 4.391647 7.053996 5.769594 2.231571 1.078338 7.570549 4.555555 5.823394 6.239178 6.998857 7.741637 4.771882 5.271661 8.149361 7.529920 8.842917 4.142594 5.484551 4.646892 2.899742 4.321404 4.063573 5.447775 7.582535 5.075796 2.730275 0.000000 6.497842 7.343420 7.779221 4.990928 5.530031 3.227662 2.145320 5.639881 6.326433 6.892363 6.699133 4.558214 5.744567 7.640123 7.706610 7.690521 8.840627 9.150929 2.190006 3.154938 9.294342 8.418002 1.078517 9.512415 10.178606 4.757731 7.306761 6.642295 7.005412 7.537660 4.809106 5.780217 6.529477 8.523775 8.046887 7.089293 7.446838 9.464001 9.794476 9.544578 2.740362 4.168741 10.264496 8.564081 0.000000 5.080111 5.184431 6.837917 7.836204 7.057037 7.447304 7.369794 7.280086 8.706036 7.175121 6.317181 7.354957 9.761859 5.980398 4.215908 2.832326 5.791589 2.198635 8.606658 6.635540 4.731580 4.324826 8.542443 1.087410 2.083862 7.350767 8.901091 8.987119 7.841841 7.820069 9.785818 9.794845 10.744051 4.388402 4.802272 3.178707 2.602783 6.539117 2.537592 3.084539 9.472295 5.659599 4.622913 3.812435 9.398695 0.000000 6.813835 7.534344 8.502238 9.926410 9.085500 9.179354 8.599849 9.090486 10.502141 9.384135 8.063534 9.345162 11.578343 8.275116 5.821405 4.448603 8.057061 3.490772 10.222742 8.138202 7.057898 6.736131 9.884214 2.105988 1.082825 8.977960 10.803637 10.607196 10.112436 9.982754 11.474325 11.744994 12.539431 6.167444 6.030659 4.352613 4.637584 8.701908 4.099111 3.715521 11.184658 7.185872 6.838922 6.216869 10.598470 2.419683 0.000000 6.137120 7.599536 7.527433 9.952010 8.730474 8.996033 8.409018 8.454068 9.747641 9.084643 7.271378 9.190099 10.937975 8.067874 4.980922 3.890113 7.744329 2.778519 10.094729 7.911688 6.969083 6.900205 9.749601 2.112031 1.084419 8.334797 10.046895 9.684983 9.953060 9.519627 10.853005 11.256597 11.816670 5.377882 4.883815 3.760067 4.496736 8.209952 3.515633 2.453546 11.085384 6.898585 6.749104 6.657367 10.490393 3.065415 1.843667 0.000000 C18H23N3O4 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2928269 0.1579030 0.1372148 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.000000 3.061717 0.000000 2.248162 4.358161 0.000000 4.645613 4.362682 5.866830 0.000000 2.732547 3.159080 3.603323 2.290420 0.000000 3.747613 4.995718 4.955294 2.284709 2.374386 0.000000 4.405801 6.444847 5.660008 4.394881 4.282106 2.219964 0.000000 2.381294 3.896554 2.422382 3.602346 1.476590 2.877338 4.282379 0.000000 3.706890 4.767686 2.840128 4.373806 2.510265 4.016677 5.509763 1.537241 0.000000 3.432310 2.436827 4.134116 2.740514 1.484881 3.720912 5.699575 2.531851 3.017383 0.000000 1.329848 3.579591 1.213400 4.731917 2.512629 3.853476 4.741518 1.533464 2.545770 3.229974 0.000000 3.596841 4.003215 4.758389 1.223068 1.358447 1.432797 3.606365 2.496919 3.492015 2.415625 3.616184 0.000000 4.918331 5.710100 4.328586 4.097835 2.999846 3.996311 5.664125 2.545294 1.528079 3.512299 3.906173 3.485648 0.000000 3.063973 1.373311 3.736316 4.041416 2.482015 4.723654 6.408205 3.069936 3.608738 1.485553 3.037141 3.598890 4.537943 0.000000 1.458812 3.605317 2.699788 6.003613 4.160078 5.071229 5.333128 3.747008 4.916928 4.656232 2.384117 5.006216 6.248230 3.919538 0.000000 2.392361 3.712268 4.174011 6.174253 4.770850 5.357569 5.432897 4.750907 6.085925 5.208240 3.638471 5.342758 7.284151 4.481381 1.515076 0.000000 3.552083 2.234114 3.523221 5.310456 3.525211 5.822662 7.384707 3.637062 3.809971 2.615479 3.270502 4.783068 4.941846 1.360567 4.085892 4.887086 0.000000 3.773124 4.799745 5.150486 7.683751 6.259919 6.873095 6.753238 6.153181 7.394611 6.580817 4.886121 6.876836 8.680936 5.662000 2.518727 1.537644 5.829700 0.000000 5.085503 6.321712 6.133986 2.874873 3.602318 1.388739 2.258630 4.019992 4.902249 4.869743 5.110063 2.487091 4.505859 6.012785 6.371966 6.615226 7.116816 8.101496 0.000000 3.257003 5.158428 4.667074 3.484637 3.048716 1.378916 1.309782 3.166918 4.526885 4.442616 3.628936 2.535948 4.851095 5.100130 4.346666 4.533428 6.094161 5.971927 2.221971 0.000000 3.828523 2.235534 4.079586 6.235941 4.536048 6.657127 7.991152 4.667998 5.074103 3.718835 3.924222 5.714923 6.297274 2.243611 3.869305 4.429075 1.435236 5.057769 8.014039 6.712509 0.000000 3.535061 1.366161 4.520835 5.719844 4.318659 6.187165 7.440418 4.749036 5.500367 3.593807 4.052957 5.286784 6.631198 2.205032 3.562453 3.674210 2.234119 4.372615 7.548371 6.176341 1.358106 0.000000 5.366853 7.059265 6.462380 4.100286 4.530647 2.191211 1.386935 4.692626 5.693351 5.907506 5.514974 3.569845 5.469016 6.880333 6.470095 6.625396 7.931433 8.013085 1.363127 2.152980 8.705207 8.190473 0.000000 4.910169 5.458227 6.545305 8.215783 7.135034 7.537598 7.315725 7.258488 8.587311 7.404575 6.137447 7.561635 9.779842 6.537003 3.857310 2.520576 6.855408 1.501742 8.691047 6.631829 5.998365 5.077237 8.551919 0.000000 5.953754 6.748475 7.551052 9.202176 8.217987 8.347246 7.808470 8.291552 9.659073 8.606687 7.176375 8.539370 10.827764 7.812893 4.882177 3.589599 8.152818 2.517957 9.395845 7.317041 7.313829 6.409002 9.086521 1.332330 0.000000 2.751459 4.753223 2.894944 3.740443 2.080261 2.367872 3.427257 1.091017 2.126294 3.421573 2.087779 2.557446 2.745228 4.078623 4.071201 5.000922 4.705029 6.415772 3.336045 2.504561 5.659222 5.639438 3.821854 7.485831 8.395031 0.000000 3.933522 4.395091 2.956107 4.731840 2.829028 4.777571 6.396583 2.172921 1.092801 2.777886 2.811948 3.993237 2.173791 3.103455 5.018580 6.197557 3.032649 7.424561 5.758905 5.309569 4.374419 4.987780 6.625102 8.625354 9.778227 3.041835 0.000000 3.979608 5.509679 2.564247 5.337673 3.415485 4.625843 5.761679 2.126703 1.091705 4.027068 2.686040 4.361546 2.160625 4.409618 5.005359 6.319675 4.394004 7.523534 5.441283 4.909513 5.543003 6.079916 6.037531 8.815847 9.826071 2.408031 1.747867 0.000000 4.111396 2.598226 5.139127 2.275400 2.082760 3.834684 5.883337 3.420767 3.991571 1.087789 4.152056 2.434231 4.227699 2.114749 5.295779 5.577723 3.364064 6.951318 4.869434 4.673924 4.270497 3.882327 5.977656 7.580930 8.765508 4.156618 3.807164 5.033058 0.000000 4.216756 3.314307 4.409295 3.218636 2.120784 4.295865 6.352296 2.817656 2.708373 1.090817 3.704197 3.000423 2.970725 2.112987 5.440881 6.157711 2.807360 7.497617 5.290745 5.155307 4.126862 4.300475 6.415825 8.398963 9.614150 3.726859 2.277878 3.757669 1.757024 0.000000 5.113707 6.307215 4.655070 4.157296 3.315294 3.604192 5.023245 2.786082 2.176110 4.175366 4.180443 3.481119 1.094771 5.263026 6.459726 7.446021 5.781299 8.870294 3.857202 4.421168 7.069473 7.287464 4.705185 9.940609 10.898020 2.537514 3.085147 2.522607 4.802014 3.827758 0.000000 5.112449 5.381446 4.911525 3.349539 2.729066 3.820925 5.770717 2.849255 2.188004 2.997763 4.294202 3.024446 1.093665 4.244470 6.505952 7.379169 4.841857 8.823779 4.310326 4.893172 6.214069 6.426248 5.461260 9.809084 10.893579 3.175138 2.546020 3.083111 3.500327 2.384708 1.767785 0.000000 5.819251 6.501903 4.907617 5.061589 4.017908 5.070937 6.675924 3.491086 2.165655 4.312693 4.700975 4.546919 1.093134 5.237861 7.075896 8.199697 5.435485 9.544816 5.484864 5.914651 6.829692 7.326948 6.430155 10.699306 11.766638 3.723443 2.512139 2.488433 5.035651 3.573633 1.768485 1.764674 0.000000 2.076728 3.427405 2.638403 6.476332 4.502803 5.818367 6.317631 4.069386 4.996695 4.693598 2.630179 5.535809 6.425788 3.679457 1.091453 2.173204 3.507232 2.768389 7.161043 5.259196 3.080491 3.032515 7.385177 4.158044 5.279390 4.609195 4.871705 5.070472 5.398998 5.376748 6.797923 6.684152 7.148630 0.000000 2.080658 4.661587 2.692549 6.649933 4.765283 5.391138 5.295694 4.074696 5.167623 5.453395 2.675088 5.558718 6.505962 4.837026 1.092659 2.176666 4.914438 2.833966 6.589229 4.498982 4.772262 4.610643 6.507629 4.230809 5.037023 4.184281 5.401978 5.037913 6.161772 6.158078 6.596949 6.916610 7.292944 1.777024 0.000000 2.649278 4.328293 4.587910 5.985279 4.825168 4.902637 4.632649 4.839001 6.286561 5.508123 3.922039 5.146568 7.352303 5.050244 2.145764 1.094514 5.641388 2.169087 6.042832 3.904246 5.359457 4.550955 5.883573 2.780348 3.557147 4.863875 6.570640 6.516520 5.801510 6.489854 7.359873 7.445635 8.329388 3.068968 2.488275 0.000000 2.574622 2.883920 4.523869 5.669559 4.458731 5.253274 5.676747 4.747829 6.070712 4.659289 3.830769 5.002497 7.192260 3.881516 2.136968 1.094067 4.427725 2.169423 6.547149 4.655375 3.919850 2.919510 6.736212 2.746641 3.964032 5.144922 6.074393 6.478527 4.878020 5.663462 7.447558 7.132318 8.120468 2.521282 3.063089 1.763247 0.000000 4.131518 3.273923 3.510484 5.734679 3.876217 6.207360 7.813210 3.731148 3.464251 3.021826 3.507057 5.180790 4.572170 2.175753 4.720324 5.719734 1.078721 6.648884 7.427553 6.559470 2.259628 3.281458 8.279664 7.773103 9.048976 4.804636 2.500797 3.947581 3.888272 2.829435 5.504100 4.586552 4.869754 4.111257 5.396037 6.446677 5.378326 0.000000 4.031142 4.634056 5.105669 8.037285 6.471925 7.426016 7.545755 6.338266 7.433097 6.582556 4.994091 7.251820 8.795173 5.470217 2.720831 2.154843 5.412682 1.098276 8.722549 6.652551 4.451311 3.915235 8.758732 2.129364 3.207530 6.756974 7.309060 7.555677 7.004074 7.428179 9.107214 8.939001 9.585345 2.515165 3.148943 3.063769 2.508809 6.207993 0.000000 4.113621 5.665857 5.206770 8.283566 6.758769 7.206366 6.815692 6.443119 7.649635 7.235318 5.104088 7.376404 8.963782 6.379506 2.766310 2.172913 6.473277 1.095316 8.373330 6.173538 5.784272 5.262900 8.142087 2.140448 2.646970 6.581441 7.765122 7.630658 7.697652 8.105727 9.072495 9.224856 9.801909 3.102012 2.639064 2.517069 3.075745 7.187125 1.763575 0.000000 5.861089 6.746839 6.780779 2.774148 3.950700 2.156729 3.319611 4.502108 5.134820 5.030107 5.770897 2.762978 4.435990 6.330995 7.216343 7.493309 7.451370 9.004624 1.076805 3.245301 8.453668 8.033656 2.239936 9.585475 10.338736 3.938425 5.941341 5.760543 4.921706 5.289815 3.801602 4.076294 5.320458 7.927710 7.496284 6.986563 7.329938 7.692453 9.570082 9.332623 0.000000 2.333757 4.494738 4.006617 3.884569 2.950128 2.151412 2.138751 2.959061 4.454536 4.224873 2.973907 2.854647 5.101052 4.574009 3.301273 3.471900 5.478339 4.912123 3.248822 1.077947 5.931360 5.369666 3.206937 5.643953 6.384582 2.531131 5.105754 4.791234 4.554791 5.043933 4.848826 5.194826 6.153743 4.250527 3.498580 2.892645 3.667670 6.025838 5.579928 5.128228 4.222741 0.000000 4.585501 3.276155 4.525296 7.304100 5.535939 7.649325 8.886880 5.509245 5.790684 4.744546 4.620962 6.752104 7.077520 3.290507 4.364047 4.960584 2.259949 5.309242 9.011485 7.632177 1.079085 2.178761 9.657507 6.276880 7.558219 6.486156 5.029741 6.122625 5.324998 5.051112 7.875428 7.077303 7.514604 3.401968 5.153641 5.974305 4.566537 2.747025 4.521636 5.964398 9.472536 6.802206 0.000000 4.062745 2.079511 5.287564 6.330097 5.117866 6.749416 7.816652 5.600274 6.480440 4.491265 4.812167 5.946225 7.609558 3.200808 3.811714 3.526391 3.304425 3.947887 8.098435 6.609538 2.241802 1.077945 8.646017 4.397651 5.717784 6.402961 6.029109 7.034321 4.628864 5.279636 8.206318 7.386635 8.349105 3.341953 4.857300 4.426192 2.681066 4.336025 3.454066 4.941519 8.637232 5.747067 2.742853 0.000000 6.389567 8.131691 7.407053 5.008306 5.581368 3.247320 2.158005 5.692650 6.599213 6.948665 6.516307 4.588034 6.257676 7.953123 7.437294 7.560821 8.998173 8.895108 2.198144 3.176425 9.780469 9.262209 1.079047 9.381410 9.815700 4.768656 7.570707 6.874941 6.990875 7.411347 5.394028 6.276919 7.148392 8.379846 7.396234 6.754397 7.717025 9.319559 9.689006 8.960688 2.761037 4.193807 10.726506 9.697813 0.000000 5.101139 5.031469 6.870327 7.934384 7.031180 7.552254 7.571380 7.357916 8.679396 7.130959 6.353535 7.419835 9.813962 6.243293 4.234203 2.839618 6.635656 2.204117 8.722289 6.798552 5.725733 4.654770 8.712883 1.089994 2.092219 7.679937 8.641094 9.031198 7.178992 8.145924 10.041510 9.726788 10.741820 4.442670 4.829557 3.182019 2.622948 7.625244 2.546062 3.091871 9.542861 5.851848 6.054900 3.839002 9.577347 0.000000 6.830574 7.357182 8.538723 9.716885 8.932286 8.973794 8.420797 9.131175 10.530919 9.274428 8.093614 9.155987 11.645780 8.509810 5.847949 4.469226 8.918705 3.505590 9.968568 7.978530 8.045682 7.044937 9.650317 2.114232 1.085677 9.232516 10.643217 10.758772 9.326031 10.311166 11.710310 11.642314 12.610027 6.242016 6.069063 4.371347 4.672239 9.861398 4.116927 3.729711 10.886109 7.105346 8.305194 6.259881 10.341327 2.432209 0.000000 6.148034 7.368299 7.556797 9.670196 8.565712 8.584817 7.828657 8.468842 9.811971 9.080792 7.292666 8.907652 11.008299 8.317803 4.999612 3.905478 8.596603 2.784516 9.590254 7.447934 7.815588 7.033108 9.162272 2.115160 1.087282 8.480920 9.997349 9.864565 9.333985 10.056090 11.014757 11.174023 11.927042 5.448912 4.915421 3.779197 4.522817 9.419488 3.523230 2.458307 10.582381 6.521723 8.018080 6.440980 9.837055 3.073157 1.851041 0.000000 C18H23N3O4 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2679261 0.1702312 0.1297982 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= 709 709 709 709 709 MxSgAt= 48 MxSgA2= 48. 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2324.3396699477 48 48 48 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 -0.0564585102 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 713 A 688 A 688 1084 713 92 92 2366.7111864571 48 48 48 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 -0.0628962917 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 713 A 688 A 688 1084 713 92 92 2292.9389989214 48 48 48 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 -0.0557740631 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 713 A 688 A 688 1084 713 92 92 2321.0474939041 48 48 48 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 -0.0563775621 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 713 A 688 A 688 1084 713 92 92 2321.5732323700 48 48 48 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 -0.0570738875 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 713 A 688 A 688 1084 713 92 92 2326.6659017702 48 48 48 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 -0.0572108140 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 713 A 688 A 688 1084 713 92 92 2325.0589144647 48 48 48 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 -0.0570334640 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 713 A 688 A 688 1084 713 92 92 2326.8009943439 48 48 48 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 -0.0572443035 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 713 A 688 A 688 1084 713 92 92 2328.0669008625 48 48 48 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 -0.0574296672 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 713 A 688 A 688 1084 713 92 92 2329.7324897398 48 48 48 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 -0.0576310118 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 713 A 688 A 688 1084 713 92 92 2330.6364376242 48 48 48 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 -0.0576855769 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 713 A 688 A 688 1084 713 92 92 2330.8275271484 48 48 48 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 -0.0577485442 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 713 A 688 A 688 1084 713 92 92 2330.8788764593 48 48 48 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 -0.0577706934 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 713 A 688 A 688 1084 713 92 92 2330.9299761463 48 48 48 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 -0.0577918090 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 713 A 688 A 688 1084 713 92 92 2330.8233512344 48 48 48 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 -0.0578132619 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 713 A 688 A 688 1084 713 92 92 2330.7000535579 48 48 48 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 -0.0578367276 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 713 A 688 A 688 1084 713 92 92 2330.3381771704 48 48 48 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 -0.0578670693 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 713 A 688 A 688 1084 713 92 92 2330.2304602216 48 48 48 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 -0.0578453371 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 713 A 688 A 688 1084 713 92 92 2328.9811228447 48 48 48 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 -0.0578111320 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 713 A 688 A 688 1084 713 92 92 2329.3135396828 48 48 48 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 -0.0578765292 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 713 A 688 A 688 1084 713 92 92 2330.6252393054 48 48 48 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 -0.0580873507 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 713 A 688 A 688 1084 713 92 92 2338.2400948746 48 48 48 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 -0.0582385429 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 713 A 688 A 688 1084 713 92 92 2327.5392894531 48 48 48 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 -0.0579506764 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 713 A 688 A 688 1084 713 92 92 2330.2927379798 48 48 48 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 -0.0580774883 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 713 A 688 A 688 1084 713 92 92 2328.9446559973 48 48 48 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 -0.0572572699 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 713 A 688 A 688 1084 713 92 92 2330.1798813656 48 48 48 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 -0.0577793661 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 713 A 688 A 688 1084 713 92 92 2352.9490974609 48 48 48 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 -0.0598131768 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 713 A 688 A 688 1084 713 92 92 2322.6382925929 48 48 48 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 -0.0570136468 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 713 A 688 A 688 1084 713 92 92 2350.4319361233 48 48 48 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 -0.0601180497 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 713 A 688 A 688 1084 713 92 92 2324.2185688567 48 48 48 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 -0.0569094902 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 713 A 688 A 688 1084 713 92 92 2329.9260537897 48 48 48 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 -0.0580031034 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 713 A 688 A 688 1084 713 92 92 2322.2593465293 48 48 48 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 -0.0577659006 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 713 A 688 A 688 1084 713 92 92 2328.7341025941 48 48 48 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 -0.0580315517 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 713 A 688 A 688 1084 713 92 92 2328.4052535899 48 48 48 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 -0.0580306120 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 713 A 688 A 688 1084 713 92 92 2327.8689845683 48 48 48 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 -0.0580559045 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 713 A 688 A 688 1084 713 92 92 2333.1150682448 48 48 48 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 -0.0579607237 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 713 A 688 A 688 1084 713 92 92 2328.9398677212 48 48 48 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 -0.0579776090 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 713 A 688 A 688 1084 713 92 92 2329.7844725088 48 48 48 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 -0.0580175219 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 713 A 688 A 688 1084 713 92 92 2328.7781962448 48 48 48 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 -0.0580312233 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 713 A 688 A 688 1084 713 92 92 2325.4188372820 48 48 48 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 -0.0580572892 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 713 A 688 A 688 1084 713 92 92 2327.6085038893 48 48 48 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 -0.0580787385 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 713 A 688 A 688 1084 713 92 92 2327.7700903631 48 48 48 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 -0.0580653306 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 713 A 688 A 688 1084 713 92 92 2322.4615065365 48 48 48 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 -0.0579082423 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 713 A 688 A 688 1084 713 92 92 2334.0707686816 48 48 48 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 -0.0586650528 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 713 A 688 A 688 1084 713 92 92 2325.4952360016 48 48 48 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 -0.0580827244 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 713 A 688 A 688 1084 713 92 92 2326.5523312392 48 48 48 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 -0.0580895678 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 713 A 688 A 688 1084 713 92 92 2313.3141428009 48 48 48 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 -0.0569450618 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 713 A 688 A 688 1084 713 92 92 2323.8855665417 48 48 48 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 -0.0582848612 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 713 A 688 A 688 1084 713 92 92 2326.1275847952 48 48 48 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 -0.0581176273 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 713 A 688 A 688 1084 713 92 92 2326.1269404420 48 48 48 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 -0.0583287781 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 713 A 688 A 688 1084 713 92 92 2325.3293056046 48 48 48 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 -0.0581465499 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 713 A 688 A 688 1084 713 92 92 2326.1500886534 48 48 48 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 -0.0581944090 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 713 A 688 A 688 1084 713 92 92 2327.3210719943 48 48 48 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 -0.0583032610 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 713 A 688 A 688 1084 713 92 92 2327.1942676831 48 48 48 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 -0.0582844348 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 713 A 688 A 688 1084 713 92 92 2327.0179074012 48 48 48 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 -0.0582637528 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 713 A 688 A 688 1084 713 92 92 2327.0342339577 48 48 48 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 -0.0582626689 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 713 A 688 A 688 1084 713 92 92 2327.0517988557 48 48 48 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 -0.0582649236 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= 688 RedAO= T EigKep= 1.15D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 710 710 710 710 710 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1164.60082877054 -1164.81392385030 -0.213095079755 -1165.19157751850 -0.377653668204 -1165.27054652924 -0.078969010739 -1165.28544762180 -0.014901092562 -1165.28616793711 -0.000720315312 -1165.28624824115 -0.000080304032 -1165.28625606532 -0.000007824178 -1165.28625653884 -0.000000473518 -1165.28625663904 -0.000000100195 -1165.28625664219 -0.000000003157 -1165.28625664276 -0.000000000562 -1165.28625664290 -0.000000000149 -1165.28625664289 0.000000000010 -1165.28625664307 -0.000000000178 -1165.28625664 15 1.161093815664e+03 -7.400713478073e+03 2.732103380371e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953476932 LenY= 4952967850 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. 6.47705397e-01 -1.49553242e+00 9.05346337e-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 45 46 47 48 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.007685453 0.001228061 -0.008693489 0.012226341 0.008405887 -0.009947496 -0.009347042 -0.004749946 0.012313012 -0.007161264 0.008007435 -0.016664561 0.000630434 0.001165111 -0.001495423 -0.002036523 0.000294430 0.000497859 0.014579232 -0.006218017 0.002103434 0.004410061 0.000545589 0.005778733 -0.002104887 0.001893721 0.003735599 -0.009572483 0.002037620 -0.000661103 0.003630774 0.007618972 -0.001622103 0.000832640 -0.003635135 0.009068844 0.000520836 0.004629237 0.000150994 -0.006290693 0.008301142 0.009641204 -0.002018543 -0.011180333 0.001897853 0.001062203 0.001683006 -0.001761172 -0.005427733 -0.001845025 0.005384441 -0.001175899 -0.001919673 0.001005719 0.000173870 0.010507087 -0.001789325 -0.007083335 -0.015218055 0.002456999 -0.004368510 -0.005660361 0.001543692 0.000619181 -0.013428812 -0.008852825 0.008961196 0.009826002 -0.001708924 -0.001654216 0.000670478 -0.001178929 0.003026615 -0.003550248 -0.000348151 -0.001256793 -0.001207076 -0.001077990 -0.000410815 -0.001340404 -0.000601613 0.000570855 -0.001628407 0.001004713 0.001887486 -0.000225073 -0.001474478 0.000769464 -0.001218319 0.000647107 0.001918669 -0.000375060 -0.000598652 -0.000391508 -0.000668685 -0.002209384 -0.001020526 0.001275237 0.001879990 -0.000398062 0.002289667 0.000157904 0.000193133 0.001796673 0.001026699 0.001012724 0.000850515 0.000495302 -0.000880292 0.001206790 -0.000386438 0.000169408 0.000441302 0.000596449 -0.001659151 0.000148977 -0.000416231 0.000704892 -0.000455404 0.001317306 -0.001252942 -0.000560263 -0.000296504 -0.001674207 0.000282334 0.000321298 -0.000248050 -0.000773366 -0.000093420 0.000563760 0.000756054 -0.000010459 0.000577945 0.000353596 -0.000052170 -0.000550235 0.000921083 -0.001486686 0.000992946 -0.001012970 -0.001594534 0.000263591 -0.000265372 0.001996908 0.016664561 0.004669806 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1165.29037382481 -1165.29037829372 -0.000004468910 -1165.29037830450 -0.000000010785 -1165.29037834991 -0.000000045411 -1165.29037835310 -0.000000003186 -1165.29037835370 -0.000000000598 -1165.29037835382 -0.000000000120 -1165.29037835384 -0.000000000026 -1165.29037835 8 1.160424900968e+03 -7.369746313749e+03 2.717034915843e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953476932 LenY= 4952967850 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) PT767993.200S Wed Jan 12 00:32:44 2022 5.32999811e-01 -1.96677547e+00 4.95585183e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2903784 4.497E-9 1.077E-5 -3.312065,12.8079032,-9.4958383,0.020147,1.089699,9.1604452 C01 [X(C18H23N3O4)] -1.9363094 -0.417787 0.6885195 -0.000009903 0.000030676 -0.000003720 0.000009517 0.000008888 0.000010842 -0.000007980 -0.000000755 0.000009690 0.000005688 -0.000017946 0.000019701 -0.000022281 -0.000009227 0.000000595 0.000026197 0.000024663 -0.000011526 0.000016558 0.000003151 -0.000004771 -0.000021205 0.000001590 0.000010281 -0.000005653 -0.000006535 -0.000006316 0.000008506 -0.000029734 0.000013723 0.000022059 -0.000005853 -0.000035283 -0.000006204 0.000018912 -0.000034014 -0.000003039 0.000000468 -0.000008223 0.000002993 0.000010150 0.000001431 0.000007341 -0.000041246 0.000008377 0.000000124 0.000014026 0.000005926 -0.000019366 -0.000001603 -0.000013679 0.000002467 -0.000010238 -0.000000577 -0.000007988 -0.000004363 0.000019386 -0.000016872 -0.000010934 0.000005546 0.000023018 -0.000011891 0.000014236 -0.000016590 -0.000007639 -0.000021277 0.000003890 0.000002784 0.000007491 0.000002941 0.000004385 0.000002570 0.000006201 0.000000556 0.000000503 0.000002425 -0.000002327 -0.000000426 -0.000005485 0.000008152 0.000008235 -0.000002069 -0.000003789 0.000000545 0.000013162 0.000007105 -0.000001322 -0.000004536 0.000000145 -0.000005720 -0.000006031 -0.000003737 0.000003415 -0.000004396 0.000004752 0.000003460 -0.000007514 -0.000001023 -0.000003504 -0.000000731 0.000007944 -0.000005763 -0.000000927 0.000002021 0.000002220 -0.000000337 0.000002667 0.000004767 0.000004068 -0.000001709 -0.000002765 -0.000005790 -0.000007134 -0.000004237 0.000002902 0.000000294 -0.000000028 0.000003423 0.000001230 -0.000002703 -0.000004639 0.000003112 0.000005509 -0.000005496 0.000007481 0.000007530 0.000001519 0.000000818 0.000000314 0.000003436 0.000002755 -0.000004579 -0.000002172 0.000004243 0.000003184 0.000006286 0.000000308 -0.000001347 0.000006665 0.000002161 0.000001127 0.000005818 0.000002245 0.000001178 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 GINC-BELVIS10 PAULAPLA Optimization pefurazoate CONF589 octanol EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Optimization pefurazoate CONF589 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 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 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 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 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/pefurazoate/octanol/CONF589/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 R48 R49 1 1 2 2 3 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 13 13 13 14 15 15 15 16 16 16 17 17 18 18 18 19 19 20 21 21 22 23 24 24 25 25 11 15 14 22 11 12 8 10 12 12 19 20 20 23 9 11 26 13 27 28 14 29 30 31 32 33 17 16 34 35 18 36 37 21 38 24 39 40 23 41 42 22 43 44 45 25 46 47 48 1.3298 1.4588 1.3733 1.3662 1.2134 1.2231 1.4766 1.4849 1.3584 1.4328 1.3887 1.3789 1.3098 1.3869 1.5372 1.5335 1.091 1.5281 1.0928 1.0917 1.4856 1.0878 1.0908 1.0948 1.0937 1.0931 1.3606 1.5151 1.0915 1.0927 1.5376 1.0945 1.0941 1.4352 1.0787 1.5017 1.0983 1.0953 1.3631 1.0768 1.0779 1.3581 1.0791 1.0779 1.079 1.3323 1.09 1.0857 1.0873 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 A81 A82 A83 A84 11 14 8 8 10 12 12 19 20 5 5 5 9 9 11 8 8 8 13 13 27 5 5 5 14 14 29 1 1 3 4 4 5 9 9 9 31 31 32 2 2 10 1 1 1 16 16 34 15 15 15 18 18 36 14 14 21 16 16 16 24 24 39 6 6 23 6 6 7 17 17 22 2 2 21 7 7 19 18 18 25 24 24 47 1 2 5 5 5 6 6 6 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 12 12 12 13 13 13 13 13 13 14 14 14 15 15 15 15 15 15 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 24 24 24 25 25 25 15 22 10 12 12 19 20 20 23 9 11 26 11 26 26 13 27 28 27 28 28 14 29 30 29 30 30 3 8 8 5 6 6 31 32 33 32 33 33 10 17 17 16 34 35 34 35 35 18 36 37 36 37 37 21 38 38 24 39 40 39 40 40 23 41 41 7 42 42 22 43 43 21 44 44 19 45 45 25 46 46 47 48 48 117.4301 107.2031 117.5037 123.4089 116.2608 123.6322 128.8138 106.8029 105.9142 112.7833 113.1652 107.2761 112.0026 106.7678 104.1324 112.2694 110.2751 106.7612 110.9864 110.006 106.2831 113.3512 107.0972 109.9061 109.5596 109.2399 107.5088 124.1871 112.3444 123.3174 124.9745 118.4765 116.5408 111.0529 112.0766 110.3193 107.7601 107.8604 107.6012 116.8879 109.6093 133.5024 107.1003 108.177 108.4156 111.947 112.1535 108.9011 111.1903 109.5697 108.9064 109.8444 109.897 107.3476 106.7071 125.8497 127.439 112.0493 108.5194 110.0981 108.9782 110.026 107.0211 105.5458 121.5154 132.9357 111.2861 121.7696 126.9335 106.1895 127.4397 126.3707 110.2894 116.1055 133.6027 110.4276 121.6156 127.9568 125.2544 115.6051 119.1372 121.6071 121.5653 116.8275 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 15 15 11 11 11 22 22 14 14 10 10 10 12 12 12 8 8 8 12 12 12 8 8 10 10 19 19 20 20 12 12 20 20 12 12 19 19 23 23 20 20 5 5 5 11 11 11 26 26 26 5 5 9 9 26 26 8 8 8 27 27 27 28 28 28 5 5 29 29 30 30 2 2 10 10 1 1 1 34 34 34 35 35 35 15 15 15 36 36 36 37 37 37 14 14 38 38 16 16 39 39 40 40 6 6 41 41 17 17 43 43 18 18 46 46 1 1 1 1 1 2 2 2 2 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 6 6 6 6 6 6 6 6 6 6 6 6 7 7 7 7 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 10 10 10 10 10 10 14 14 14 14 15 15 15 15 15 15 15 15 15 16 16 16 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 19 19 19 19 21 21 21 21 24 24 24 24 11 11 15 15 15 14 14 22 22 8 8 8 8 8 8 10 10 10 10 10 10 12 12 12 12 12 12 12 12 19 19 19 19 20 20 20 20 20 20 23 23 9 9 9 9 9 9 9 9 9 11 11 11 11 11 11 13 13 13 13 13 13 13 13 13 14 14 14 14 14 14 17 17 17 17 16 16 16 16 16 16 16 16 16 18 18 18 18 18 18 18 18 18 21 21 21 21 24 24 24 24 24 24 23 23 23 23 22 22 22 22 25 25 25 25 3 8 16 34 35 10 17 21 44 9 11 26 9 11 26 14 29 30 14 29 30 4 6 4 6 4 5 4 5 23 41 23 41 7 42 7 42 6 42 19 45 13 27 28 13 27 28 13 27 28 1 3 1 3 1 3 31 32 33 31 32 33 31 32 33 2 17 2 17 2 17 21 38 21 38 18 36 37 18 36 37 18 36 37 24 39 40 24 39 40 24 39 40 22 43 22 43 25 46 25 46 25 46 7 45 7 45 2 44 2 44 47 48 47 48 2.2464 177.8992 176.8613 56.0251 -61.9232 179.801 -0.4052 0.3928 179.9073 -53.0688 75.3723 -170.3476 107.1516 -124.4073 -10.1272 -60.7739 178.2748 61.7782 137.5867 16.6354 -99.8612 -153.0171 28.0437 7.4285 -171.5107 37.0297 -143.9591 -131.6936 47.3176 -172.3621 8.2015 -1.5204 179.0431 171.3437 -7.5392 1.136 -177.747 -0.2567 178.5552 -0.7518 179.2392 -57.3009 67.0219 -177.927 173.6554 -62.0218 53.0293 60.2777 -175.3994 -60.3483 34.4792 -149.824 163.3226 -20.9806 -81.678 94.0188 -57.1947 63.391 -176.7312 178.8776 -60.5367 59.3412 61.5388 -177.8755 -57.9976 -78.8999 101.3679 40.6526 -139.0796 158.1796 -21.5526 0.2644 179.5694 -179.9892 -0.6842 -175.8873 62.4969 -54.6484 -57.4727 -179.0885 63.7662 65.2887 -56.3271 -173.4724 177.3854 57.0072 -59.8198 -61.1591 178.4626 61.6356 56.7284 -63.6498 179.5232 -0.0227 179.8522 -179.3132 0.5617 120.1846 -59.1529 -119.7043 60.9583 -2.651 178.0115 1.4229 -178.5674 -179.2333 0.7764 -0.2294 -179.6273 179.894 0.4961 -179.6941 0.3964 -0.3781 179.7124 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00214 0.00236 0.00241 0.00254 0.00315 0.00321 0.00478 0.00599 0.00690 0.00808 0.01025 0.01172 0.01230 0.01380 0.01457 0.01606 0.01949 0.02094 0.02269 0.02436 0.02742 0.02931 0.03131 0.03236 0.03634 0.03856 0.03867 0.03906 0.04199 0.04350 0.04379 0.04476 0.04545 0.04590 0.04595 0.04790 0.05044 0.05124 0.05396 0.05519 0.05957 0.06046 0.06154 0.06306 0.06490 0.06893 0.07126 0.07850 0.08821 0.08931 0.09468 0.09630 0.09933 0.09948 0.10203 0.10360 0.10619 0.10704 0.11212 0.11387 0.11909 0.12192 0.12475 0.13073 0.13378 0.14412 0.14468 0.15786 0.16098 0.16225 0.16595 0.17107 0.18931 0.19318 0.19395 0.20371 0.21045 0.21527 0.22090 0.22440 0.22535 0.23734 0.24034 0.24290 0.24540 0.25100 0.27017 0.27824 0.28169 0.28939 0.29373 0.30532 0.30771 0.31571 0.32162 0.32175 0.32650 0.32699 0.32859 0.33002 0.33183 0.33312 0.33371 0.33430 0.33753 0.33862 0.33923 0.34129 0.34428 0.34445 0.34713 0.34948 0.35092 0.35459 0.35466 0.35700 0.36526 0.37026 0.37082 0.37367 0.37387 0.37622 0.37692 0.39681 0.40608 0.42406 0.42578 0.45495 0.45896 0.46432 0.47762 0.54289 0.57517 0.61839 0.62662 0.71666 0.78065 0.82310 Angle between quadratic step and forces= 69.29 degrees. 1 2 0.00056430 0.00000018 0.00000011 0.00000001 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 R48 R49 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 A81 A82 A83 A84 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 2.51305 2.75675 2.59518 2.58167 2.29299 2.31126 2.79035 2.80602 2.56709 2.70759 2.62434 2.60577 2.47513 2.62093 2.90496 2.89783 2.06172 2.88765 2.06509 2.06302 2.80729 2.05562 2.06135 2.06882 2.06673 2.06572 2.57110 2.86308 2.06255 2.06483 2.90573 2.06833 2.06749 2.71220 2.03849 2.83788 2.07544 2.06985 2.57594 2.03487 2.03702 2.56645 2.03918 2.03702 2.03910 2.51774 2.05979 2.05163 2.05466 2.04954 1.87105 2.05083 2.15389 2.02913 2.15779 2.24823 1.86406 1.84855 1.96844 1.97511 1.87232 1.95481 1.86345 1.81745 1.95947 1.92466 1.86333 1.93708 1.91997 1.85499 1.97835 1.86920 1.91822 1.91218 1.90660 1.87638 2.16747 1.96078 2.15229 2.18122 2.06781 2.03402 1.93824 1.95611 1.92543 1.88077 1.88252 1.87799 2.04008 1.91304 2.33006 1.86925 1.88804 1.89221 1.95384 1.95745 1.90068 1.94064 1.91235 1.90078 1.91715 1.91806 1.87357 1.86239 2.19649 2.22423 1.95563 1.89402 1.92157 1.90203 1.92032 1.86787 1.84212 2.12084 2.32017 1.94231 2.12528 2.21541 1.85336 2.22424 2.20559 1.92491 2.02642 2.33181 1.92733 2.12259 2.23327 2.18610 2.01769 2.07934 2.12244 2.12172 2.03902 0.03921 3.10493 3.08681 0.97782 -1.08076 3.13812 -0.00707 0.00686 3.13997 -0.92622 1.31549 -2.97313 1.87015 -2.17132 -0.17675 -1.06070 3.11148 1.07823 2.40134 0.29034 -1.74291 -2.67065 0.48945 0.12965 -2.99343 0.64629 -2.51256 -2.29849 0.82585 -3.00829 0.14314 -0.02654 3.12489 2.99051 -0.13158 0.01983 -3.10227 -0.00448 3.11638 -0.01312 3.12831 -1.00009 1.16975 -3.10541 3.03086 -1.08248 0.92554 1.05204 -3.06130 -1.05328 0.60178 -2.61492 2.85052 -0.36618 -1.42555 1.64094 -0.99824 1.10638 -3.08454 3.12200 -1.05656 1.03570 1.07405 -3.10451 -1.01225 -1.37706 1.76920 0.70952 -2.42740 2.76076 -0.37616 0.00461 3.13408 -3.14140 -0.01194 -3.06981 1.09078 -0.95380 -1.00309 -3.12568 1.11293 1.13950 -0.98309 -3.02766 3.09596 0.99496 -1.04405 -1.06743 3.11476 1.07574 0.99010 -1.11090 3.13327 -0.00040 3.13901 -3.12961 0.00980 2.09762 -1.03241 -2.08923 1.06392 -0.04627 3.10689 0.02483 -3.11659 -3.12821 0.01355 -0.00400 -3.13509 3.13974 0.00866 -3.13625 0.00692 -0.00660 3.13657 -0.00001 0.00003 -0.00001 0.00001 0.00001 -0.00003 -0.00001 -0.00001 0.00003 0.00002 -0.00001 0.00000 0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 0.00002 -0.00002 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00002 -0.00001 -0.00000 0.00000 0.00001 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 0.00001 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 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 0.00001 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 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00001 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 -0.00006 0.00016 -0.00002 0.00001 0.00003 -0.00005 -0.00003 -0.00006 0.00004 0.00010 -0.00006 -0.00002 0.00004 -0.00001 -0.00000 -0.00003 0.00002 0.00002 -0.00000 0.00001 -0.00003 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00002 -0.00005 -0.00001 -0.00001 0.00004 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00003 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00005 0.00003 0.00000 -0.00001 0.00004 0.00017 -0.00024 0.00003 -0.00001 0.00003 -0.00003 -0.00004 0.00008 0.00001 -0.00006 -0.00001 0.00012 -0.00004 -0.00004 -0.00001 -0.00002 0.00004 -0.00011 0.00002 0.00007 0.00001 -0.00004 0.00000 0.00008 -0.00008 0.00004 0.00002 -0.00006 -0.00003 0.00005 -0.00001 0.00003 0.00001 -0.00005 -0.00009 -0.00002 0.00011 -0.00009 -0.00011 -0.00001 0.00006 0.00007 0.00007 0.00006 -0.00005 0.00002 -0.00002 -0.00002 0.00001 0.00000 0.00007 -0.00007 -0.00004 0.00002 -0.00001 0.00003 -0.00001 0.00002 -0.00000 -0.00001 0.00001 -0.00002 -0.00005 0.00007 0.00001 -0.00008 0.00006 -0.00003 -0.00002 0.00005 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00011 -0.00012 0.00061 0.00065 0.00064 -0.00010 0.00001 -0.00017 -0.00007 -0.00014 -0.00004 -0.00015 -0.00003 0.00008 -0.00004 0.00004 0.00000 0.00010 -0.00006 -0.00009 0.00001 -0.00023 -0.00013 -0.00012 -0.00003 0.00066 0.00057 0.00099 0.00090 0.00040 0.00037 0.00011 0.00007 -0.00039 -0.00056 -0.00013 -0.00030 0.00009 0.00027 -0.00002 -0.00001 0.00007 0.00011 0.00012 0.00002 0.00005 0.00007 0.00005 0.00008 0.00010 -0.00012 -0.00012 -0.00004 -0.00004 -0.00002 -0.00003 -0.00019 -0.00014 -0.00017 -0.00030 -0.00025 -0.00028 -0.00025 -0.00021 -0.00023 -0.00003 -0.00017 -0.00009 -0.00024 -0.00010 -0.00024 0.00014 0.00002 0.00027 0.00016 -0.00034 -0.00032 -0.00031 -0.00050 -0.00047 -0.00047 -0.00031 -0.00029 -0.00028 -0.00028 -0.00030 -0.00032 -0.00032 -0.00034 -0.00036 -0.00033 -0.00035 -0.00037 -0.00024 -0.00005 -0.00012 0.00007 -0.00022 -0.00019 -0.00021 -0.00017 -0.00018 -0.00014 -0.00005 -0.00006 -0.00002 -0.00003 0.00025 0.00013 0.00007 -0.00006 0.00003 0.00001 -0.00001 -0.00002 -0.00006 0.00016 -0.00002 0.00001 0.00003 -0.00005 -0.00003 -0.00006 0.00004 0.00010 -0.00006 -0.00002 0.00004 -0.00001 -0.00000 -0.00003 0.00002 0.00002 -0.00000 0.00001 -0.00003 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00002 -0.00005 -0.00001 -0.00001 0.00004 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00003 0.00001 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00005 0.00003 0.00000 -0.00001 0.00004 0.00017 -0.00024 0.00003 -0.00001 0.00003 -0.00003 -0.00004 0.00008 0.00001 -0.00006 -0.00001 0.00012 -0.00004 -0.00004 -0.00001 -0.00002 0.00004 -0.00011 0.00002 0.00007 0.00001 -0.00004 0.00000 0.00008 -0.00008 0.00004 0.00002 -0.00006 -0.00003 0.00005 -0.00001 0.00003 0.00001 -0.00005 -0.00009 -0.00002 0.00011 -0.00009 -0.00011 -0.00001 0.00006 0.00007 0.00007 0.00006 -0.00005 0.00002 -0.00002 -0.00002 0.00001 0.00000 0.00007 -0.00007 -0.00004 0.00002 -0.00001 0.00003 -0.00001 0.00002 -0.00000 -0.00001 0.00001 -0.00002 -0.00005 0.00007 0.00001 -0.00008 0.00006 -0.00003 -0.00002 0.00005 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 -0.00011 -0.00012 0.00061 0.00065 0.00064 -0.00010 0.00001 -0.00017 -0.00007 -0.00014 -0.00004 -0.00015 -0.00003 0.00008 -0.00004 0.00004 0.00000 0.00010 -0.00006 -0.00009 0.00001 -0.00023 -0.00013 -0.00012 -0.00003 0.00066 0.00057 0.00099 0.00090 0.00040 0.00037 0.00011 0.00007 -0.00039 -0.00056 -0.00013 -0.00030 0.00009 0.00027 -0.00002 -0.00001 0.00007 0.00011 0.00012 0.00002 0.00005 0.00007 0.00005 0.00008 0.00010 -0.00012 -0.00012 -0.00004 -0.00004 -0.00002 -0.00003 -0.00019 -0.00014 -0.00017 -0.00030 -0.00025 -0.00028 -0.00025 -0.00021 -0.00023 -0.00003 -0.00017 -0.00009 -0.00024 -0.00010 -0.00024 0.00014 0.00002 0.00027 0.00016 -0.00034 -0.00032 -0.00031 -0.00050 -0.00047 -0.00047 -0.00031 -0.00029 -0.00028 -0.00028 -0.00030 -0.00032 -0.00032 -0.00034 -0.00036 -0.00033 -0.00035 -0.00037 -0.00024 -0.00005 -0.00012 0.00007 -0.00022 -0.00019 -0.00021 -0.00017 -0.00018 -0.00014 -0.00005 -0.00006 -0.00002 -0.00003 0.00025 0.00013 0.00007 -0.00006 0.00003 0.00001 -0.00001 -0.00002 2.51299 2.75691 2.59517 2.58168 2.29303 2.31121 2.79032 2.80596 2.56713 2.70769 2.62428 2.60576 2.47517 2.62092 2.90496 2.89780 2.06174 2.88767 2.06509 2.06303 2.80726 2.05564 2.06136 2.06881 2.06672 2.06573 2.57112 2.86303 2.06254 2.06482 2.90576 2.06832 2.06750 2.71220 2.03849 2.83788 2.07544 2.06984 2.57597 2.03487 2.03702 2.56645 2.03917 2.03701 2.03911 2.51774 2.05979 2.05163 2.05467 2.04950 1.87107 2.05083 2.15388 2.02917 2.15796 2.24798 1.86409 1.84854 1.96847 1.97508 1.87228 1.95489 1.86346 1.81739 1.95946 1.92478 1.86330 1.93704 1.91995 1.85497 1.97839 1.86909 1.91825 1.91224 1.90661 1.87634 2.16748 1.96086 2.15221 2.18125 2.06783 2.03396 1.93820 1.95616 1.92542 1.88080 1.88253 1.87795 2.03999 1.91303 2.33017 1.86916 1.88793 1.89219 1.95391 1.95752 1.90075 1.94070 1.91230 1.90079 1.91712 1.91805 1.87358 1.86239 2.19656 2.22416 1.95559 1.89404 1.92156 1.90206 1.92031 1.86789 1.84212 2.12084 2.32017 1.94229 2.12523 2.21547 1.85337 2.22417 2.20565 1.92489 2.02640 2.33186 1.92732 2.12261 2.23325 2.18610 2.01770 2.07932 2.12244 2.12172 2.03902 0.03910 3.10481 3.08742 0.97847 -1.08013 3.13802 -0.00706 0.00668 3.13991 -0.92637 1.31546 -2.97328 1.87012 -2.17124 -0.17679 -1.06067 3.11148 1.07833 2.40128 0.29025 -1.74290 -2.67088 0.48933 0.12953 -2.99345 0.64695 -2.51199 -2.29750 0.82674 -3.00788 0.14351 -0.02643 3.12497 2.99012 -0.13215 0.01970 -3.10257 -0.00439 3.11665 -0.01314 3.12830 -1.00002 1.16986 -3.10529 3.03088 -1.08243 0.92561 1.05210 -3.06121 -1.05318 0.60166 -2.61505 2.85048 -0.36622 -1.42557 1.64091 -0.99842 1.10624 -3.08471 3.12170 -1.05682 1.03541 1.07380 -3.10472 -1.01248 -1.37709 1.76903 0.70943 -2.42764 2.76066 -0.37641 0.00475 3.13410 -3.14113 -0.01178 -3.07015 1.09046 -0.95411 -1.00358 -3.12616 1.11246 1.13919 -0.98338 -3.02794 3.09568 0.99466 -1.04437 -1.06775 3.11442 1.07538 0.98977 -1.11125 3.13290 -0.00063 3.13896 -3.12972 0.00987 2.09739 -1.03260 -2.08944 1.06375 -0.04644 3.10674 0.02478 -3.11665 -3.12823 0.01352 -0.00375 -3.13496 3.13981 0.00860 -3.13623 0.00693 -0.00661 3.13655 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000027 0.000006 0.002767 0.000564 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -5.025176e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2327.0517988557 48 48 48 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 -0.0582649236 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 3.061717 0.000000 2.248162 4.358161 0.000000 4.645613 4.362682 5.866830 0.000000 2.732547 3.159080 3.603323 2.290420 0.000000 3.747613 4.995718 4.955294 2.284709 2.374386 0.000000 4.405801 6.444847 5.660008 4.394881 4.282106 2.219964 0.000000 2.381294 3.896554 2.422382 3.602346 1.476590 2.877338 4.282379 0.000000 3.706890 4.767686 2.840128 4.373806 2.510265 4.016677 5.509763 1.537241 0.000000 3.432310 2.436827 4.134116 2.740514 1.484881 3.720912 5.699575 2.531851 3.017383 0.000000 1.329848 3.579591 1.213400 4.731917 2.512629 3.853476 4.741518 1.533464 2.545770 3.229974 0.000000 3.596841 4.003215 4.758389 1.223068 1.358447 1.432797 3.606365 2.496919 3.492015 2.415625 3.616184 0.000000 4.918331 5.710100 4.328586 4.097835 2.999846 3.996311 5.664125 2.545294 1.528079 3.512299 3.906173 3.485648 0.000000 3.063973 1.373311 3.736316 4.041416 2.482015 4.723654 6.408205 3.069936 3.608738 1.485553 3.037141 3.598890 4.537943 0.000000 1.458812 3.605317 2.699788 6.003613 4.160078 5.071229 5.333128 3.747008 4.916928 4.656232 2.384117 5.006216 6.248230 3.919538 0.000000 2.392361 3.712268 4.174011 6.174253 4.770850 5.357569 5.432897 4.750907 6.085925 5.208240 3.638471 5.342758 7.284151 4.481381 1.515076 0.000000 3.552083 2.234114 3.523221 5.310456 3.525211 5.822662 7.384707 3.637062 3.809971 2.615479 3.270502 4.783068 4.941846 1.360567 4.085892 4.887086 0.000000 3.773124 4.799745 5.150486 7.683751 6.259919 6.873095 6.753238 6.153181 7.394611 6.580817 4.886121 6.876836 8.680936 5.662000 2.518727 1.537644 5.829700 0.000000 5.085503 6.321712 6.133986 2.874873 3.602318 1.388739 2.258630 4.019992 4.902249 4.869743 5.110063 2.487091 4.505859 6.012785 6.371966 6.615226 7.116816 8.101496 0.000000 3.257003 5.158428 4.667074 3.484637 3.048716 1.378916 1.309782 3.166918 4.526885 4.442616 3.628936 2.535948 4.851095 5.100130 4.346666 4.533428 6.094161 5.971927 2.221971 0.000000 3.828523 2.235534 4.079586 6.235941 4.536048 6.657127 7.991152 4.667998 5.074103 3.718835 3.924222 5.714923 6.297274 2.243611 3.869305 4.429075 1.435236 5.057769 8.014039 6.712509 0.000000 3.535061 1.366161 4.520835 5.719844 4.318659 6.187165 7.440418 4.749036 5.500367 3.593807 4.052957 5.286784 6.631198 2.205032 3.562453 3.674210 2.234119 4.372615 7.548371 6.176341 1.358106 0.000000 5.366853 7.059265 6.462380 4.100286 4.530647 2.191211 1.386935 4.692626 5.693351 5.907506 5.514974 3.569845 5.469016 6.880333 6.470095 6.625396 7.931433 8.013085 1.363127 2.152980 8.705207 8.190473 0.000000 4.910169 5.458227 6.545305 8.215783 7.135034 7.537598 7.315725 7.258488 8.587311 7.404575 6.137447 7.561635 9.779842 6.537003 3.857310 2.520576 6.855408 1.501742 8.691047 6.631829 5.998365 5.077237 8.551919 0.000000 5.953754 6.748475 7.551052 9.202176 8.217987 8.347246 7.808470 8.291552 9.659073 8.606687 7.176375 8.539370 10.827764 7.812893 4.882177 3.589599 8.152818 2.517957 9.395845 7.317041 7.313829 6.409002 9.086521 1.332330 0.000000 2.751459 4.753223 2.894944 3.740443 2.080261 2.367872 3.427257 1.091017 2.126294 3.421573 2.087779 2.557446 2.745228 4.078623 4.071201 5.000922 4.705029 6.415772 3.336045 2.504561 5.659222 5.639438 3.821854 7.485831 8.395031 0.000000 3.933522 4.395091 2.956107 4.731840 2.829028 4.777571 6.396583 2.172921 1.092801 2.777886 2.811948 3.993237 2.173791 3.103455 5.018580 6.197557 3.032649 7.424561 5.758905 5.309569 4.374419 4.987780 6.625102 8.625354 9.778227 3.041835 0.000000 3.979608 5.509679 2.564247 5.337673 3.415485 4.625843 5.761679 2.126703 1.091705 4.027068 2.686040 4.361546 2.160625 4.409618 5.005359 6.319675 4.394004 7.523534 5.441283 4.909513 5.543003 6.079916 6.037531 8.815847 9.826071 2.408031 1.747867 0.000000 4.111396 2.598226 5.139127 2.275400 2.082760 3.834684 5.883337 3.420767 3.991571 1.087789 4.152056 2.434231 4.227699 2.114749 5.295779 5.577723 3.364064 6.951318 4.869434 4.673924 4.270497 3.882327 5.977656 7.580930 8.765508 4.156618 3.807164 5.033058 0.000000 4.216756 3.314307 4.409295 3.218636 2.120784 4.295865 6.352296 2.817656 2.708373 1.090817 3.704197 3.000423 2.970725 2.112987 5.440881 6.157711 2.807360 7.497617 5.290745 5.155307 4.126862 4.300475 6.415825 8.398963 9.614150 3.726859 2.277878 3.757669 1.757024 0.000000 5.113707 6.307215 4.655070 4.157296 3.315294 3.604192 5.023245 2.786082 2.176110 4.175366 4.180443 3.481119 1.094771 5.263026 6.459726 7.446021 5.781299 8.870294 3.857202 4.421168 7.069473 7.287464 4.705185 9.940609 10.898020 2.537514 3.085147 2.522607 4.802014 3.827758 0.000000 5.112449 5.381446 4.911525 3.349539 2.729066 3.820925 5.770717 2.849255 2.188004 2.997763 4.294202 3.024446 1.093665 4.244470 6.505952 7.379169 4.841857 8.823779 4.310326 4.893172 6.214069 6.426248 5.461260 9.809084 10.893579 3.175138 2.546020 3.083111 3.500327 2.384708 1.767785 0.000000 5.819251 6.501903 4.907617 5.061589 4.017908 5.070937 6.675924 3.491086 2.165655 4.312693 4.700975 4.546919 1.093134 5.237861 7.075896 8.199697 5.435485 9.544816 5.484864 5.914651 6.829692 7.326948 6.430155 10.699306 11.766638 3.723443 2.512139 2.488433 5.035651 3.573633 1.768485 1.764674 0.000000 2.076728 3.427405 2.638403 6.476332 4.502803 5.818367 6.317631 4.069386 4.996695 4.693598 2.630179 5.535809 6.425788 3.679457 1.091453 2.173204 3.507232 2.768389 7.161043 5.259196 3.080491 3.032515 7.385177 4.158044 5.279390 4.609195 4.871705 5.070472 5.398998 5.376748 6.797923 6.684152 7.148630 0.000000 2.080658 4.661587 2.692549 6.649933 4.765283 5.391138 5.295694 4.074696 5.167623 5.453395 2.675088 5.558718 6.505962 4.837026 1.092659 2.176666 4.914438 2.833966 6.589229 4.498982 4.772262 4.610643 6.507629 4.230809 5.037023 4.184281 5.401978 5.037913 6.161772 6.158078 6.596949 6.916610 7.292944 1.777024 0.000000 2.649278 4.328293 4.587910 5.985279 4.825168 4.902637 4.632649 4.839001 6.286561 5.508123 3.922039 5.146568 7.352303 5.050244 2.145764 1.094514 5.641388 2.169087 6.042832 3.904246 5.359457 4.550955 5.883573 2.780348 3.557147 4.863875 6.570640 6.516520 5.801510 6.489854 7.359873 7.445635 8.329388 3.068968 2.488275 0.000000 2.574622 2.883920 4.523869 5.669559 4.458731 5.253274 5.676747 4.747829 6.070712 4.659289 3.830769 5.002497 7.192260 3.881516 2.136968 1.094067 4.427725 2.169423 6.547149 4.655375 3.919850 2.919510 6.736212 2.746641 3.964032 5.144922 6.074393 6.478527 4.878020 5.663462 7.447558 7.132318 8.120468 2.521282 3.063089 1.763247 0.000000 4.131518 3.273923 3.510484 5.734679 3.876217 6.207360 7.813210 3.731148 3.464251 3.021826 3.507057 5.180790 4.572170 2.175753 4.720324 5.719734 1.078721 6.648884 7.427553 6.559470 2.259628 3.281458 8.279664 7.773103 9.048976 4.804636 2.500797 3.947581 3.888272 2.829435 5.504100 4.586552 4.869754 4.111257 5.396037 6.446677 5.378326 0.000000 4.031142 4.634056 5.105669 8.037285 6.471925 7.426016 7.545755 6.338266 7.433097 6.582556 4.994091 7.251820 8.795173 5.470217 2.720831 2.154843 5.412682 1.098276 8.722549 6.652551 4.451311 3.915235 8.758732 2.129364 3.207530 6.756974 7.309060 7.555677 7.004074 7.428179 9.107214 8.939001 9.585345 2.515165 3.148943 3.063769 2.508809 6.207993 0.000000 4.113621 5.665857 5.206770 8.283566 6.758769 7.206366 6.815692 6.443119 7.649635 7.235318 5.104088 7.376404 8.963782 6.379506 2.766310 2.172913 6.473277 1.095316 8.373330 6.173538 5.784272 5.262900 8.142087 2.140448 2.646970 6.581441 7.765122 7.630658 7.697652 8.105727 9.072495 9.224856 9.801909 3.102012 2.639064 2.517069 3.075745 7.187125 1.763575 0.000000 5.861089 6.746839 6.780779 2.774148 3.950700 2.156729 3.319611 4.502108 5.134820 5.030107 5.770897 2.762978 4.435990 6.330995 7.216343 7.493309 7.451370 9.004624 1.076805 3.245301 8.453668 8.033656 2.239936 9.585475 10.338736 3.938425 5.941341 5.760543 4.921706 5.289815 3.801602 4.076294 5.320458 7.927710 7.496284 6.986563 7.329938 7.692453 9.570082 9.332623 0.000000 2.333757 4.494738 4.006617 3.884569 2.950128 2.151412 2.138751 2.959061 4.454536 4.224873 2.973907 2.854647 5.101052 4.574009 3.301273 3.471900 5.478339 4.912123 3.248822 1.077947 5.931360 5.369666 3.206937 5.643953 6.384582 2.531131 5.105754 4.791234 4.554791 5.043933 4.848826 5.194826 6.153743 4.250527 3.498580 2.892645 3.667670 6.025838 5.579928 5.128228 4.222741 0.000000 4.585501 3.276155 4.525296 7.304100 5.535939 7.649325 8.886880 5.509245 5.790684 4.744546 4.620962 6.752104 7.077520 3.290507 4.364047 4.960584 2.259949 5.309242 9.011485 7.632177 1.079085 2.178761 9.657507 6.276880 7.558219 6.486156 5.029741 6.122625 5.324998 5.051112 7.875428 7.077303 7.514604 3.401968 5.153641 5.974305 4.566537 2.747025 4.521636 5.964398 9.472536 6.802206 0.000000 4.062745 2.079511 5.287564 6.330097 5.117866 6.749416 7.816652 5.600274 6.480440 4.491265 4.812167 5.946225 7.609558 3.200808 3.811714 3.526391 3.304425 3.947887 8.098435 6.609538 2.241802 1.077945 8.646017 4.397651 5.717784 6.402961 6.029109 7.034321 4.628864 5.279636 8.206318 7.386635 8.349105 3.341953 4.857300 4.426192 2.681066 4.336025 3.454066 4.941519 8.637232 5.747067 2.742853 0.000000 6.389567 8.131691 7.407053 5.008306 5.581368 3.247320 2.158005 5.692650 6.599213 6.948665 6.516307 4.588034 6.257676 7.953123 7.437294 7.560821 8.998173 8.895108 2.198144 3.176425 9.780469 9.262209 1.079047 9.381410 9.815700 4.768656 7.570707 6.874941 6.990875 7.411347 5.394028 6.276919 7.148392 8.379846 7.396234 6.754397 7.717025 9.319559 9.689006 8.960688 2.761037 4.193807 10.726506 9.697813 0.000000 5.101139 5.031469 6.870327 7.934384 7.031180 7.552254 7.571380 7.357916 8.679396 7.130959 6.353535 7.419835 9.813962 6.243293 4.234203 2.839618 6.635656 2.204117 8.722289 6.798552 5.725733 4.654770 8.712883 1.089994 2.092219 7.679937 8.641094 9.031198 7.178992 8.145924 10.041510 9.726788 10.741820 4.442670 4.829557 3.182019 2.622948 7.625244 2.546062 3.091871 9.542861 5.851848 6.054900 3.839002 9.577347 0.000000 6.830574 7.357182 8.538723 9.716885 8.932286 8.973794 8.420797 9.131175 10.530919 9.274428 8.093614 9.155987 11.645780 8.509810 5.847949 4.469226 8.918705 3.505590 9.968568 7.978530 8.045682 7.044937 9.650317 2.114232 1.085677 9.232516 10.643217 10.758772 9.326031 10.311166 11.710310 11.642314 12.610027 6.242016 6.069063 4.371347 4.672239 9.861398 4.116927 3.729711 10.886109 7.105346 8.305194 6.259881 10.341327 2.432209 0.000000 6.148034 7.368299 7.556797 9.670196 8.565712 8.584817 7.828657 8.468842 9.811971 9.080792 7.292666 8.907652 11.008299 8.317803 4.999612 3.905478 8.596603 2.784516 9.590254 7.447934 7.815588 7.033108 9.162272 2.115160 1.087282 8.480920 9.997349 9.864565 9.333985 10.056090 11.014757 11.174023 11.927042 5.448912 4.915421 3.779197 4.522817 9.419488 3.523230 2.458307 10.582381 6.521723 8.018080 6.440980 9.837055 3.073157 1.851041 0.000000 C18H23N3O4 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2679261 0.1702312 0.1297982 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= 688 RedAO= T EigKep= 1.15D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 710 710 710 710 710 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.29037835411 -1165.29037835392 0.000000000188 -1165.29037835 2 1.160424901526e+03 -7.369746311542e+03 2.717034913078e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953476932 LenY= 4952967850 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= 48. Will process 49 centers per pass. Minotr: Closed shell wavefunction. IDoAtm=111111111111111111111111111111111111111111111111 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. 14886 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 4954521600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 364. 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= 780000000 NMat= 144 IRICut= 360 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 147 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 144 vectors produced by pass 0 Test12= 5.48D-14 1.00D-09 XBig12= 2.18D+02 4.36D+00. AX will form 144 AO Fock derivatives at one time. 144 vectors produced by pass 1 Test12= 5.48D-14 1.00D-09 XBig12= 3.98D+01 1.12D+00. 144 vectors produced by pass 2 Test12= 5.48D-14 1.00D-09 XBig12= 3.78D-01 5.30D-02. 144 vectors produced by pass 3 Test12= 5.48D-14 1.00D-09 XBig12= 1.88D-03 4.68D-03. 144 vectors produced by pass 4 Test12= 5.48D-14 1.00D-09 XBig12= 3.93D-06 1.88D-04. 123 vectors produced by pass 5 Test12= 5.48D-14 1.00D-09 XBig12= 7.03D-09 5.52D-06. 37 vectors produced by pass 6 Test12= 5.48D-14 1.00D-09 XBig12= 9.70D-12 2.49D-07. 3 vectors produced by pass 7 Test12= 5.48D-14 1.00D-09 XBig12= 1.36D-14 1.05D-08. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 883 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 322.98 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 345.784 -2.837 340.065 11.845 -8.831 283.105 357.906 -0.549 366.640 20.301 -13.650 324.925 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT169933.400S Wed Jan 12 02:16:34 2022 5.32999810e-01 -1.96677625e+00 4.95585349e-01 3.45784497e+02 -2.83734434e+00 3.40065255e+02 1.18454805e+01 -8.83058508e+00 2.83104919e+02 -0.0002 0.0002 0.0008 5.2388 9.4422 10.9763 22.4699 30.6620 39.2234 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 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 22.3487 30.5148 39.0502 49.4862 54.0957 60.9684 67.6275 70.9141 81.7637 96.6443 101.1484 120.5351 130.6712 139.4734 155.7956 173.0799 196.8246 205.9583 224.8474 241.3226 251.5302 259.4510 279.5130 311.8397 346.8997 366.7478 375.9694 401.9311 419.0192 436.6191 477.7311 517.2731 559.5222 604.2310 610.9888 643.4217 659.3022 663.8116 672.0969 719.4285 750.2712 750.9588 762.2419 773.8590 778.2320 797.4075 837.6453 850.1846 859.9906 875.2212 879.6263 884.8873 893.8162 902.3917 916.0309 919.1000 921.6072 937.4824 946.6425 954.6854 978.2298 996.1931 1020.2617 1027.0239 1032.3133 1041.4317 1047.8571 1055.1597 1084.1708 1090.5280 1100.8556 1105.7194 1119.3884 1139.0214 1157.0533 1175.3755 1177.7903 1207.9231 1234.0825 1235.5852 1245.0408 1248.7927 1273.4739 1282.5291 1298.1282 1301.0827 1309.3778 1311.5770 1318.1084 1318.7436 1329.4968 1351.9935 1372.2390 1375.1804 1382.2150 1399.1459 1406.1472 1421.1363 1428.1988 1437.7441 1444.6749 1472.4620 1473.6678 1489.6134 1490.3837 1494.7725 1504.2678 1506.2954 1508.5139 1526.9212 1550.3809 1634.0378 1683.6584 1693.4606 1731.6321 2998.7023 3023.7550 3036.3054 3046.2452 3057.3398 3060.8457 3077.7126 3078.2715 3086.1323 3089.8325 3094.5283 3108.2434 3110.0468 3113.1975 3119.0438 3142.7175 3199.3636 3239.5684 3244.0412 3251.7617 3264.3688 3271.0279 3280.9664 5.4773 5.5256 5.1998 5.6328 2.8919 3.3282 3.8782 4.6672 5.2354 3.7888 6.2165 4.7491 3.7142 2.5113 2.6790 2.6514 2.2217 3.2396 3.2710 3.7821 4.4642 1.8145 4.6632 5.3427 3.7119 2.5516 3.6291 3.0769 5.4600 3.0033 3.0402 4.5871 4.3825 4.8131 2.9031 3.9623 1.5681 4.3024 3.9039 3.7057 1.3285 1.3243 4.0134 1.3938 2.5908 2.4789 1.3975 2.6445 1.3305 1.9050 1.4343 1.4217 1.4098 5.8606 3.1952 6.0533 3.3566 2.1468 1.3815 2.7905 2.4742 4.1104 1.3727 1.2201 2.8245 1.8573 1.9817 2.2368 1.5202 3.1059 2.4563 2.8489 1.8646 2.7192 1.7337 1.9686 2.9186 2.8724 4.4629 1.3569 1.8373 2.2528 1.7358 1.2705 1.5490 1.4223 1.1537 3.1866 1.2421 1.3811 1.1021 1.7231 1.4053 1.5538 1.5232 2.3651 2.6455 1.2624 1.5159 2.1850 1.1818 1.0742 1.1097 1.0464 1.0946 1.0451 2.9754 1.1319 1.0900 4.5436 4.5105 6.4674 11.4573 4.6483 12.2608 1.0639 1.0367 1.0596 1.0967 1.0585 1.0632 1.1025 1.0989 1.0651 1.0879 1.0969 1.1004 1.0688 1.1090 1.0820 1.1009 1.1156 1.0922 1.0950 1.0989 1.0997 1.1070 1.1055 0.0016 0.0030 0.0047 0.0081 0.0050 0.0073 0.0105 0.0138 0.0206 0.0209 0.0375 0.0407 0.0374 0.0288 0.0383 0.0468 0.0507 0.0810 0.0974 0.1298 0.1664 0.0720 0.2147 0.3061 0.2632 0.2022 0.3022 0.2929 0.5648 0.3373 0.4088 0.7232 0.8084 1.0353 0.6385 0.9665 0.4016 1.1170 1.0390 1.1300 0.4406 0.4400 1.3739 0.4918 0.9245 0.9287 0.5777 1.1262 0.5798 0.8598 0.6538 0.6559 0.6636 2.8118 1.5797 3.0128 1.6797 1.1117 0.7294 1.4985 1.3950 2.4034 0.8419 0.7582 1.7734 1.1869 1.2820 1.4673 1.0528 2.1762 1.7538 2.0522 1.3766 2.0785 1.3675 1.6024 2.3854 2.4693 4.0045 1.2205 1.6781 2.0699 1.6586 1.2313 1.5380 1.4186 1.1654 3.2297 1.2715 1.4151 1.1477 1.8557 1.5591 1.7313 1.7145 2.7279 3.0820 1.5021 1.8218 2.6612 1.4533 1.3723 1.4199 1.3680 1.4325 1.3758 3.9668 1.5132 1.4614 6.2414 6.3878 10.1744 19.1355 7.8541 21.6610 5.6364 5.5848 5.7555 5.9959 5.8292 5.8690 6.1529 6.1354 5.9770 6.1194 6.1888 6.2635 6.0909 6.3331 6.2017 6.4062 6.7279 6.7533 6.7893 6.8463 6.9040 6.9786 7.0118 0.2473 0.6669 0.1763 1.1557 0.1623 0.6819 0.3675 2.7663 4.0199 1.5205 7.2410 1.2101 0.8342 0.0618 0.3088 0.8287 2.3925 1.2425 2.4138 5.9839 13.3512 2.2787 3.5010 12.4541 14.8119 12.1491 12.5755 4.2072 7.2433 18.4753 2.2759 3.0534 17.1119 8.8671 17.7484 5.4217 32.6792 16.6312 34.1289 73.6666 40.1835 132.9863 8.4959 2.3562 34.6513 50.3180 34.3002 36.6971 36.0236 14.8979 5.2968 1.8829 1.3496 3.8018 13.5465 14.8921 14.2684 15.9897 96.8678 3.2816 32.2357 134.5858 77.5298 14.7256 65.5224 10.7875 37.7031 10.9602 81.0047 16.1113 38.0535 11.9736 47.7767 59.6093 49.0591 9.9515 40.2667 22.4019 115.0326 33.0044 22.8823 357.1846 303.7764 0.6418 145.5767 135.9592 2.0102 8.8803 9.3593 38.5562 0.1861 97.4025 4.4703 16.2805 20.8739 77.2417 52.8418 41.2191 54.6272 364.0374 1.6754 26.9550 9.1942 6.7361 0.6467 24.0628 81.3583 34.4580 16.3144 32.0085 19.8203 2.4725 1180.5929 35.5805 445.1400 30.1009 30.3952 30.6092 15.0655 32.9256 19.2543 30.7045 12.4318 11.9518 31.5414 35.4092 46.2724 28.3927 56.4405 7.6295 3.5018 22.2230 2.7113 4.4431 0.6788 39.7681 0.4867 5.7191 0.01 -0.08 -0.02 -0.08 -0.05 -0.03 0.02 -0.05 -0.01 -0.05 -0.03 0.04 -0.02 -0.03 0.02 0.07 -0.00 -0.01 0.21 -0.00 -0.09 0.00 -0.02 0.02 -0.01 0.00 0.04 -0.07 -0.05 0.02 0.01 -0.05 -0.01 -0.01 -0.02 0.02 -0.01 0.03 0.06 -0.06 -0.05 -0.01 0.01 -0.06 -0.03 -0.02 -0.00 -0.01 -0.05 -0.05 -0.02 -0.02 0.10 0.03 0.12 0.06 -0.01 0.13 -0.04 -0.05 -0.05 -0.05 -0.04 -0.07 -0.05 -0.04 0.20 0.06 -0.06 -0.06 0.20 0.06 -0.17 0.27 0.11 0.03 -0.01 0.01 -0.03 -0.01 0.05 0.00 0.01 0.04 -0.10 -0.06 0.02 -0.07 -0.04 0.05 0.01 0.04 0.05 -0.03 0.01 0.06 -0.02 0.05 0.08 0.04 -0.05 -0.06 0.00 -0.08 -0.01 -0.08 -0.03 -0.00 0.03 -0.01 -0.01 -0.04 -0.05 -0.00 0.06 0.13 -0.00 -0.08 0.08 0.04 0.09 0.10 0.02 0.11 -0.09 -0.06 -0.04 -0.05 -0.05 -0.08 -0.05 -0.06 0.26 0.10 -0.08 0.00 0.22 0.05 -0.20 0.34 0.14 -0.24 0.25 0.13 -0.02 -0.01 0.02 0.07 -0.05 0.10 -0.03 -0.03 0.00 0.20 0.12 -0.07 0.03 0.01 -0.02 0.07 0.03 0.02 -0.01 -0.01 0.15 -0.01 -0.02 -0.02 -0.03 -0.03 -0.07 0.04 0.03 -0.04 -0.02 -0.03 0.01 0.11 0.06 -0.03 -0.02 -0.01 -0.10 0.01 -0.03 0.02 -0.02 0.01 0.01 -0.05 0.00 -0.02 -0.07 -0.07 0.02 -0.05 0.07 -0.05 0.07 0.02 0.00 0.02 0.01 0.11 -0.06 -0.11 0.11 0.03 -0.10 0.15 0.02 -0.00 0.08 -0.10 0.03 -0.12 -0.17 0.09 -0.22 -0.02 -0.03 -0.01 -0.03 -0.03 -0.09 -0.05 -0.06 -0.07 0.12 0.07 -0.04 0.00 0.05 -0.11 -0.02 -0.01 -0.08 0.01 0.03 -0.11 -0.04 -0.02 -0.14 -0.01 0.02 0.03 -0.02 0.04 0.00 -0.09 -0.02 -0.05 -0.05 -0.04 -0.00 -0.14 -0.06 -0.03 -0.01 0.09 0.01 -0.05 0.14 -0.09 0.10 0.04 -0.07 0.02 0.01 0.15 -0.12 -0.15 0.13 0.07 -0.12 0.22 -0.00 -0.02 0.09 -0.09 -0.06 -0.08 -0.21 0.06 -0.27 -0.18 0.18 -0.26 -0.06 -0.02 0.08 -0.04 0.07 -0.09 -0.08 -0.01 0.09 0.12 0.01 -0.02 -0.03 -0.04 0.05 0.06 -0.01 0.01 0.07 -0.01 0.00 -0.06 -0.03 0.05 -0.05 -0.04 0.04 -0.01 -0.05 0.07 -0.07 -0.02 0.08 0.05 -0.01 0.01 -0.04 -0.08 0.00 0.03 0.03 0.00 -0.06 -0.02 0.07 -0.08 -0.01 0.06 0.14 0.09 0.01 -0.07 -0.04 -0.01 0.10 0.04 -0.10 0.04 -0.03 0.06 0.13 0.16 -0.08 0.02 0.14 -0.14 0.11 0.04 -0.10 -0.11 -0.08 -0.06 -0.08 -0.08 -0.12 -0.08 -0.03 0.04 -0.02 -0.04 0.06 -0.08 -0.03 0.04 -0.09 -0.08 0.07 0.05 -0.08 0.14 -0.07 -0.09 -0.01 -0.02 -0.09 0.00 -0.04 -0.09 -0.00 -0.06 -0.02 0.05 -0.05 -0.03 0.07 -0.07 0.00 0.10 -0.13 0.02 0.06 0.22 0.08 0.08 -0.09 -0.05 -0.01 -0.01 -0.03 -0.02 0.13 0.07 -0.16 0.01 -0.07 0.14 0.20 0.22 -0.10 -0.03 0.18 -0.22 0.14 0.07 -0.17 -0.16 -0.11 -0.05 -0.12 -0.11 -0.16 -0.03 -0.05 -0.14 0.01 -0.04 -0.08 -0.08 -0.11 -0.11 -0.00 0.13 0.04 0.25 0.06 -0.11 -0.02 -0.02 0.01 0.04 0.00 -0.02 -0.13 -0.02 0.12 -0.01 0.04 0.01 -0.01 0.07 0.07 -0.05 -0.06 0.07 0.00 0.05 -0.00 0.11 0.02 -0.05 -0.01 0.07 0.08 -0.03 -0.04 0.02 0.02 -0.05 -0.09 0.02 -0.06 -0.09 0.02 0.03 0.09 0.02 -0.06 -0.06 -0.00 -0.06 -0.04 -0.04 0.02 0.08 0.01 0.02 -0.01 -0.06 -0.07 -0.13 -0.11 -0.07 0.05 0.02 0.07 0.03 -0.00 0.06 0.17 0.00 0.05 -0.02 -0.02 0.05 0.11 0.01 0.12 0.07 -0.11 -0.12 0.06 -0.03 -0.04 0.15 0.00 0.09 0.05 -0.03 0.03 0.09 -0.01 0.09 0.12 0.00 -0.06 -0.09 0.03 -0.05 -0.09 0.02 -0.06 -0.09 0.04 -0.06 -0.09 0.07 0.10 0.19 0.04 -0.06 -0.16 -0.01 -0.15 -0.01 0.04 -0.08 -0.11 -0.03 0.07 0.11 0.04 0.06 0.00 -0.09 -0.12 -0.24 -0.17 -0.11 0.06 0.06 0.18 -0.02 0.01 0.16 0.24 -0.03 -0.05 0.22 0.01 -0.04 -0.04 -0.02 -0.06 -0.09 -0.05 0.12 0.05 -0.03 0.00 -0.01 -0.00 -0.00 -0.03 0.01 -0.01 -0.01 0.05 -0.03 0.01 -0.01 0.00 -0.03 -0.00 0.00 -0.03 -0.01 -0.01 -0.03 -0.01 0.03 -0.01 -0.01 -0.00 -0.02 -0.00 -0.01 -0.03 -0.01 -0.01 -0.03 -0.01 0.03 0.03 0.03 -0.04 0.01 0.01 0.06 0.05 0.00 0.09 0.14 -0.02 -0.03 0.12 0.05 -0.01 -0.07 0.01 0.05 0.02 -0.01 -0.02 -0.06 0.01 -0.05 0.12 0.06 -0.08 0.06 -0.04 0.02 -0.10 -0.02 0.00 -0.04 0.00 0.00 -0.02 -0.01 0.01 -0.03 -0.01 -0.01 -0.03 -0.01 -0.00 -0.02 -0.01 -0.01 -0.04 0.00 -0.01 -0.03 0.00 -0.01 -0.03 0.00 0.04 0.13 -0.08 0.11 -0.01 -0.03 -0.07 -0.14 0.14 -0.16 0.05 0.02 0.11 0.11 0.04 0.12 0.37 -0.11 0.29 0.06 -0.05 -0.04 0.19 0.07 -0.00 -0.16 0.02 0.08 0.06 -0.02 -0.06 -0.12 0.00 -0.07 0.21 0.19 -0.30 0.14 0.01 -0.12 -0.15 -0.17 0.24 -0.18 -0.04 -0.00 -0.03 0.02 0.00 0.02 -0.05 0.09 0.03 -0.02 0.00 -0.02 -0.01 -0.01 -0.03 0.03 -0.01 -0.01 0.11 -0.03 -0.02 -0.03 -0.01 -0.02 -0.02 -0.03 -0.04 0.01 -0.01 -0.03 -0.04 0.03 -0.00 -0.01 -0.01 -0.02 -0.01 -0.06 -0.06 0.01 0.01 0.01 -0.04 0.01 -0.04 -0.06 0.03 -0.04 0.01 0.05 0.06 -0.04 -0.08 -0.14 0.01 -0.03 0.14 0.09 -0.02 -0.09 0.02 0.07 0.11 0.02 0.04 0.08 0.06 -0.04 0.13 -0.07 0.07 -0.06 0.05 -0.04 0.10 -0.06 -0.02 -0.03 0.01 -0.02 -0.03 -0.03 -0.03 -0.04 0.04 -0.00 -0.03 0.01 -0.02 -0.05 -0.04 -0.07 -0.06 0.00 -0.06 -0.06 -0.00 -0.08 -0.07 -0.02 0.02 -0.06 -0.03 0.00 -0.04 -0.01 0.06 0.05 -0.15 0.11 -0.06 0.00 0.06 0.07 -0.08 -0.10 -0.33 0.04 -0.25 -0.07 -0.04 -0.03 0.23 0.11 -0.03 -0.20 0.02 0.10 0.16 0.03 0.04 0.09 0.07 -0.05 0.22 -0.19 0.28 -0.14 0.02 0.07 0.15 0.17 -0.26 0.18 0.03 -0.02 0.07 0.05 0.01 -0.01 -0.02 -0.11 -0.02 -0.02 -0.04 0.01 0.05 0.03 0.00 -0.01 0.00 -0.02 -0.02 0.02 -0.06 0.02 0.05 0.00 -0.07 0.12 -0.00 0.05 0.02 0.02 0.00 -0.03 0.02 0.00 -0.00 -0.01 -0.04 0.20 -0.06 0.06 0.03 0.02 0.04 -0.12 0.04 0.03 -0.08 0.05 0.07 0.04 0.02 0.05 -0.13 -0.03 -0.06 -0.06 0.08 0.01 0.05 -0.11 0.06 0.03 -0.00 0.05 0.01 -0.02 -0.07 -0.04 0.06 -0.04 -0.03 -0.03 -0.19 0.07 -0.03 0.07 0.08 -0.02 -0.11 0.09 0.03 -0.10 0.13 0.00 0.04 -0.00 0.02 0.06 0.02 0.04 0.01 0.24 -0.11 -0.01 0.16 -0.06 -0.11 0.26 -0.05 -0.00 -0.14 -0.05 0.10 -0.18 0.07 0.05 -0.07 0.14 -0.04 -0.01 0.03 0.08 0.05 0.05 0.04 -0.14 -0.15 0.11 -0.21 -0.01 -0.09 -0.11 0.17 0.04 0.08 -0.18 0.07 0.03 -0.01 0.04 0.00 -0.05 -0.10 -0.07 0.12 0.00 -0.03 -0.03 -0.27 0.16 -0.03 -0.24 0.07 -0.02 0.03 -0.06 -0.02 0.07 -0.05 -0.06 -0.04 0.16 0.11 -0.14 -0.00 0.09 0.03 0.05 0.01 -0.05 0.03 0.04 -0.03 0.04 0.02 0.01 -0.01 0.00 0.05 -0.08 -0.06 0.07 0.09 -0.04 -0.00 0.04 0.04 -0.06 0.03 0.05 0.05 -0.13 -0.07 0.05 0.05 -0.01 0.03 -0.08 -0.03 0.04 -0.12 -0.05 0.00 0.08 0.06 0.04 -0.13 -0.06 -0.00 0.09 -0.08 -0.07 0.01 0.10 -0.00 -0.01 0.05 0.04 -0.09 -0.02 0.01 0.09 -0.09 0.01 -0.03 -0.01 -0.14 0.07 0.05 -0.05 -0.04 0.04 0.10 -0.05 -0.10 0.04 -0.12 -0.05 0.13 0.15 -0.04 0.04 0.08 -0.13 -0.01 -0.17 -0.02 0.07 -0.07 -0.07 0.09 -0.19 -0.12 0.00 -0.09 0.00 0.05 -0.05 -0.04 0.06 -0.12 -0.07 0.03 -0.14 -0.04 -0.02 0.14 0.10 0.06 -0.13 -0.13 0.04 -0.20 -0.03 0.02 0.13 -0.15 -0.10 -0.03 0.18 -0.03 -0.02 0.09 0.06 -0.17 -0.06 0.05 0.13 -0.17 0.10 -0.01 -0.02 -0.17 0.16 0.08 -0.24 0.05 0.06 0.02 -0.03 -0.03 -0.04 -0.08 -0.10 0.06 -0.19 -0.13 -0.08 -0.01 0.01 -0.01 -0.01 -0.03 -0.01 -0.00 -0.01 -0.02 -0.06 0.11 0.02 -0.04 -0.04 -0.02 -0.00 -0.04 -0.02 -0.00 -0.05 0.04 -0.10 -0.07 -0.03 -0.01 -0.01 -0.02 0.09 -0.01 -0.03 0.00 -0.01 0.02 -0.01 -0.02 0.01 0.01 -0.01 -0.00 0.17 0.20 0.01 0.04 -0.00 0.04 0.05 -0.08 -0.04 -0.06 0.10 0.01 0.21 0.25 -0.02 0.04 0.06 0.03 0.01 -0.01 0.01 0.02 -0.01 0.06 -0.00 -0.02 0.08 -0.03 -0.01 -0.09 -0.02 -0.06 0.00 -0.03 -0.04 0.00 0.01 -0.05 -0.04 0.00 -0.07 0.05 0.11 0.00 -0.04 0.11 -0.01 -0.06 0.13 -0.00 0.04 0.00 -0.02 -0.00 -0.01 -0.02 -0.01 0.00 -0.02 0.03 0.01 -0.01 0.02 0.28 0.32 0.02 0.05 0.03 -0.00 0.06 -0.01 0.07 0.10 -0.18 -0.06 -0.10 0.17 0.02 0.33 0.40 -0.02 -0.01 0.00 0.05 0.03 -0.04 -0.01 0.02 -0.01 0.06 -0.03 -0.02 0.08 -0.01 -0.02 0.00 -0.03 0.06 0.05 -0.10 -0.09 -0.05 0.00 0.08 -0.07 -0.04 0.06 0.06 0.03 0.01 -0.00 0.00 0.00 -0.01 -0.00 0.02 0.00 0.01 0.02 -0.05 0.04 -0.03 0.06 0.03 0.01 -0.02 -0.01 0.06 -0.01 -0.01 0.03 -0.03 0.10 -0.10 0.05 -0.01 0.00 0.00 -0.01 0.05 -0.05 0.04 0.04 0.04 0.00 0.02 -0.05 0.13 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.02 0.02 -0.10 -0.06 0.03 -0.16 -0.13 -0.01 0.00 0.00 -0.10 0.14 -0.04 0.17 -0.05 -0.02 0.02 0.02 0.01 -0.08 0.03 -0.02 -0.10 0.03 -0.02 0.07 0.03 0.01 0.05 0.03 -0.00 0.00 0.12 -0.12 0.01 0.11 -0.10 -0.09 0.14 -0.12 0.03 0.00 0.03 -0.00 -0.02 0.06 -0.12 0.01 0.04 -0.05 0.01 0.05 0.04 0.06 0.09 0.01 0.15 0.01 -0.04 0.16 -0.01 0.01 0.01 -0.02 -0.02 -0.01 0.04 0.01 -0.13 -0.08 0.02 -0.24 -0.21 -0.00 0.01 -0.01 -0.33 0.27 -0.08 0.14 -0.07 -0.05 0.41 -0.19 0.02 0.04 -0.05 -0.05 -0.01 0.11 0.10 -0.06 0.17 0.08 -0.15 -0.14 -0.01 0.01 -0.01 -0.04 0.05 -0.02 -0.14 -0.01 -0.20 0.24 0.01 0.04 -0.04 -0.04 0.10 -0.00 -0.01 -0.04 0.00 -0.00 0.05 0.00 -0.04 -0.05 -0.06 -0.03 0.17 -0.01 -0.00 -0.01 -0.01 0.03 -0.02 -0.01 0.03 0.01 0.02 0.01 -0.08 -0.10 0.04 -0.02 -0.01 0.09 0.04 -0.15 -0.01 -0.16 0.10 0.02 0.00 -0.06 0.01 0.12 0.07 0.05 -0.07 0.09 0.02 -0.00 -0.01 -0.01 0.02 -0.02 0.02 0.06 -0.07 -0.08 0.07 0.02 -0.03 0.12 -0.00 -0.05 -0.08 -0.00 0.00 -0.04 0.05 0.04 0.21 -0.06 -0.03 0.13 -0.00 -0.08 0.23 0.03 0.04 -0.02 -0.01 -0.00 -0.03 -0.00 0.04 0.02 0.06 0.01 0.06 -0.00 0.01 -0.18 -0.20 0.03 -0.03 -0.04 0.07 -0.05 -0.00 0.13 0.15 -0.30 -0.04 -0.21 0.14 0.03 -0.02 -0.11 0.01 0.21 0.15 0.07 -0.07 0.15 0.02 -0.01 -0.01 -0.03 0.03 -0.03 -0.02 0.02 -0.02 -0.10 0.23 0.06 0.04 -0.06 -0.03 0.06 -0.08 -0.11 -0.06 -0.05 0.01 -0.00 0.01 0.01 0.03 0.01 -0.06 0.04 -0.06 0.09 -0.03 0.04 0.01 -0.01 0.04 0.03 0.04 -0.00 0.05 -0.02 0.06 -0.01 -0.02 -0.01 -0.01 -0.00 -0.02 -0.02 0.05 0.01 0.05 -0.09 0.23 0.02 -0.04 0.03 -0.09 0.05 0.00 0.04 -0.04 -0.08 -0.04 0.05 0.04 -0.02 0.03 -0.04 0.02 0.03 -0.08 -0.05 0.03 -0.12 -0.10 0.05 -0.01 0.07 0.04 -0.09 0.03 -0.10 0.00 0.09 -0.04 0.04 -0.01 0.03 0.04 0.08 -0.04 0.08 0.03 0.04 -0.03 0.04 0.05 -0.01 0.06 -0.04 -0.02 -0.08 0.03 -0.08 -0.02 0.00 -0.01 0.01 -0.13 0.22 0.16 -0.05 0.36 -0.05 0.06 0.06 -0.21 -0.07 -0.08 -0.03 0.05 0.05 0.10 -0.12 -0.10 -0.05 -0.06 -0.11 -0.02 0.05 0.08 -0.06 0.02 -0.07 0.01 0.02 -0.12 -0.09 0.02 -0.19 -0.17 0.06 -0.01 0.11 0.22 -0.14 0.04 -0.03 0.03 0.15 -0.29 0.05 0.08 0.07 0.07 0.09 -0.11 -0.06 -0.06 -0.00 0.01 0.02 -0.01 -0.02 -0.02 0.03 0.01 -0.03 0.03 0.01 -0.06 -0.02 -0.01 0.02 0.04 0.02 -0.03 0.07 0.00 -0.02 -0.08 -0.02 -0.01 0.04 0.03 0.02 0.02 0.00 -0.03 0.08 -0.10 -0.08 -0.09 -0.05 -0.04 0.06 0.06 0.16 0.07 0.10 0.19 -0.08 -0.01 0.01 0.11 -0.07 -0.00 0.01 -0.01 -0.03 0.01 0.01 -0.02 -0.08 0.01 0.01 -0.09 -0.02 -0.03 -0.02 -0.03 0.02 -0.02 0.03 -0.04 -0.02 0.03 -0.05 0.02 0.01 -0.03 0.13 0.01 0.05 0.02 0.06 -0.02 -0.10 -0.05 -0.01 -0.10 0.01 0.04 0.01 -0.11 -0.14 0.10 -0.17 -0.08 0.11 -0.12 -0.06 0.06 0.06 0.14 0.01 0.03 0.18 0.16 0.14 0.33 -0.08 0.20 0.16 -0.07 0.02 0.04 0.04 -0.11 -0.20 0.29 -0.22 0.04 0.02 -0.02 -0.04 0.02 0.03 -0.03 -0.06 0.05 0.04 -0.10 -0.02 -0.05 -0.05 -0.05 0.05 -0.15 0.11 -0.06 -0.16 0.12 -0.09 0.10 -0.05 -0.03 0.00 -0.01 0.00 0.04 -0.03 -0.06 -0.01 0.04 0.03 0.01 0.02 -0.01 0.02 -0.02 -0.03 -0.01 -0.03 0.03 0.01 -0.01 -0.03 0.02 -0.06 -0.03 0.02 -0.07 -0.05 0.03 0.01 -0.09 0.00 -0.01 -0.00 0.01 -0.01 -0.00 -0.02 0.13 0.20 0.01 -0.01 -0.08 -0.03 0.10 0.08 -0.02 0.04 0.05 -0.01 0.00 -0.04 -0.00 -0.05 -0.01 -0.00 -0.02 0.01 -0.00 -0.02 0.01 -0.01 -0.00 0.01 0.02 -0.02 -0.00 0.01 -0.01 -0.03 -0.03 -0.02 -0.00 -0.04 -0.01 0.01 0.00 -0.07 -0.02 -0.11 -0.06 -0.24 0.20 -0.22 -0.05 0.07 0.07 -0.08 -0.00 0.02 -0.15 0.10 0.10 0.47 -0.16 0.38 0.19 -0.02 0.08 0.11 0.01 0.13 0.20 -0.11 0.20 0.04 0.04 0.06 0.04 -0.08 0.03 0.06 -0.03 0.01 -0.05 -0.05 -0.07 -0.09 0.06 -0.12 0.01 -0.01 -0.03 0.01 -0.01 -0.02 0.01 -0.02 0.01 0.04 0.04 -0.03 0.02 0.01 0.00 -0.05 -0.06 0.02 -0.02 -0.08 0.03 0.02 -0.03 -0.05 0.03 -0.02 0.03 -0.02 0.06 -0.02 -0.00 -0.02 -0.00 -0.06 -0.01 -0.01 -0.05 -0.03 0.03 -0.02 -0.00 0.03 -0.08 0.01 -0.03 0.03 -0.04 0.04 -0.01 0.04 0.00 0.03 0.04 0.04 -0.00 -0.03 0.04 -0.03 -0.02 0.02 -0.05 -0.00 -0.08 0.16 0.04 0.04 0.03 0.00 -0.15 -0.07 -0.02 0.08 0.10 0.01 0.04 0.04 -0.01 0.02 0.06 -0.00 0.04 -0.02 0.00 -0.01 -0.04 0.00 -0.04 0.00 0.03 -0.07 -0.02 0.01 0.00 0.05 -0.03 -0.01 0.02 -0.01 -0.02 -0.04 -0.06 0.03 -0.02 0.06 0.02 -0.01 0.13 -0.01 0.02 0.07 0.03 -0.01 0.04 0.02 -0.03 -0.05 -0.12 0.26 -0.08 -0.02 0.17 0.10 -0.15 0.17 -0.05 -0.19 -0.36 0.08 -0.41 0.06 -0.02 0.09 0.33 -0.04 0.29 0.00 -0.01 0.08 0.06 -0.05 0.00 0.03 0.04 0.00 0.06 -0.01 0.08 -0.03 0.00 -0.03 -0.07 -0.02 -0.07 -0.00 0.04 -0.12 -0.05 0.01 -0.00 0.11 -0.07 -0.04 0.04 -0.04 -0.05 -0.07 0.03 0.01 -0.05 -0.01 -0.02 -0.08 -0.00 -0.04 -0.02 0.05 0.06 0.00 0.01 0.02 0.04 0.01 -0.03 0.02 -0.02 -0.04 0.10 0.01 0.02 -0.02 0.01 -0.03 0.01 -0.03 0.01 -0.00 0.00 -0.03 0.01 0.01 -0.00 -0.02 0.00 -0.02 0.05 -0.00 0.07 -0.10 0.00 -0.04 -0.01 -0.02 0.01 -0.09 -0.04 0.22 0.06 0.01 -0.03 0.01 -0.02 -0.01 0.00 -0.00 -0.02 0.03 -0.01 -0.01 0.06 0.01 -0.02 0.00 0.00 -0.02 -0.01 0.01 0.01 -0.04 0.06 -0.08 0.02 -0.04 -0.01 0.00 0.03 -0.02 0.01 -0.05 -0.01 0.03 -0.09 0.03 0.00 -0.00 -0.02 0.01 0.00 -0.03 0.01 0.05 0.12 -0.21 0.05 -0.02 -0.10 -0.09 0.15 -0.07 0.05 0.02 -0.27 -0.04 -0.17 -0.00 0.05 0.27 0.33 -0.13 0.46 -0.04 0.02 -0.02 0.02 -0.18 -0.07 -0.07 0.07 -0.10 0.03 -0.00 -0.03 0.04 -0.02 -0.01 0.09 0.02 -0.00 0.01 -0.00 -0.02 -0.01 0.03 0.03 -0.11 0.19 -0.18 0.06 0.01 -0.05 0.02 -0.19 0.09 -0.03 -0.02 0.03 0.04 -0.06 -0.01 0.01 0.02 -0.01 0.03 -0.04 -0.06 0.06 0.06 0.02 0.01 0.10 0.04 -0.06 -0.04 0.05 0.02 0.01 -0.01 0.02 0.02 -0.07 -0.09 -0.02 -0.01 0.02 0.00 0.01 0.04 0.05 0.01 0.01 0.01 0.02 -0.03 -0.03 -0.04 0.02 0.00 -0.04 -0.06 -0.04 0.02 -0.04 0.00 -0.02 0.02 -0.05 0.02 -0.01 0.05 -0.03 -0.03 0.05 0.09 -0.02 0.00 0.02 -0.00 -0.04 0.03 -0.00 -0.04 -0.03 0.02 0.02 -0.02 0.01 -0.00 -0.01 0.02 -0.03 -0.03 0.03 -0.01 -0.04 -0.23 0.05 -0.23 -0.08 -0.00 -0.01 0.02 -0.06 0.03 0.02 -0.04 -0.13 0.39 0.01 0.48 -0.07 0.05 -0.21 -0.36 -0.02 -0.06 -0.17 0.09 -0.12 -0.02 -0.06 0.02 0.01 -0.03 0.06 -0.06 0.03 -0.04 0.03 -0.06 0.02 0.03 -0.08 0.05 -0.02 0.07 -0.08 -0.04 0.07 0.14 -0.02 0.03 0.04 -0.01 -0.05 0.06 -0.01 -0.11 -0.08 0.05 0.11 -0.08 0.02 0.07 -0.04 0.05 -0.10 0.04 0.01 0.01 -0.12 -0.08 0.04 -0.01 -0.04 0.03 -0.01 -0.00 -0.08 -0.02 0.07 0.05 0.01 -0.01 0.13 0.07 -0.07 -0.06 0.08 0.03 0.03 0.00 -0.00 0.03 0.05 0.08 0.01 0.00 -0.03 0.02 -0.05 -0.02 0.05 0.02 0.01 0.03 -0.05 0.06 0.01 -0.02 -0.07 -0.05 0.03 0.02 -0.08 0.01 0.00 -0.01 -0.01 -0.05 -0.09 -0.01 0.02 0.06 -0.02 -0.04 0.06 0.14 -0.02 0.00 0.01 0.03 0.03 0.01 0.03 -0.06 -0.02 0.02 -0.09 -0.04 0.02 -0.06 -0.06 0.03 0.08 0.03 -0.02 0.07 0.03 0.19 0.02 0.18 0.07 -0.03 0.01 -0.02 0.02 0.01 -0.00 0.07 0.08 -0.30 0.00 -0.45 0.10 0.02 0.15 0.37 0.04 0.08 0.12 -0.16 0.11 -0.02 -0.07 0.01 -0.02 -0.08 -0.01 0.01 -0.04 -0.00 -0.07 -0.12 -0.02 0.03 -0.09 -0.00 0.02 0.09 -0.09 -0.06 0.09 0.21 -0.00 -0.01 0.03 0.07 0.05 0.01 0.07 -0.15 -0.08 0.05 -0.12 -0.02 0.02 -0.05 -0.06 0.03 -0.04 -0.09 0.04 -0.05 0.18 0.16 0.03 -0.02 -0.09 -0.03 0.02 0.05 -0.00 0.00 0.03 0.04 -0.04 -0.02 0.03 -0.05 0.04 0.00 -0.02 -0.01 0.00 -0.01 -0.00 0.00 0.01 0.03 -0.01 -0.00 -0.09 -0.02 0.07 0.08 0.03 -0.03 0.02 0.01 0.02 0.03 -0.01 -0.02 -0.15 0.03 -0.09 -0.06 -0.02 -0.04 -0.05 -0.06 0.01 -0.08 -0.02 0.04 -0.02 0.03 -0.06 0.00 0.02 -0.02 0.03 -0.05 0.04 0.05 0.01 0.02 0.04 0.01 -0.04 -0.03 0.03 0.00 -0.00 0.02 0.01 0.01 -0.05 -0.01 -0.06 -0.01 -0.00 0.06 0.01 0.06 0.02 -0.05 0.06 -0.08 -0.00 -0.01 -0.10 0.11 0.16 -0.27 -0.04 -0.32 0.06 -0.06 0.24 0.30 -0.11 -0.17 -0.29 0.27 -0.26 0.02 -0.07 -0.05 -0.02 0.01 -0.01 -0.06 -0.11 0.03 -0.11 0.01 0.05 0.06 -0.08 0.09 -0.03 0.04 -0.09 -0.00 0.02 -0.01 0.06 -0.07 0.08 0.15 0.04 0.02 0.12 -0.00 -0.04 -0.07 0.10 -0.04 0.01 0.08 -0.03 0.03 -0.06 0.05 -0.00 0.03 -0.14 0.08 0.03 0.04 -0.02 -0.08 -0.09 0.12 0.05 -0.06 -0.03 -0.01 0.03 0.04 -0.01 0.03 -0.09 -0.00 -0.03 -0.00 -0.02 -0.02 0.05 -0.05 -0.02 0.03 0.01 0.08 -0.01 -0.00 -0.10 0.09 -0.00 0.00 -0.02 -0.05 -0.05 0.04 0.00 0.09 -0.02 0.05 0.06 0.02 -0.03 0.12 -0.04 -0.06 0.07 -0.01 0.01 0.04 -0.12 -0.02 0.02 -0.03 -0.00 -0.01 -0.07 -0.07 -0.01 -0.01 -0.01 -0.03 -0.01 -0.01 -0.01 0.03 0.18 -0.02 -0.05 0.05 0.06 0.02 0.02 -0.01 0.07 -0.04 -0.02 0.02 -0.05 -0.03 0.03 0.01 0.11 0.00 0.02 0.05 -0.04 -0.04 -0.01 -0.05 -0.07 -0.16 0.05 -0.05 0.00 0.13 0.18 0.10 0.04 0.03 0.10 -0.00 -0.01 0.13 0.04 -0.13 0.16 -0.05 -0.11 0.11 -0.02 -0.08 0.01 -0.13 0.03 0.00 -0.11 -0.03 0.04 -0.03 -0.00 -0.03 -0.11 -0.10 -0.05 -0.01 0.01 -0.08 -0.01 -0.01 -0.02 0.10 0.50 -0.17 -0.01 0.26 -0.01 0.12 -0.27 0.19 -0.01 0.03 -0.02 0.00 0.00 0.05 -0.04 0.15 0.01 0.03 0.11 -0.08 -0.05 0.05 0.06 0.05 -0.09 -0.04 -0.03 0.04 -0.10 -0.02 0.09 0.05 0.07 0.11 0.06 0.06 -0.00 0.09 0.00 0.08 0.00 0.05 -0.00 -0.01 -0.00 0.15 0.05 -0.07 -0.03 0.08 -0.05 -0.01 -0.02 -0.01 -0.10 -0.01 -0.02 -0.10 0.07 -0.03 -0.14 0.01 0.04 -0.05 0.02 -0.01 -0.04 -0.11 -0.05 -0.10 0.02 0.01 -0.03 0.00 0.01 0.03 -0.02 0.01 -0.13 -0.05 0.03 -0.08 -0.10 0.05 0.11 0.05 0.07 0.15 0.06 0.11 0.03 0.09 0.06 -0.04 0.12 0.02 0.00 0.08 0.00 0.07 -0.04 0.09 0.28 0.29 -0.11 0.14 -0.09 -0.32 0.03 -0.01 -0.03 0.02 -0.02 -0.01 -0.14 -0.02 -0.04 -0.07 -0.03 -0.02 -0.15 0.11 -0.05 -0.15 0.01 0.11 -0.18 0.07 0.02 -0.08 0.07 -0.00 -0.06 -0.17 -0.10 -0.14 -0.00 0.03 -0.00 -0.04 0.03 0.09 0.02 0.04 -0.18 -0.04 0.03 -0.07 -0.10 0.06 -0.06 -0.13 0.07 -0.00 -0.02 -0.01 0.05 -0.03 -0.06 -0.03 -0.02 -0.02 -0.02 0.01 0.02 -0.01 -0.02 0.00 0.01 -0.02 0.03 -0.00 0.00 0.00 -0.02 0.05 0.01 -0.05 0.12 0.10 -0.00 -0.02 -0.01 -0.02 0.01 -0.01 0.00 -0.01 0.01 -0.04 -0.04 0.00 0.02 -0.02 -0.09 -0.00 0.01 0.01 0.01 0.01 0.00 -0.01 -0.01 -0.07 0.02 -0.00 -0.01 0.01 -0.02 0.01 0.01 0.00 0.03 -0.00 0.01 0.04 0.04 -0.00 0.04 0.00 -0.01 -0.02 0.02 0.01 -0.01 0.01 0.02 -0.01 0.02 0.09 -0.05 0.02 0.10 0.25 -0.12 0.25 0.10 -0.10 -0.02 -0.00 0.04 -0.05 0.05 -0.30 -0.26 0.34 0.10 0.35 -0.05 0.09 -0.38 -0.37 0.01 0.02 0.04 -0.03 0.03 -0.00 0.02 0.01 0.00 0.01 0.01 0.01 -0.05 0.00 -0.09 0.02 -0.00 -0.03 0.03 -0.02 -0.00 0.02 -0.04 0.00 0.01 0.01 0.05 -0.02 0.03 0.10 0.07 0.00 0.09 -0.00 -0.01 -0.04 0.04 0.00 -0.01 0.01 0.02 -0.01 0.00 0.02 -0.01 -0.05 0.04 -0.08 0.06 0.11 0.00 0.12 0.05 -0.03 0.02 -0.07 0.05 -0.11 -0.06 0.09 0.12 -0.03 -0.02 -0.02 -0.01 -0.01 -0.06 -0.08 0.08 -0.10 -0.09 0.03 -0.00 0.06 -0.00 -0.00 0.00 -0.02 0.03 -0.04 0.05 -0.09 0.02 -0.05 0.01 0.19 -0.00 -0.04 0.01 -0.03 0.09 -0.02 0.04 -0.10 0.16 0.01 0.10 -0.05 0.06 0.07 -0.12 -0.04 0.07 0.02 -0.00 -0.12 -0.02 -0.02 -0.01 -0.05 -0.03 -0.02 -0.10 -0.03 -0.01 0.04 0.03 0.02 0.03 -0.05 -0.06 -0.08 0.10 -0.14 -0.09 -0.02 -0.14 -0.15 0.04 -0.01 0.14 0.02 0.07 -0.04 -0.08 -0.03 0.05 -0.06 -0.02 0.04 -0.05 -0.17 0.06 -0.09 -0.09 -0.00 -0.00 -0.08 0.01 -0.03 0.14 -0.00 0.01 0.13 -0.01 0.02 -0.19 0.23 -0.01 0.12 -0.05 -0.01 0.13 -0.09 0.08 0.11 -0.19 -0.05 0.09 0.07 0.03 -0.20 -0.12 -0.05 0.03 -0.17 -0.04 -0.08 -0.14 -0.04 -0.19 0.12 0.01 -0.15 0.07 -0.14 0.22 -0.01 -0.05 -0.06 0.03 -0.02 0.03 -0.10 -0.10 0.15 0.03 0.03 0.10 -0.14 -0.01 -0.01 0.01 0.10 -0.09 0.11 -0.11 0.01 0.04 0.04 -0.05 -0.05 0.11 -0.10 -0.10 0.01 -0.00 -0.02 0.04 0.01 -0.00 0.05 -0.02 -0.00 0.03 -0.10 -0.00 -0.02 0.01 -0.12 -0.13 -0.03 0.01 -0.04 0.06 -0.01 0.01 0.03 -0.11 -0.11 0.07 -0.04 0.05 -0.08 0.20 -0.01 -0.06 0.05 -0.10 0.06 0.03 0.06 0.05 0.04 0.07 -0.01 0.13 0.10 0.00 0.02 0.03 0.02 0.03 -0.04 -0.06 -0.07 0.14 -0.13 -0.08 -0.09 -0.12 -0.21 0.01 -0.10 0.02 0.06 -0.00 -0.00 0.07 -0.02 0.04 -0.08 -0.09 -0.05 -0.02 -0.17 0.07 0.01 -0.07 -0.00 -0.04 -0.03 -0.00 -0.03 0.10 0.00 -0.01 0.10 0.01 -0.01 0.03 -0.13 -0.13 0.08 -0.04 -0.01 0.07 -0.07 0.06 -0.12 0.29 0.01 -0.07 -0.01 -0.17 0.07 0.13 0.18 0.07 0.11 0.16 0.03 0.13 0.22 -0.11 0.07 0.02 -0.10 0.04 -0.11 0.16 0.01 -0.04 -0.01 -0.02 -0.04 -0.09 -0.01 0.01 0.03 -0.01 -0.02 0.05 -0.09 0.05 0.22 0.12 0.01 -0.01 -0.05 0.04 0.02 -0.05 -0.02 -0.01 0.08 0.00 -0.09 0.09 -0.07 0.08 0.15 -0.05 -0.01 0.02 0.01 0.07 0.01 0.03 -0.16 -0.09 0.06 -0.04 -0.05 0.03 -0.02 0.02 -0.04 0.02 0.01 -0.01 -0.01 -0.04 0.02 0.02 -0.02 0.03 -0.00 -0.06 0.02 -0.00 -0.06 0.03 -0.00 0.03 -0.02 -0.06 0.05 -0.02 0.02 -0.04 -0.04 -0.01 0.01 0.02 0.00 0.01 -0.02 0.01 0.10 -0.02 -0.06 0.11 -0.09 -0.05 0.06 -0.06 0.32 0.29 -0.04 -0.13 0.27 -0.26 -0.28 -0.13 0.01 -0.27 -0.24 0.08 0.03 -0.14 0.22 -0.00 0.03 -0.00 -0.05 0.04 -0.04 0.05 0.02 -0.03 0.05 0.02 -0.02 0.04 -0.06 0.04 0.01 -0.03 -0.00 0.02 -0.05 0.04 -0.00 -0.07 0.02 -0.01 -0.07 0.04 0.04 0.06 -0.04 -0.08 0.08 -0.03 0.04 -0.02 -0.07 -0.08 0.03 0.02 -0.07 0.02 -0.06 0.08 -0.00 -0.02 -0.02 -0.02 -0.05 0.04 0.02 -0.04 -0.11 -0.04 -0.05 0.02 -0.06 0.03 0.10 0.07 0.02 -0.01 -0.02 0.03 0.01 -0.01 -0.01 -0.01 0.07 -0.00 0.06 -0.02 -0.11 -0.05 -0.03 0.18 -0.05 0.03 -0.02 0.03 0.00 0.01 0.03 0.00 0.01 0.02 0.04 -0.06 -0.03 0.01 -0.02 0.01 0.01 -0.01 -0.04 0.04 -0.04 0.01 -0.01 0.01 -0.01 -0.02 0.02 -0.01 -0.02 0.03 -0.04 -0.00 0.02 0.02 -0.02 0.03 0.01 -0.00 -0.01 0.01 0.01 0.02 0.01 0.01 -0.02 -0.07 0.03 0.03 0.06 0.01 -0.21 0.11 -0.15 -0.10 -0.43 -0.29 0.17 0.10 -0.03 0.59 0.11 0.04 -0.01 -0.09 -0.06 0.03 0.04 0.07 0.12 -0.02 0.02 0.01 -0.07 0.03 -0.03 0.03 0.02 -0.01 0.02 0.02 -0.01 -0.10 0.08 -0.06 0.01 -0.02 -0.03 0.02 -0.05 0.02 -0.01 -0.02 0.03 -0.01 -0.02 0.04 -0.08 -0.01 0.07 0.05 -0.04 0.07 0.02 0.01 -0.04 -0.02 0.02 0.01 -0.02 0.01 -0.04 0.05 0.03 -0.02 0.08 0.02 0.05 0.04 0.02 0.00 0.21 0.06 0.04 -0.07 0.12 -0.04 0.04 0.02 -0.07 -0.01 -0.01 0.00 -0.00 -0.02 -0.01 0.02 -0.02 -0.04 -0.12 0.01 -0.10 -0.05 -0.07 0.08 0.09 -0.02 0.03 -0.00 0.03 -0.05 -0.19 -0.07 0.02 0.02 0.03 -0.01 0.08 -0.01 0.04 -0.01 -0.00 0.01 -0.01 0.04 -0.00 -0.04 0.04 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.00 -0.01 -0.02 0.00 0.02 -0.02 0.01 -0.00 -0.01 -0.01 -0.04 -0.03 -0.04 -0.04 -0.05 0.04 0.07 -0.01 -0.03 -0.16 -0.01 -0.08 -0.09 -0.01 -0.09 -0.32 -0.31 0.06 0.08 -0.08 0.42 -0.26 -0.11 0.05 -0.31 -0.11 0.03 -0.05 -0.13 0.11 0.08 -0.02 0.00 0.12 -0.04 0.05 -0.06 -0.02 0.01 -0.03 -0.02 0.02 -0.04 0.06 -0.00 -0.03 0.05 0.08 -0.04 0.12 -0.05 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.03 -0.04 0.00 0.04 -0.05 0.02 0.00 -0.01 -0.01 -0.00 -0.04 -0.04 0.03 -0.01 0.12 -0.13 -0.10 0.08 0.02 0.02 -0.07 -0.00 -0.00 -0.01 0.04 0.06 -0.11 0.05 -0.11 0.03 -0.01 -0.01 0.04 0.00 0.00 0.02 0.00 0.02 0.01 -0.03 0.03 0.00 -0.01 -0.01 -0.02 0.01 0.02 0.00 -0.02 0.07 -0.08 0.01 -0.02 0.03 -0.01 0.00 -0.01 -0.00 0.00 -0.01 -0.03 -0.09 0.16 -0.06 -0.08 0.14 -0.01 -0.00 -0.01 -0.02 0.09 -0.11 0.01 0.00 0.02 0.00 0.02 0.03 -0.01 0.01 0.00 -0.00 0.01 0.00 0.01 0.02 0.00 0.04 0.00 -0.15 0.01 -0.01 0.06 -0.06 0.01 0.00 -0.00 0.01 -0.07 0.00 -0.06 -0.01 0.05 0.07 0.01 -0.01 0.01 -0.07 0.00 0.01 -0.02 -0.02 -0.01 -0.00 -0.02 0.02 0.01 -0.09 -0.11 0.18 -0.13 -0.11 0.17 -0.16 -0.12 0.16 -0.17 -0.11 0.17 -0.01 -0.00 -0.01 0.06 0.12 0.02 0.04 0.22 -0.18 0.00 0.00 0.03 0.00 0.02 0.04 -0.01 0.01 0.01 -0.00 0.01 0.01 0.01 0.02 -0.02 0.33 -0.11 -0.12 0.32 -0.02 0.27 -0.35 -0.02 0.10 -0.08 -0.05 -0.04 -0.00 -0.08 -0.04 0.12 -0.02 -0.00 -0.10 0.28 -0.01 -0.04 0.11 0.07 0.02 -0.03 -0.04 -0.00 -0.12 -0.04 -0.07 0.10 0.14 0.04 -0.03 0.00 0.01 0.11 0.09 -0.04 0.04 0.07 -0.03 0.09 -0.01 0.07 0.02 -0.02 -0.01 -0.05 -0.01 -0.11 -0.04 0.06 -0.05 -0.06 0.06 0.03 -0.08 -0.05 -0.00 -0.03 -0.04 0.01 -0.10 -0.09 0.03 -0.09 -0.07 0.05 0.01 0.03 0.02 0.02 0.03 -0.01 -0.13 -0.04 0.06 0.05 0.02 0.07 0.07 -0.04 -0.13 0.06 0.19 0.09 0.04 -0.16 0.04 -0.20 0.01 0.02 0.17 0.10 -0.03 0.13 0.02 0.14 0.07 -0.08 0.09 -0.01 -0.02 -0.01 0.10 -0.00 -0.12 -0.04 0.12 -0.19 -0.01 0.04 -0.06 -0.06 0.08 -0.10 -0.05 0.06 0.07 -0.11 -0.05 0.02 -0.03 -0.16 0.03 -0.14 0.01 0.05 -0.14 -0.14 0.03 -0.10 -0.12 0.08 0.08 0.09 0.02 0.08 0.06 -0.02 -0.15 0.00 0.20 -0.02 0.03 0.15 -0.07 -0.07 0.01 0.21 -0.10 -0.09 0.01 0.00 -0.01 0.04 0.03 0.09 0.03 0.03 -0.01 -0.03 -0.02 0.12 -0.01 -0.09 -0.02 0.01 0.01 0.00 0.03 0.01 0.05 -0.08 -0.07 0.01 0.02 0.03 0.00 -0.05 -0.03 -0.01 -0.06 0.00 0.03 -0.01 -0.04 0.02 0.00 0.01 0.00 0.02 0.01 -0.12 -0.05 0.04 -0.09 -0.07 0.04 -0.01 0.04 0.04 -0.05 -0.07 -0.04 -0.02 0.04 0.03 -0.02 0.02 0.01 -0.03 -0.01 -0.02 -0.02 -0.01 -0.02 0.00 0.04 0.01 0.06 0.07 0.10 0.10 0.10 -0.08 0.08 -0.05 -0.10 -0.01 -0.04 0.20 0.00 0.20 0.02 -0.07 -0.17 -0.05 0.02 -0.03 0.11 -0.01 -0.02 0.04 0.04 0.04 0.01 0.03 -0.03 -0.03 -0.17 -0.07 0.06 -0.13 -0.05 0.04 -0.09 -0.07 0.07 -0.15 -0.06 0.04 -0.03 0.06 0.04 -0.04 -0.09 -0.29 -0.04 -0.32 0.08 -0.03 0.06 0.04 -0.02 0.01 0.02 -0.03 -0.04 -0.06 -0.02 -0.04 -0.04 0.01 0.05 0.00 0.21 -0.02 0.12 0.15 -0.16 -0.21 0.12 0.37 -0.20 -0.11 0.02 -0.03 -0.01 0.02 0.02 -0.02 -0.00 0.03 -0.02 0.07 0.02 0.17 0.05 -0.04 -0.02 0.01 -0.02 0.00 -0.03 -0.01 0.02 -0.13 -0.02 -0.02 -0.07 0.11 0.02 0.01 0.01 -0.04 -0.07 -0.00 0.04 0.03 -0.00 0.04 0.01 0.01 -0.00 -0.00 0.00 -0.09 0.00 -0.04 0.08 0.01 0.05 -0.01 0.01 0.02 0.11 0.06 0.01 -0.02 0.02 -0.04 -0.01 -0.02 -0.05 -0.01 -0.00 -0.01 -0.02 0.00 -0.01 -0.01 -0.01 0.01 0.02 -0.03 -0.14 -0.04 -0.03 0.05 0.02 -0.13 -0.00 -0.04 -0.14 0.33 -0.06 0.18 0.10 -0.06 -0.09 -0.01 0.02 0.06 0.16 0.09 0.03 0.02 0.13 0.09 -0.01 -0.08 0.04 -0.10 -0.14 -0.02 -0.07 -0.11 -0.05 -0.02 0.11 0.02 0.02 0.13 0.03 0.03 -0.01 0.02 0.03 0.16 0.10 0.24 0.15 0.30 -0.11 -0.02 0.04 -0.05 -0.01 -0.04 -0.09 -0.01 -0.01 -0.03 -0.02 -0.00 -0.02 0.00 -0.01 0.06 -0.04 0.03 -0.16 -0.02 0.20 0.21 -0.14 -0.27 0.17 0.15 0.08 -0.01 -0.01 -0.01 -0.01 -0.14 0.07 -0.11 0.03 0.08 0.11 0.09 0.04 0.05 -0.03 0.01 -0.02 0.00 -0.06 -0.02 0.03 -0.14 -0.02 -0.07 -0.13 0.12 0.02 0.06 0.05 0.04 0.02 -0.17 0.03 0.04 0.10 -0.06 -0.00 0.00 -0.00 -0.00 0.01 0.14 -0.00 0.06 -0.05 -0.01 -0.04 -0.00 -0.02 -0.01 -0.10 -0.03 -0.02 -0.02 0.02 -0.10 -0.00 -0.03 -0.10 0.00 0.00 0.00 -0.00 0.01 0.01 -0.02 -0.05 0.03 -0.04 0.02 0.10 0.01 0.00 -0.02 0.03 -0.17 0.07 -0.14 -0.21 0.29 -0.14 0.07 0.11 -0.03 0.03 0.05 0.01 0.09 0.11 0.01 0.02 0.01 0.03 0.07 -0.02 -0.19 0.04 -0.10 0.13 -0.01 0.02 0.19 0.00 0.05 -0.11 -0.03 -0.01 -0.11 -0.05 -0.01 0.00 -0.01 0.00 -0.13 -0.05 -0.18 -0.14 -0.20 0.06 0.01 0.05 -0.16 0.01 -0.05 -0.20 0.01 0.02 0.01 -0.01 0.02 0.01 -0.01 -0.06 0.12 0.03 -0.05 0.12 0.05 -0.19 -0.12 0.05 0.19 -0.11 -0.04 0.00 -0.02 0.02 0.05 0.04 -0.01 -0.01 0.02 0.08 0.09 0.19 -0.01 -0.13 0.04 -0.07 -0.01 0.04 -0.00 -0.06 -0.00 0.06 0.06 -0.02 0.05 0.14 -0.13 -0.03 -0.13 -0.08 0.00 -0.01 0.01 0.04 -0.03 0.19 -0.01 -0.01 -0.01 -0.00 -0.02 -0.04 -0.06 -0.00 -0.02 0.00 -0.01 0.02 0.00 0.05 0.04 0.02 0.00 0.00 -0.01 0.09 -0.17 -0.01 -0.01 -0.16 -0.01 -0.01 -0.01 0.00 -0.02 -0.02 -0.03 -0.03 0.08 0.01 0.00 -0.02 0.00 0.00 0.00 0.14 0.12 -0.11 0.05 0.19 -0.27 0.08 -0.04 -0.13 -0.03 -0.02 -0.05 -0.02 -0.16 -0.14 -0.14 -0.07 0.01 -0.15 -0.10 0.02 0.21 -0.10 0.13 -0.08 -0.01 -0.01 -0.08 -0.01 -0.01 0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 0.07 0.05 0.03 0.01 0.02 0.03 0.03 -0.01 0.04 0.18 -0.32 0.03 -0.00 -0.35 -0.03 -0.06 -0.06 -0.00 -0.07 -0.06 -0.03 -0.05 0.23 0.01 0.01 -0.02 0.01 0.03 0.02 -0.02 -0.02 0.01 0.07 -0.10 -0.02 0.00 0.06 0.05 0.06 -0.07 -0.08 -0.03 0.04 0.01 0.14 -0.05 -0.05 -0.02 -0.01 -0.00 0.00 0.01 0.00 -0.17 0.09 0.09 -0.03 -0.11 0.10 0.02 -0.13 -0.12 -0.10 0.27 0.15 0.08 -0.04 -0.03 0.01 0.01 0.00 -0.00 -0.08 -0.10 0.08 0.00 0.02 0.00 0.02 -0.03 -0.00 0.09 0.10 -0.01 0.00 -0.00 -0.02 0.04 0.00 -0.03 0.00 -0.01 -0.03 -0.04 -0.06 -0.01 0.01 0.00 -0.00 0.03 0.01 -0.01 -0.01 0.02 -0.01 -0.01 0.00 -0.53 0.02 -0.13 0.03 -0.06 0.01 -0.03 -0.16 0.10 -0.02 -0.10 -0.11 -0.00 -0.10 -0.08 0.14 0.08 -0.05 0.14 0.06 -0.02 -0.21 0.12 -0.10 0.17 0.04 0.10 0.02 0.09 -0.02 -0.02 0.02 -0.01 -0.00 0.01 -0.02 -0.01 0.18 0.18 -0.04 -0.01 -0.02 -0.02 -0.02 0.01 -0.03 0.07 0.00 -0.03 -0.00 -0.02 -0.05 -0.13 -0.16 -0.01 -0.02 -0.02 0.01 0.04 0.03 -0.03 -0.00 0.02 -0.04 -0.01 -0.02 0.02 0.00 -0.01 0.01 -0.01 -0.00 0.01 0.09 0.11 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 0.01 -0.00 -0.01 0.01 0.01 -0.01 -0.01 -0.01 0.03 0.01 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.01 0.00 -0.02 -0.10 -0.11 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.03 0.16 0.19 -0.03 -0.14 -0.18 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.05 0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.02 0.01 -0.02 -0.01 -0.01 0.02 -0.02 0.01 0.02 0.01 -0.00 0.01 0.01 -0.00 -0.02 0.01 -0.01 0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.06 -0.28 -0.33 -0.01 -0.00 -0.01 0.01 -0.01 0.00 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.04 0.22 0.26 -0.09 -0.46 -0.55 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 -0.03 0.01 -0.04 -0.04 -0.08 0.03 -0.01 -0.01 -0.02 -0.04 -0.09 0.02 0.00 -0.05 -0.07 -0.12 0.22 0.03 0.08 -0.05 -0.04 0.00 -0.02 -0.00 -0.02 0.01 0.11 0.01 0.05 -0.03 0.03 0.03 -0.07 -0.06 -0.05 0.01 0.00 0.00 0.05 0.09 0.11 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.04 -0.05 -0.05 -0.00 -0.00 -0.00 0.12 0.06 -0.15 0.05 0.08 -0.02 -0.04 0.03 0.01 -0.03 0.03 0.01 -0.06 -0.05 0.16 0.02 -0.01 0.00 -0.00 0.01 -0.00 -0.10 -0.01 -0.05 0.01 -0.03 0.06 0.00 0.05 0.01 0.16 -0.07 0.03 0.13 -0.01 0.06 0.05 0.02 0.01 0.02 0.03 -0.00 -0.04 0.03 -0.02 0.03 0.00 0.02 0.01 0.01 0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.01 -0.09 -0.09 -0.14 -0.02 -0.00 0.04 -0.02 0.02 -0.01 0.27 0.23 -0.54 0.10 0.17 -0.14 -0.02 0.10 0.07 -0.01 0.09 0.10 -0.15 -0.13 0.26 -0.03 0.03 -0.01 -0.08 0.06 -0.02 0.05 -0.03 0.01 0.01 -0.01 0.02 0.00 -0.00 0.00 0.01 0.02 -0.02 0.01 -0.00 0.02 -0.01 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.00 -0.02 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.03 0.05 -0.09 0.01 -0.02 0.00 -0.00 -0.00 -0.02 -0.01 -0.02 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.16 -0.08 0.01 0.01 0.05 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.02 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.02 -0.00 -0.04 0.05 -0.12 -0.01 0.01 -0.16 -0.02 0.00 0.01 -0.00 -0.00 -0.15 -0.03 0.26 -0.13 0.17 -0.08 -0.02 -0.02 0.03 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.01 -0.03 -0.16 0.22 -0.09 -0.52 0.45 -0.13 0.36 -0.21 0.08 0.00 -0.01 -0.01 -0.05 -0.03 -0.12 0.01 -0.01 -0.01 -0.01 0.07 0.05 0.03 -0.10 -0.01 0.01 0.02 -0.04 -0.07 -0.08 0.19 -0.01 -0.00 -0.02 0.00 0.01 -0.01 0.18 -0.08 0.04 -0.01 0.04 0.03 0.05 -0.05 0.02 -0.00 0.00 0.00 0.09 0.13 0.17 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.07 -0.07 -0.05 0.00 0.00 0.00 -0.06 -0.01 0.09 0.01 0.03 -0.14 -0.09 0.04 0.01 -0.06 0.04 0.01 0.06 0.09 -0.14 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.05 0.02 -0.11 -0.00 0.01 -0.03 0.02 -0.01 -0.01 0.30 -0.12 0.02 0.23 -0.16 -0.02 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 0.00 0.01 -0.01 0.02 -0.01 0.01 0.00 0.01 0.01 0.01 -0.01 -0.18 -0.13 -0.22 0.01 0.00 -0.02 0.01 -0.01 0.01 -0.12 -0.04 0.23 0.05 0.07 -0.27 -0.05 0.13 0.08 -0.02 0.12 0.17 0.16 0.20 -0.37 0.01 -0.02 0.01 0.04 -0.03 0.01 -0.03 0.01 -0.01 -0.00 0.01 0.00 0.03 0.02 0.07 -0.00 0.01 0.01 0.00 -0.05 -0.07 -0.00 0.07 -0.01 -0.04 -0.07 0.17 -0.08 -0.06 0.22 0.00 0.00 0.02 -0.01 -0.02 0.02 -0.09 0.07 -0.01 0.01 -0.02 -0.01 -0.09 -0.00 -0.02 0.00 -0.00 -0.00 -0.06 -0.08 -0.10 -0.00 0.00 -0.00 0.00 0.00 0.00 0.04 0.04 0.03 0.00 0.00 0.00 0.04 -0.03 0.02 0.11 0.11 -0.19 0.05 -0.02 -0.00 0.03 -0.02 -0.00 0.04 0.03 -0.11 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.00 0.06 -0.00 -0.02 0.04 -0.02 0.00 0.02 -0.17 0.07 -0.00 -0.13 0.12 0.04 0.02 0.01 -0.00 0.01 0.01 -0.00 -0.03 0.01 -0.02 -0.00 0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 0.00 0.11 0.08 0.13 0.00 0.00 -0.01 0.00 -0.00 0.00 0.13 0.03 -0.20 0.22 0.24 -0.49 0.03 -0.07 -0.05 0.01 -0.07 -0.10 0.11 0.13 -0.43 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 -0.00 0.01 0.07 -0.06 -0.02 0.06 0.01 -0.09 0.00 0.02 -0.05 0.07 -0.11 0.07 -0.03 0.07 0.01 -0.03 -0.03 -0.00 0.05 0.00 0.11 0.03 0.17 -0.02 0.01 0.05 0.17 -0.05 0.06 0.09 -0.06 -0.06 -0.07 -0.13 -0.06 -0.03 -0.00 -0.00 0.05 -0.12 -0.12 -0.03 -0.00 -0.00 -0.02 -0.02 0.02 -0.04 0.01 0.06 -0.02 -0.00 -0.01 0.04 0.01 0.02 -0.02 0.02 0.02 -0.07 0.01 -0.01 -0.06 0.03 0.00 -0.00 0.03 0.02 0.03 -0.01 -0.00 0.01 0.01 -0.00 0.30 0.10 0.20 -0.10 0.09 -0.34 0.04 -0.43 0.07 0.16 0.05 0.08 0.17 -0.08 -0.04 -0.19 -0.03 -0.11 0.09 -0.11 -0.01 0.01 -0.06 -0.03 -0.08 -0.02 -0.03 -0.05 -0.04 0.02 -0.04 -0.02 0.02 -0.05 -0.03 0.03 -0.09 0.14 0.13 -0.03 -0.00 0.04 -0.03 0.02 -0.02 0.02 0.05 0.02 -0.01 0.06 0.06 -0.05 -0.06 -0.15 -0.06 -0.15 -0.15 -0.03 0.01 0.01 -0.00 0.03 -0.02 -0.07 0.06 -0.02 0.05 -0.02 0.01 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.02 -0.01 -0.00 0.03 -0.01 -0.01 -0.02 0.00 0.00 -0.02 0.02 0.01 0.01 -0.01 0.01 0.01 -0.05 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.05 0.03 -0.10 0.00 0.00 0.02 -0.00 0.01 0.01 0.00 0.04 0.05 0.02 0.01 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.02 -0.02 0.02 -0.02 0.06 -0.02 0.08 -0.02 -0.00 0.00 0.01 0.02 0.01 0.03 0.03 0.00 0.03 -0.03 0.02 0.00 0.01 0.01 0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.01 -0.04 -0.05 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.24 -0.27 0.65 0.06 0.06 -0.13 -0.03 -0.18 -0.23 -0.05 -0.22 -0.27 -0.14 -0.16 0.34 -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 0.02 0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 -0.00 -0.01 -0.01 0.02 -0.00 0.00 0.02 0.02 0.01 0.02 -0.00 -0.00 0.01 -0.02 -0.01 -0.01 0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.01 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 0.03 0.02 -0.06 -0.00 0.00 0.01 0.00 -0.02 -0.03 -0.01 -0.08 -0.09 0.01 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.01 0.02 -0.02 0.01 -0.05 0.01 -0.07 0.02 -0.01 0.00 -0.01 -0.03 0.00 -0.02 -0.03 -0.00 -0.02 0.02 -0.02 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.02 -0.01 0.01 -0.01 0.01 -0.00 0.03 -0.02 0.02 -0.01 0.03 0.10 0.12 0.01 0.00 0.02 -0.01 0.01 -0.01 -0.14 -0.14 0.37 0.03 0.04 -0.09 0.06 0.34 0.42 0.08 0.40 0.48 -0.08 -0.09 0.20 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 0.03 -0.02 0.01 -0.04 -0.03 -0.03 0.00 0.02 -0.10 -0.06 0.02 -0.04 -0.02 -0.01 -0.05 -0.05 0.10 0.01 -0.01 0.01 0.03 0.04 0.09 -0.02 -0.00 0.08 -0.10 -0.03 -0.04 0.04 -0.05 -0.03 0.35 0.13 -0.17 -0.02 -0.00 0.01 -0.02 0.07 0.07 -0.01 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.02 -0.02 -0.01 0.00 -0.00 -0.03 0.04 -0.05 -0.04 -0.01 -0.01 0.03 0.01 0.02 0.04 0.02 0.04 0.01 0.02 -0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.15 0.09 0.10 -0.09 0.08 -0.31 0.11 -0.39 0.09 -0.01 0.00 -0.04 -0.12 -0.04 -0.13 -0.14 -0.00 -0.15 0.22 -0.08 -0.01 -0.07 -0.03 -0.09 -0.03 -0.01 -0.04 -0.01 -0.03 0.02 -0.02 -0.01 -0.02 -0.00 -0.04 0.03 0.01 -0.17 -0.22 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.12 0.01 0.14 0.02 0.04 -0.22 -0.03 -0.16 -0.14 0.01 -0.11 -0.12 -0.02 -0.03 0.17 0.00 0.01 -0.00 -0.02 0.02 -0.00 0.01 -0.00 0.00 0.02 0.02 -0.03 0.01 -0.02 -0.01 -0.02 -0.03 0.01 0.01 0.01 -0.01 0.03 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 0.05 -0.01 0.02 -0.00 -0.01 0.01 -0.05 -0.01 -0.03 0.03 0.05 0.03 -0.04 -0.02 0.01 -0.02 -0.00 -0.00 -0.02 0.04 0.04 -0.02 -0.02 -0.03 0.01 -0.06 -0.02 0.01 0.01 -0.01 -0.01 -0.04 -0.02 0.01 -0.00 0.01 0.00 0.00 0.00 0.02 0.00 0.01 0.02 0.00 0.01 -0.00 0.00 0.00 -0.01 0.02 0.01 0.01 0.01 0.00 0.02 -0.01 0.01 -0.02 -0.02 0.00 -0.03 -0.03 0.01 -0.03 -0.01 -0.03 -0.07 0.01 -0.02 -0.03 -0.01 -0.00 -0.03 -0.01 -0.00 -0.01 -0.01 0.00 -0.09 -0.01 0.28 -0.03 0.25 -0.15 0.17 0.03 0.49 -0.25 0.39 -0.18 0.01 -0.10 -0.13 0.18 0.05 0.27 -0.24 0.21 -0.10 0.01 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.08 -0.06 0.01 -0.03 -0.04 -0.00 0.00 -0.02 0.03 0.04 -0.00 0.02 -0.05 -0.02 0.04 0.05 -0.02 -0.02 -0.02 0.07 -0.01 0.05 0.03 0.04 0.05 -0.02 -0.03 -0.02 0.03 -0.09 -0.02 0.02 -0.02 -0.01 0.03 0.01 -0.01 0.00 -0.08 0.00 -0.06 0.01 0.02 -0.03 0.13 0.03 0.08 -0.05 -0.08 -0.06 0.13 0.07 -0.05 0.03 0.00 0.01 0.04 -0.10 -0.10 0.03 -0.01 -0.00 0.02 -0.03 -0.05 -0.02 -0.03 0.02 0.01 -0.03 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 -0.01 -0.04 0.00 -0.01 -0.04 0.01 -0.02 0.00 -0.00 -0.01 -0.03 0.02 0.01 -0.00 -0.00 0.00 -0.04 -0.00 -0.01 0.04 0.01 0.05 0.02 0.13 -0.04 0.07 0.03 0.09 0.17 -0.01 0.06 0.07 0.01 0.03 0.00 0.03 0.01 0.03 0.02 0.02 0.01 0.00 0.22 0.08 0.21 -0.11 0.19 0.06 0.37 -0.17 0.34 -0.19 -0.02 0.23 0.29 0.18 0.04 0.20 -0.18 0.16 -0.07 -0.03 0.01 0.00 -0.00 -0.01 -0.05 0.02 0.11 0.06 -0.03 -0.02 -0.01 0.01 -0.00 0.03 0.02 0.01 0.01 0.05 -0.09 -0.01 0.01 0.06 -0.02 0.04 0.03 -0.09 0.00 0.01 0.01 -0.04 -0.08 0.03 -0.04 -0.01 -0.01 -0.08 -0.04 0.04 -0.01 -0.02 0.02 0.00 0.00 0.00 0.12 -0.05 0.00 0.03 -0.03 -0.08 0.03 0.04 0.05 0.07 0.14 0.11 0.10 0.02 -0.06 -0.04 -0.01 -0.03 0.00 -0.03 -0.03 -0.04 0.00 -0.02 -0.02 -0.01 0.04 -0.01 -0.02 -0.01 -0.02 0.00 -0.00 -0.01 0.01 0.00 -0.02 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.01 0.00 0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.04 -0.12 0.02 0.11 -0.14 0.42 -0.29 0.39 -0.07 0.06 0.10 0.06 0.02 0.02 -0.03 0.15 -0.00 0.22 -0.41 0.10 0.00 0.05 0.04 0.17 -0.06 -0.01 -0.04 -0.11 -0.04 0.00 -0.07 -0.04 -0.04 0.01 -0.09 0.07 0.01 0.13 0.16 -0.06 -0.01 -0.03 0.03 -0.03 0.01 -0.01 0.04 -0.01 0.00 0.03 -0.07 0.01 0.05 0.04 -0.01 -0.03 -0.04 0.01 0.01 0.01 0.00 0.01 -0.01 -0.03 0.05 -0.00 0.01 -0.02 0.01 0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.02 0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.03 0.00 0.01 -0.00 0.00 -0.01 -0.00 0.03 -0.02 -0.04 -0.01 0.01 0.04 -0.01 0.01 -0.01 0.01 0.04 0.03 -0.02 0.02 0.02 -0.01 0.01 0.01 -0.00 0.03 0.03 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 -0.07 -0.10 -0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 -0.03 -0.03 0.01 0.05 0.06 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.07 -0.13 0.01 -0.14 0.15 -0.14 0.03 -0.02 -0.06 -0.02 0.02 -0.00 0.03 -0.15 -0.01 -0.12 0.18 -0.07 -0.00 -0.01 -0.05 -0.08 -0.01 -0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.01 0.00 0.01 -0.00 0.00 0.10 0.46 0.54 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 -0.01 0.01 0.00 -0.02 0.03 0.20 0.26 -0.05 -0.25 -0.32 0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.03 0.01 -0.04 -0.02 -0.01 0.02 -0.01 -0.05 0.03 0.03 -0.06 0.03 -0.11 0.06 -0.06 -0.01 0.07 0.03 0.01 -0.03 -0.01 0.06 -0.02 -0.08 -0.01 -0.01 0.05 0.12 0.01 -0.05 0.04 0.08 0.07 -0.05 0.15 0.04 -0.03 0.01 0.02 0.05 -0.05 -0.05 -0.04 0.00 -0.02 -0.01 -0.01 0.02 -0.01 -0.00 0.09 -0.01 -0.00 0.00 -0.03 -0.02 -0.02 0.05 -0.02 0.04 -0.02 0.02 0.02 -0.05 -0.01 -0.04 -0.01 -0.05 -0.02 0.01 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.04 -0.05 -0.19 -0.02 -0.16 0.21 -0.17 0.04 -0.17 -0.26 -0.08 0.29 -0.04 0.29 -0.20 -0.01 -0.16 0.25 -0.08 -0.01 -0.07 -0.05 -0.13 -0.05 -0.00 -0.01 -0.06 -0.00 -0.02 -0.03 -0.02 -0.00 0.01 -0.02 0.02 -0.07 -0.23 -0.20 -0.02 -0.01 -0.01 0.01 -0.01 0.01 0.01 -0.10 -0.05 0.10 0.02 -0.17 0.03 -0.07 -0.21 -0.03 0.18 0.17 0.03 -0.02 -0.04 0.00 0.00 -0.01 -0.00 0.03 0.01 -0.00 -0.01 0.01 0.00 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.03 -0.01 -0.02 0.03 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 -0.00 0.01 0.01 0.01 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.02 0.05 0.05 -0.12 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.02 -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.01 -0.03 -0.00 -0.02 0.03 -0.02 0.00 -0.02 -0.02 -0.00 0.02 0.00 0.03 -0.03 -0.00 -0.02 0.03 -0.01 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 -0.01 0.01 -0.01 0.03 0.03 -0.09 -0.24 -0.27 0.76 0.00 -0.01 -0.01 -0.00 0.02 0.01 -0.15 -0.17 0.44 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.02 0.02 0.00 -0.01 0.01 0.01 -0.00 -0.03 -0.02 0.02 -0.01 0.01 -0.07 0.02 0.01 -0.04 -0.02 -0.01 0.01 0.00 0.03 -0.10 -0.07 -0.00 0.04 0.00 -0.03 0.10 0.11 -0.03 0.07 0.03 0.03 -0.06 -0.02 0.02 0.04 0.02 -0.03 -0.02 -0.02 0.01 -0.05 -0.02 -0.00 -0.00 -0.02 0.00 0.03 -0.00 0.01 0.06 0.03 0.02 0.02 0.01 -0.02 0.00 -0.01 0.01 0.02 0.02 0.02 -0.02 -0.02 -0.00 0.02 0.02 0.02 -0.02 -0.00 -0.00 -0.01 -0.01 -0.05 -0.11 -0.14 -0.24 -0.01 -0.14 0.21 -0.05 -0.01 0.02 0.18 0.12 -0.07 0.09 -0.04 -0.28 -0.04 -0.14 0.20 -0.13 0.01 0.16 -0.12 -0.05 -0.03 -0.04 0.28 -0.01 0.23 -0.15 -0.18 -0.06 0.10 0.15 0.11 -0.09 0.02 -0.04 -0.06 -0.11 0.00 -0.23 0.14 -0.17 0.12 -0.02 0.05 0.05 -0.03 0.02 0.04 -0.05 -0.15 -0.14 0.03 0.12 0.12 0.02 0.05 -0.06 -0.07 -0.07 0.03 -0.03 0.11 0.04 -0.06 -0.10 0.03 -0.00 0.03 0.01 -0.00 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.01 0.00 -0.00 0.03 -0.01 -0.00 0.02 0.01 0.00 -0.00 0.00 -0.00 0.05 0.04 0.00 -0.02 -0.00 0.01 -0.05 -0.05 0.01 -0.04 -0.02 -0.01 0.03 0.01 -0.01 -0.02 -0.01 0.02 0.01 0.01 0.00 -0.07 -0.03 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 -0.00 0.09 0.04 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.01 -0.01 -0.02 -0.01 0.01 0.01 0.01 -0.00 -0.03 0.03 -0.02 -0.00 -0.00 -0.01 -0.02 0.05 0.05 0.09 0.12 0.01 0.07 -0.11 0.02 0.01 -0.01 -0.09 -0.06 0.03 -0.05 0.01 0.14 0.02 0.08 -0.11 0.07 -0.00 -0.07 0.06 0.03 -0.07 -0.05 0.38 -0.01 0.31 -0.21 -0.25 -0.10 0.17 0.19 0.16 -0.12 -0.01 0.00 0.01 -0.16 0.01 -0.31 0.18 -0.23 0.16 0.03 -0.01 -0.08 0.02 0.00 -0.05 0.03 0.09 0.09 -0.02 -0.07 -0.07 -0.04 -0.06 0.13 -0.09 -0.10 0.03 -0.05 0.17 0.06 -0.08 -0.14 0.05 -0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.01 0.01 -0.02 0.00 0.01 0.01 0.00 -0.02 -0.01 -0.00 0.01 -0.00 -0.01 0.01 0.02 -0.01 0.01 0.00 -0.01 -0.02 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.03 -0.04 0.08 -0.03 -0.02 0.07 0.00 0.01 0.01 0.00 -0.00 -0.00 0.05 0.05 -0.12 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.02 -0.03 -0.00 -0.02 0.03 -0.00 -0.00 0.02 0.03 0.02 -0.03 0.01 -0.02 -0.04 -0.01 -0.02 0.02 -0.02 0.00 0.03 -0.02 -0.00 0.02 0.01 -0.05 0.00 -0.04 0.03 0.04 0.02 -0.03 -0.02 -0.02 0.01 0.00 0.01 0.01 0.02 -0.00 0.04 -0.02 0.03 -0.02 0.16 0.15 -0.40 0.13 0.15 -0.44 -0.01 -0.03 -0.03 0.01 0.02 0.03 -0.23 -0.26 0.62 0.01 0.01 -0.00 0.01 -0.02 -0.00 0.01 0.02 -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 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.03 -0.01 -0.00 0.01 -0.00 0.01 0.03 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.06 0.08 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.02 -0.08 -0.10 0.01 0.05 0.05 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.03 -0.02 -0.05 -0.00 -0.02 0.04 -0.00 -0.01 -0.04 0.03 0.02 0.03 0.02 0.03 -0.06 -0.01 -0.02 0.03 -0.03 0.00 0.05 -0.03 -0.00 0.01 0.00 -0.01 0.00 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.06 -0.36 -0.41 0.01 0.00 0.01 -0.01 0.01 -0.01 0.00 0.02 -0.01 0.00 0.01 -0.01 0.07 0.45 0.54 -0.05 -0.22 -0.30 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.15 -0.15 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 0.01 0.02 -0.00 -0.00 -0.00 -0.02 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.09 0.08 0.00 0.00 0.00 0.00 0.00 -0.00 -0.21 -0.08 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.23 0.27 -0.18 0.30 0.12 -0.15 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.02 0.01 0.00 0.00 -0.03 -0.01 0.00 -0.03 -0.06 -0.01 -0.02 0.01 0.05 0.02 0.00 0.02 -0.03 0.01 -0.00 0.00 0.01 0.01 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.19 -0.28 0.27 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.47 0.10 -0.10 0.34 0.11 -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 -0.09 0.06 -0.11 -0.06 -0.13 0.11 -0.00 -0.02 0.04 -0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.06 -0.05 0.08 -0.03 0.05 -0.04 0.06 0.06 -0.09 -0.02 -0.04 0.02 0.02 -0.03 -0.00 0.07 0.02 -0.00 0.01 0.07 -0.03 0.15 -0.01 0.06 0.06 0.00 0.01 0.01 0.05 -0.06 -0.01 0.08 -0.11 0.01 -0.00 0.01 -0.02 -0.00 0.00 0.04 0.00 0.01 -0.01 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.03 0.07 -0.03 -0.05 0.05 -0.06 -0.04 0.06 -0.05 0.03 -0.02 -0.10 0.03 -0.03 -0.29 -0.14 -0.09 0.27 -0.03 0.26 -0.04 -0.04 0.05 -0.04 -0.06 0.02 0.27 -0.06 0.11 0.03 -0.05 0.10 0.04 0.03 0.04 -0.06 -0.04 0.07 -0.02 -0.02 0.04 -0.00 0.13 0.00 -0.02 0.07 -0.14 0.02 0.05 -0.10 0.01 0.03 -0.01 -0.00 0.02 -0.08 -0.05 -0.09 -0.00 -0.16 0.24 -0.13 -0.02 -0.01 0.01 0.03 0.06 0.04 -0.30 -0.19 -0.21 0.15 0.18 -0.07 0.02 -0.01 0.02 -0.03 -0.05 0.05 -0.00 0.01 -0.00 0.00 -0.01 0.00 -0.01 -0.01 -0.01 0.14 -0.03 0.06 -0.25 -0.26 -0.20 0.00 0.04 0.00 0.01 -0.01 0.01 0.03 0.04 -0.02 0.01 -0.01 -0.01 0.02 -0.01 -0.01 -0.02 -0.01 -0.00 0.00 0.02 -0.02 -0.03 0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.03 -0.02 -0.00 -0.02 0.03 0.15 0.16 0.12 0.10 -0.15 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.17 0.28 0.03 0.00 0.01 -0.02 0.01 0.01 -0.01 0.02 0.05 -0.01 0.08 0.02 0.01 -0.01 -0.02 0.01 -0.10 -0.03 -0.02 0.10 -0.00 0.10 0.07 0.02 0.01 -0.02 0.04 -0.01 -0.11 0.04 -0.02 -0.01 0.01 -0.02 -0.01 -0.00 -0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.04 -0.02 -0.00 -0.02 0.03 -0.01 -0.02 0.03 0.31 -0.13 0.04 0.24 0.21 0.05 -0.02 -0.03 0.01 -0.07 0.10 -0.06 0.06 0.41 0.29 -0.01 -0.02 -0.01 0.07 0.05 0.05 -0.04 -0.05 0.02 -0.06 0.04 -0.10 0.08 0.16 -0.14 0.00 -0.03 0.05 0.00 -0.02 -0.01 0.01 0.05 -0.01 0.02 0.03 0.03 -0.04 -0.06 -0.04 -0.03 -0.05 -0.01 -0.02 0.03 -0.02 -0.07 -0.08 0.06 -0.02 -0.01 0.04 -0.03 0.07 -0.00 0.05 0.02 0.01 -0.00 -0.07 0.05 0.11 -0.01 0.04 0.05 0.00 0.02 -0.01 -0.08 0.08 -0.00 0.07 -0.10 0.00 0.02 0.01 0.06 -0.03 0.01 -0.04 0.00 -0.00 -0.00 -0.01 0.01 -0.04 0.03 -0.00 -0.01 -0.03 0.06 -0.03 -0.05 0.05 -0.06 -0.09 0.05 -0.13 -0.02 -0.01 0.03 0.05 -0.02 0.28 0.06 0.05 -0.28 0.02 -0.25 -0.10 -0.03 -0.04 0.08 -0.07 0.02 0.16 -0.07 0.02 0.01 -0.04 0.07 0.01 0.02 0.03 -0.05 -0.04 0.05 -0.01 -0.02 0.04 0.01 -0.13 0.07 -0.01 0.07 -0.12 0.03 0.06 -0.10 0.05 -0.09 -0.01 0.09 0.02 -0.01 0.09 0.10 -0.05 0.19 -0.29 0.18 0.03 0.07 0.04 0.03 0.06 0.03 -0.29 -0.18 -0.20 0.13 0.19 -0.07 -0.01 -0.05 0.05 0.01 0.01 -0.01 -0.01 0.03 -0.08 -0.01 -0.02 -0.03 0.00 0.05 0.03 -0.00 0.02 0.02 -0.00 -0.02 -0.01 0.04 -0.11 0.13 -0.03 0.04 -0.03 0.01 -0.05 -0.08 -0.06 0.06 -0.01 -0.00 0.05 -0.02 0.08 0.07 -0.02 0.02 0.01 0.02 0.00 -0.00 0.01 -0.03 0.01 -0.03 -0.01 -0.03 0.01 0.01 -0.04 0.06 -0.01 0.00 -0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.03 -0.00 0.04 -0.04 -0.01 -0.17 0.25 -0.24 -0.06 0.02 -0.23 -0.00 -0.01 -0.06 -0.11 -0.08 0.05 -0.05 0.05 -0.24 -0.10 0.08 -0.16 -0.16 0.03 0.55 -0.16 0.22 0.06 0.02 -0.03 0.04 -0.01 0.02 0.04 0.04 -0.04 -0.02 0.01 -0.03 -0.00 0.01 0.06 0.01 -0.04 0.07 -0.04 -0.03 0.06 0.01 -0.06 -0.00 0.02 -0.02 0.03 0.05 0.02 -0.04 0.00 -0.03 0.01 0.02 0.02 -0.00 -0.03 -0.05 -0.00 0.24 0.04 0.13 0.00 -0.17 0.06 -0.01 0.02 -0.03 0.00 0.00 -0.00 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 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 0.04 -0.03 0.01 -0.13 0.10 -0.03 -0.01 0.02 -0.03 0.02 0.01 -0.01 0.03 0.01 -0.00 0.01 0.01 0.01 -0.01 0.01 -0.01 0.03 0.01 -0.01 0.03 0.02 -0.00 -0.05 0.02 -0.02 -0.00 -0.01 0.03 0.00 0.02 -0.01 -0.04 -0.02 0.02 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.04 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.05 -0.04 0.02 0.49 -0.36 0.12 0.60 -0.44 0.14 0.01 -0.08 0.13 -0.01 -0.01 0.01 0.00 0.04 -0.09 -0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.13 0.01 0.02 0.04 -0.03 0.03 0.01 -0.01 -0.01 -0.03 0.06 -0.02 0.00 0.01 -0.01 -0.07 -0.00 -0.02 0.00 0.01 -0.00 -0.14 -0.04 -0.00 0.03 0.04 -0.03 0.00 0.00 -0.01 0.10 0.10 -0.12 -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 -0.04 0.07 -0.09 -0.05 0.09 0.17 0.01 0.06 0.05 -0.02 0.03 -0.02 -0.07 0.04 -0.01 -0.01 -0.01 0.03 -0.02 0.01 -0.04 0.00 0.01 -0.12 0.02 -0.02 -0.08 0.02 0.00 -0.08 -0.02 0.06 -0.12 -0.03 -0.01 0.01 0.03 -0.10 0.11 0.05 -0.05 -0.01 0.01 -0.00 0.12 0.10 -0.14 0.24 0.14 -0.16 -0.01 -0.01 0.00 -0.01 -0.01 0.06 -0.01 -0.01 0.00 -0.02 0.02 -0.02 0.01 0.00 -0.00 0.11 0.10 0.01 -0.23 -0.49 -0.27 0.37 0.20 -0.08 -0.01 -0.01 0.01 0.07 0.06 -0.07 -0.00 0.00 -0.00 0.00 0.02 0.03 -0.03 -0.03 -0.01 0.01 -0.07 -0.04 -0.01 0.04 0.01 0.00 0.01 0.02 0.01 0.00 0.01 -0.02 0.15 -0.12 0.01 -0.00 -0.01 0.04 -0.08 0.01 -0.01 -0.01 -0.01 0.00 0.00 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.13 0.10 0.00 0.00 0.00 0.09 -0.01 0.03 -0.10 -0.01 -0.04 0.00 0.00 -0.00 -0.07 0.01 0.01 0.02 0.03 0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.04 -0.05 0.06 0.03 -0.02 -0.00 -0.05 0.01 -0.50 -0.10 -0.12 0.15 0.13 0.35 0.03 0.01 0.01 -0.04 0.02 -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 0.10 -0.18 0.19 0.01 0.00 0.00 0.01 0.00 -0.00 0.05 0.09 0.05 -0.11 0.00 -0.02 0.37 0.21 -0.24 0.07 -0.19 0.15 -0.09 -0.03 -0.03 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.25 0.06 0.04 0.00 0.00 -0.00 -0.01 -0.02 0.05 0.01 0.00 0.02 0.02 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.20 0.01 -0.01 -0.15 0.00 -0.04 -0.00 -0.00 -0.00 0.10 -0.06 -0.01 0.00 -0.02 0.00 0.17 0.03 0.03 -0.00 -0.00 0.00 -0.23 -0.00 -0.12 0.01 -0.02 0.07 -0.00 -0.00 -0.00 -0.02 0.01 -0.03 0.02 -0.00 0.01 -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 -0.01 -0.02 -0.00 0.04 -0.34 -0.04 -0.03 -0.28 -0.05 -0.02 -0.22 0.04 -0.04 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.01 -0.05 0.05 0.11 -0.10 0.05 0.39 -0.09 0.12 -0.14 0.03 0.01 -0.14 0.04 -0.13 -0.04 -0.04 -0.03 0.18 0.01 0.03 -0.00 0.00 -0.00 -0.06 -0.00 0.01 0.15 0.07 -0.09 0.02 0.01 0.01 -0.02 -0.00 -0.03 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.03 -0.01 -0.01 0.12 0.14 -0.08 -0.11 -0.18 -0.12 0.17 0.15 -0.05 -0.00 -0.00 0.00 -0.04 0.05 -0.03 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.11 0.01 -0.03 0.00 0.00 0.00 0.04 -0.01 0.01 -0.03 -0.01 -0.02 -0.08 -0.01 0.02 0.00 -0.02 0.01 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.03 -0.06 -0.03 0.06 0.01 0.07 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.62 -0.28 0.14 0.00 0.00 -0.00 0.00 0.00 0.00 0.04 -0.01 0.01 -0.04 -0.03 -0.02 -0.54 -0.28 0.31 0.02 -0.04 0.04 -0.04 -0.02 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.01 -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 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.04 -0.02 -0.03 0.01 0.02 0.04 0.00 -0.00 0.00 -0.05 -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 0.05 -0.03 -0.04 -0.01 0.03 0.02 0.02 -0.00 0.01 0.02 0.00 0.00 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.02 0.00 -0.01 0.04 -0.01 0.13 0.01 0.13 -0.10 -0.11 -0.03 -0.04 0.21 -0.03 0.04 0.00 -0.00 0.00 -0.25 -0.11 0.21 0.12 0.07 -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 -0.34 0.52 -0.24 0.23 -0.28 -0.00 -0.15 0.35 -0.11 -0.01 -0.00 -0.00 -0.01 -0.02 0.02 -0.00 -0.00 0.00 0.01 -0.01 0.03 -0.04 0.12 0.03 -0.02 -0.03 -0.02 -0.01 0.05 0.01 -0.00 -0.01 -0.01 0.05 -0.01 -0.03 0.00 -0.12 -0.01 0.01 0.00 0.00 -0.00 0.06 0.00 -0.04 0.03 0.02 0.02 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.03 0.02 -0.01 0.00 0.00 0.00 0.23 -0.05 0.07 -0.19 -0.05 -0.10 0.02 -0.00 -0.00 0.03 0.01 -0.01 0.02 0.05 0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.10 -0.14 0.24 -0.06 -0.10 0.11 0.22 0.21 -0.05 0.21 -0.05 -0.01 -0.09 -0.06 -0.11 -0.19 0.01 -0.12 0.13 -0.05 0.00 -0.05 -0.05 -0.10 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 -0.26 0.16 -0.09 0.01 0.00 -0.00 0.00 0.00 0.00 0.29 -0.15 0.07 -0.27 -0.22 -0.13 0.02 0.00 -0.00 -0.02 0.07 -0.06 -0.28 -0.12 -0.15 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.03 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 -0.04 -0.00 -0.00 -0.00 0.00 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 0.03 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.02 0.04 -0.14 -0.02 -0.08 -0.00 0.00 -0.00 0.17 0.05 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.05 0.07 -0.03 -0.02 -0.01 -0.00 0.02 -0.04 -0.05 -0.00 -0.02 -0.06 -0.02 -0.00 0.02 -0.00 0.00 -0.01 0.01 -0.01 0.06 -0.00 0.02 0.03 0.00 0.01 0.02 0.00 0.01 -0.00 0.01 -0.10 0.03 -0.08 0.08 -0.12 -0.00 0.04 -0.39 0.01 -0.06 -0.02 0.01 -0.01 0.33 0.09 -0.09 0.14 -0.03 0.05 0.01 -0.00 0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.59 0.18 0.02 0.23 -0.16 0.09 -0.31 0.07 -0.03 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 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.08 -0.02 0.08 0.19 0.00 -0.04 0.00 0.00 -0.00 -0.12 0.07 -0.07 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 0.06 -0.05 0.06 -0.01 0.01 -0.05 0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.01 -0.00 0.01 -0.16 -0.06 -0.03 -0.12 -0.22 0.18 0.41 0.09 0.01 0.06 0.10 -0.07 0.00 -0.00 0.00 -0.06 0.08 -0.20 -0.37 -0.14 0.06 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.49 0.10 0.04 0.18 0.09 0.13 -0.25 -0.11 0.03 0.06 0.02 -0.00 0.01 -0.01 0.00 -0.01 -0.00 0.02 -0.02 0.01 -0.03 0.03 0.01 0.06 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.11 -0.05 0.06 0.19 0.01 -0.04 -0.00 -0.02 -0.05 0.02 -0.04 -0.02 0.01 -0.04 -0.01 -0.13 0.06 -0.01 0.00 0.02 0.01 -0.04 0.01 -0.01 -0.02 -0.01 -0.00 0.01 -0.01 0.00 0.02 0.02 -0.00 -0.07 0.02 -0.02 0.06 0.02 0.03 -0.01 0.00 -0.00 -0.02 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.01 -0.01 -0.00 -0.00 -0.37 -0.20 0.18 0.16 -0.05 0.15 0.45 0.33 -0.07 -0.12 0.03 -0.03 0.05 -0.04 0.03 -0.38 0.01 -0.18 0.05 -0.06 -0.02 -0.06 -0.06 -0.13 -0.02 0.01 -0.04 -0.00 -0.02 0.01 -0.00 -0.01 0.02 -0.07 0.01 -0.01 0.10 -0.04 0.05 0.07 0.03 -0.04 0.02 -0.01 0.01 -0.10 0.08 -0.01 0.10 0.08 0.02 0.02 0.02 -0.03 -0.01 -0.02 0.02 0.09 0.04 0.05 -0.08 0.01 0.01 0.02 -0.01 0.01 -0.04 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.02 0.04 0.02 0.00 -0.07 -0.03 -0.09 -0.03 -0.04 0.02 0.01 -0.01 -0.02 -0.01 -0.02 0.00 -0.03 -0.02 -0.00 0.01 0.00 0.00 0.02 0.01 0.01 -0.01 0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.04 0.04 0.04 0.02 0.03 0.02 0.00 -0.00 0.00 0.02 0.00 -0.00 0.08 -0.08 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.04 -0.01 0.07 -0.06 -0.04 0.03 0.00 0.05 -0.02 0.02 -0.02 -0.02 -0.00 -0.02 -0.01 0.02 0.01 -0.03 0.09 0.00 0.01 -0.03 -0.00 -0.03 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.05 0.02 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 -0.30 0.80 0.19 0.10 0.27 0.12 -0.03 -0.03 0.03 0.00 0.02 -0.02 -0.09 -0.19 -0.11 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.16 0.11 -0.06 0.00 -0.00 0.01 0.01 -0.00 0.02 -0.01 -0.04 -0.08 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.04 0.01 0.02 0.09 -0.02 0.08 0.01 0.08 -0.00 0.01 -0.03 -0.01 -0.00 0.00 0.01 -0.04 0.06 -0.08 0.03 -0.04 0.02 0.00 0.02 -0.02 -0.00 -0.02 0.02 -0.08 -0.06 0.07 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.09 -0.06 0.04 0.24 -0.01 -0.03 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.13 0.01 -0.10 0.12 0.02 -0.03 -0.04 -0.20 0.10 0.00 -0.13 -0.05 -0.03 0.16 0.13 -0.19 -0.05 0.09 -0.33 -0.06 -0.03 0.23 -0.03 0.14 0.01 0.02 -0.04 0.02 0.01 -0.02 0.00 -0.02 0.04 -0.03 -0.01 0.02 -0.41 0.12 -0.05 0.03 0.02 -0.03 -0.00 -0.01 0.00 -0.02 0.05 0.01 -0.00 -0.00 -0.01 -0.22 -0.26 0.25 0.13 0.16 -0.15 -0.02 -0.02 -0.01 -0.03 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 0.02 -0.02 -0.08 0.05 -0.03 -0.01 -0.01 -0.00 -0.01 0.01 -0.02 -0.00 0.01 0.07 0.00 0.00 0.01 0.01 0.01 0.01 0.02 -0.02 0.02 -0.07 0.04 -0.11 -0.00 0.00 -0.06 0.02 0.02 0.01 0.02 -0.04 -0.01 0.03 -0.06 0.09 0.03 0.00 0.01 -0.03 -0.09 0.09 0.01 0.09 -0.10 -0.04 -0.05 0.04 0.04 -0.04 0.02 -0.04 -0.01 -0.02 0.01 0.00 0.00 0.04 -0.03 0.02 0.11 -0.00 -0.01 -0.00 0.02 0.01 -0.03 0.02 -0.02 0.01 -0.00 0.00 0.07 -0.03 0.12 -0.07 0.00 0.04 0.11 0.26 -0.14 -0.17 0.03 -0.03 0.06 -0.02 0.06 0.20 0.07 -0.13 0.40 0.08 0.03 -0.30 0.04 -0.19 -0.09 -0.11 0.20 -0.13 -0.05 0.08 -0.02 0.08 -0.17 0.11 0.06 -0.10 -0.14 0.01 0.02 -0.11 -0.08 0.13 0.01 0.05 -0.01 0.04 -0.19 -0.06 0.01 0.02 0.02 -0.10 -0.13 0.12 0.05 0.10 -0.09 0.14 0.10 0.09 0.10 -0.02 -0.01 0.02 -0.02 0.00 0.00 0.02 -0.01 -0.02 -0.06 0.05 -0.04 0.02 -0.02 -0.00 0.02 -0.05 -0.01 0.01 -0.02 -0.00 0.02 0.07 0.00 -0.00 0.00 0.00 0.00 0.00 0.04 -0.02 0.01 -0.06 0.03 -0.08 -0.00 -0.01 -0.05 -0.03 0.03 0.01 0.01 -0.03 -0.01 0.02 -0.05 0.07 0.02 0.01 0.01 0.04 0.15 -0.15 -0.00 -0.15 0.16 -0.02 -0.03 0.02 -0.07 0.07 -0.04 -0.03 -0.01 -0.01 0.00 0.01 0.00 0.02 -0.02 0.01 0.05 -0.00 -0.01 0.00 0.01 0.01 0.06 -0.04 0.02 -0.01 0.00 -0.00 0.14 -0.01 0.11 -0.07 -0.00 0.03 0.05 0.17 -0.10 -0.13 0.05 -0.02 0.05 -0.04 0.03 0.16 0.05 -0.08 0.29 0.06 0.02 -0.22 0.03 -0.13 0.14 0.17 -0.32 0.21 0.09 -0.13 0.06 -0.12 0.26 -0.15 -0.08 0.16 -0.06 -0.00 0.02 0.17 0.13 -0.21 -0.02 -0.08 0.02 0.02 -0.12 -0.04 0.01 0.03 0.02 -0.04 -0.06 0.05 0.02 0.06 -0.05 0.12 0.08 0.07 -0.14 0.04 0.00 -0.04 0.02 -0.01 0.01 -0.04 0.01 -0.02 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.02 0.02 -0.02 -0.00 -0.00 0.00 -0.12 0.01 -0.04 0.01 0.05 -0.02 0.00 -0.04 0.01 0.00 -0.01 0.00 0.01 -0.01 -0.01 0.00 -0.02 0.00 0.00 0.03 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.06 -0.03 -0.08 0.06 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.18 -0.03 0.06 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.04 0.01 0.02 -0.08 -0.09 0.06 -0.03 0.01 0.01 0.06 -0.03 -0.01 -0.03 0.03 0.00 -0.11 -0.02 -0.01 -0.02 -0.06 0.00 0.10 -0.04 0.01 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.08 -0.27 -0.07 -0.03 0.28 0.08 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.71 0.26 0.37 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.08 -0.02 0.02 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 0.01 -0.02 0.01 0.00 0.03 -0.03 -0.01 0.07 0.00 0.03 0.08 0.23 -0.06 -0.03 -0.18 -0.03 -0.00 -0.00 -0.02 0.05 -0.03 -0.04 0.02 -0.08 0.01 0.02 0.09 0.04 -0.00 0.00 0.00 0.03 -0.00 0.01 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.06 0.02 -0.01 0.04 -0.02 0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.08 0.03 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.17 0.07 0.08 -0.37 -0.41 0.29 -0.15 0.19 -0.04 -0.04 0.06 -0.00 0.01 -0.00 0.02 -0.37 -0.04 -0.11 0.16 -0.21 0.05 0.23 -0.16 -0.06 -0.00 -0.01 0.02 -0.05 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.01 0.01 -0.02 0.01 -0.01 -0.00 0.00 -0.02 0.00 -0.00 -0.06 0.01 -0.02 0.05 -0.02 -0.00 -0.01 -0.02 0.01 -0.01 0.02 -0.02 -0.14 0.01 -0.04 -0.01 -0.01 0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 0.00 -0.01 0.13 0.00 -0.03 0.00 -0.00 0.00 -0.00 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 -0.03 0.00 0.00 0.02 -0.04 -0.00 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.04 -0.01 0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.07 0.05 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.06 0.05 -0.09 0.10 -0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.01 -0.04 0.00 0.01 -0.03 0.01 -0.04 0.02 -0.11 0.10 0.02 -0.08 0.02 -0.03 0.01 -0.01 0.03 -0.06 0.00 -0.01 0.02 0.01 0.03 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.18 0.04 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 0.00 -0.31 -0.26 0.26 -0.43 0.55 -0.39 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 0.03 0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 0.01 0.06 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.00 -0.00 0.02 -0.01 -0.02 -0.02 -0.02 -0.01 0.00 0.00 0.01 -0.01 0.00 0.00 -0.02 0.03 0.02 -0.01 0.02 -0.08 -0.09 -0.00 0.09 0.09 -0.00 -0.01 0.01 0.03 -0.06 -0.13 0.01 -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 -0.03 0.01 0.13 0.02 0.01 -0.07 0.03 0.01 -0.04 -0.00 0.01 -0.03 0.01 -0.04 0.02 -0.09 0.12 0.03 0.03 -0.06 -0.03 0.01 -0.01 0.04 -0.07 0.00 -0.01 0.03 0.01 0.04 0.25 0.03 0.24 -0.30 0.16 -0.20 -0.10 0.03 -0.24 -0.01 -0.23 0.23 0.04 -0.03 0.03 0.16 0.01 0.14 -0.08 0.22 -0.24 0.01 -0.02 -0.00 0.00 0.01 0.00 0.03 0.03 -0.03 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.18 -0.16 0.21 0.13 0.20 0.13 -0.18 -0.21 0.06 0.02 0.01 -0.04 -0.08 -0.01 0.01 0.02 -0.02 0.02 -0.03 0.00 -0.05 0.05 0.05 0.20 -0.03 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.02 -0.18 0.00 -0.03 0.09 -0.03 -0.08 -0.06 -0.06 -0.02 0.02 0.00 0.03 -0.02 0.00 0.01 -0.06 0.11 0.08 -0.04 -0.01 0.03 0.04 -0.00 -0.03 -0.04 -0.01 -0.05 0.03 -0.00 0.02 0.05 0.02 -0.01 0.01 0.01 0.01 0.01 -0.04 0.00 0.00 0.05 -0.03 0.02 0.01 0.00 0.00 0.01 -0.00 -0.05 -0.01 -0.00 0.02 0.08 0.06 -0.18 -0.04 -0.00 -0.09 0.03 -0.15 0.09 -0.35 0.45 0.10 0.11 -0.23 -0.11 -0.01 -0.05 0.13 -0.25 -0.02 -0.03 0.14 0.02 0.13 -0.09 -0.01 -0.08 0.15 -0.06 0.08 0.01 -0.01 0.09 -0.01 0.09 -0.09 0.15 -0.12 0.10 -0.08 -0.02 -0.04 0.04 -0.08 0.09 0.05 -0.06 -0.00 0.01 0.01 0.01 0.13 0.10 -0.11 0.05 -0.03 0.01 0.01 0.00 -0.00 0.07 0.06 -0.08 -0.04 -0.07 -0.05 0.07 0.08 -0.02 -0.02 -0.01 0.01 -0.04 -0.01 0.01 -0.01 0.01 -0.01 0.00 -0.02 -0.02 0.06 -0.13 -0.11 -0.04 0.15 0.05 -0.08 -0.01 -0.03 0.02 0.03 0.10 0.01 -0.03 -0.06 -0.07 0.05 0.07 0.03 -0.01 -0.02 -0.03 0.07 -0.01 -0.01 0.02 0.05 0.12 0.07 -0.07 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.05 0.05 -0.00 0.00 0.00 0.06 0.00 0.02 -0.00 -0.01 -0.01 -0.04 -0.02 0.02 0.02 -0.01 0.01 0.08 -0.06 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.13 0.04 -0.09 0.05 -0.06 0.11 -0.16 0.10 -0.05 -0.16 0.35 0.14 0.11 -0.26 -0.25 -0.10 0.03 -0.10 0.19 -0.05 0.03 -0.03 -0.05 -0.09 0.00 0.00 -0.00 -0.03 0.00 -0.00 0.02 0.00 0.00 -0.00 -0.00 0.00 0.22 -0.20 0.13 0.01 0.01 -0.01 -0.01 -0.01 0.01 0.06 0.03 0.04 -0.09 -0.29 -0.13 0.13 0.08 -0.09 -0.13 0.19 -0.13 -0.10 -0.18 -0.11 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 -0.01 -0.07 -0.03 0.04 0.00 -0.00 -0.00 0.04 0.00 0.07 -0.04 0.06 -0.16 0.06 -0.21 -0.08 0.12 -0.00 0.04 -0.01 -0.03 0.06 0.01 0.02 -0.00 -0.12 0.01 0.06 -0.03 0.01 0.02 -0.02 0.03 0.03 -0.00 -0.00 0.01 0.27 0.06 -0.10 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.09 -0.07 0.05 0.00 -0.00 -0.01 -0.06 -0.01 -0.02 -0.05 0.03 -0.01 -0.15 0.01 0.01 0.01 -0.01 0.00 -0.09 0.07 -0.01 -0.00 0.00 0.01 0.00 0.00 -0.01 0.15 -0.07 0.32 0.07 0.05 -0.01 -0.04 0.01 0.00 0.05 0.12 0.06 -0.24 0.03 -0.21 -0.00 0.01 -0.02 0.03 0.01 0.00 -0.02 -0.00 -0.01 -0.02 0.00 -0.02 0.10 0.01 0.00 -0.02 -0.01 0.01 0.04 0.02 -0.02 -0.01 -0.01 -0.00 -0.02 -0.01 0.02 0.05 0.03 -0.03 -0.06 -0.03 -0.04 0.09 0.49 0.20 0.06 0.15 -0.13 -0.05 0.07 -0.04 0.14 0.22 0.14 -0.00 -0.00 0.01 0.01 0.02 0.01 -0.01 -0.01 0.00 0.03 -0.02 -0.03 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.02 -0.01 0.01 0.00 0.00 -0.05 -0.01 0.02 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.02 -0.00 0.00 -0.03 0.07 0.03 0.02 -0.02 -0.00 -0.01 0.00 -0.00 0.02 -0.03 -0.07 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 -0.04 0.01 0.09 0.02 0.01 -0.04 0.11 0.05 0.01 0.04 -0.01 0.03 -0.03 0.02 -0.01 0.00 -0.01 -0.00 0.02 -0.00 0.01 -0.04 0.00 -0.02 0.03 -0.03 0.01 0.01 -0.02 -0.02 -0.37 -0.07 -0.13 0.46 -0.00 0.07 -0.29 -0.13 0.14 0.23 0.12 -0.10 0.01 -0.01 0.01 -0.27 -0.11 0.17 0.30 0.22 -0.23 0.00 0.01 0.00 -0.01 -0.04 -0.02 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.05 0.11 0.10 0.13 0.09 -0.09 -0.10 0.03 -0.03 -0.02 0.01 -0.02 -0.03 0.02 -0.01 0.00 -0.00 -0.01 -0.00 -0.02 0.00 -0.02 0.03 -0.00 0.06 0.03 -0.03 0.00 -0.01 0.00 0.01 -0.00 -0.01 0.01 0.00 -0.04 0.03 -0.04 0.06 0.01 -0.02 0.01 -0.02 -0.00 0.01 -0.01 -0.00 0.10 -0.05 0.04 0.01 0.01 0.00 0.00 -0.00 -0.00 0.16 -0.03 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.08 0.05 -0.03 -0.04 0.04 -0.03 0.02 -0.02 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.15 -0.02 -0.10 -0.04 -0.00 -0.01 0.01 -0.00 -0.00 -0.19 0.08 -0.01 -0.16 0.18 0.06 0.02 -0.00 -0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.00 -0.08 -0.02 -0.02 -0.01 -0.01 0.01 -0.03 -0.02 0.02 0.02 0.01 -0.01 -0.49 0.36 -0.22 -0.04 -0.01 0.02 0.02 0.02 -0.02 -0.00 0.02 0.01 -0.03 -0.16 -0.07 -0.28 -0.06 0.09 0.23 -0.33 0.24 -0.03 -0.05 -0.03 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.01 -0.01 0.00 -0.10 -0.07 0.06 -0.00 0.00 -0.00 -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 0.03 0.01 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.02 -0.01 -0.01 -0.02 0.08 0.05 -0.00 -0.02 0.01 0.23 0.06 -0.07 0.00 -0.00 0.00 0.02 -0.06 -0.04 0.01 0.03 -0.03 0.03 0.04 0.01 0.02 -0.01 -0.00 -0.04 0.00 0.00 0.01 -0.00 -0.02 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.02 0.01 -0.01 0.00 -0.00 -0.01 0.00 0.03 0.01 0.00 -0.01 -0.57 -0.24 -0.03 -0.27 0.03 -0.13 0.16 -0.05 0.04 0.07 -0.00 0.00 0.01 -0.04 -0.03 0.20 -0.02 0.11 -0.15 0.12 -0.04 -0.07 0.10 0.10 -0.29 -0.07 -0.05 -0.07 -0.05 0.04 -0.11 -0.06 0.09 0.06 0.02 -0.02 0.16 -0.12 0.07 -0.14 -0.05 0.06 0.07 0.06 -0.07 -0.01 0.01 -0.00 0.01 0.06 0.01 0.11 0.05 -0.06 -0.09 0.12 -0.09 0.01 0.01 0.01 -0.02 -0.03 0.04 0.03 0.04 0.02 -0.03 -0.03 0.01 -0.02 -0.01 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.05 0.02 -0.12 -0.04 -0.07 0.06 -0.06 -0.00 -0.01 -0.01 0.02 0.01 -0.01 -0.03 0.01 0.01 0.00 0.05 0.01 -0.02 -0.02 0.10 0.01 -0.01 0.02 0.03 -0.04 -0.02 0.03 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 -0.00 0.02 -0.00 0.05 0.02 0.03 0.01 -0.01 -0.02 0.02 -0.01 0.01 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.06 0.08 -0.25 0.17 0.03 0.04 -0.21 -0.04 -0.01 -0.11 0.09 0.03 0.18 -0.20 -0.06 -0.08 0.02 -0.06 0.11 -0.04 0.02 0.01 -0.04 -0.04 -0.03 -0.01 -0.01 -0.03 -0.01 0.01 -0.01 -0.01 0.02 -0.00 0.00 -0.00 -0.09 0.06 -0.03 -0.04 -0.01 0.01 0.01 0.01 -0.01 0.18 -0.28 -0.04 0.17 0.59 0.27 -0.09 -0.07 0.07 0.07 -0.10 0.08 -0.17 -0.08 -0.10 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.02 -0.00 -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 0.01 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.03 0.04 -0.09 -0.01 0.01 -0.00 -0.00 -0.00 -0.09 -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 0.01 -0.02 0.04 0.00 -0.00 -0.03 -0.10 -0.04 -0.00 -0.08 -0.02 -0.01 0.04 0.01 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.03 -0.00 0.02 -0.02 0.02 -0.01 -0.01 0.02 0.02 0.14 0.02 -0.02 0.19 0.07 -0.01 0.38 0.16 -0.13 0.44 0.14 -0.14 -0.00 0.00 -0.00 0.46 0.16 -0.13 0.37 0.11 -0.12 0.01 -0.02 -0.00 0.01 0.04 0.02 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.02 -0.01 -0.01 0.11 0.17 -0.05 0.00 0.09 0.03 -0.02 -0.07 0.01 -0.04 -0.03 0.02 -0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.04 0.05 -0.01 0.01 0.01 -0.01 0.01 -0.00 -0.08 -0.06 -0.03 -0.01 -0.04 -0.03 -0.00 -0.02 -0.01 0.10 0.06 -0.01 0.02 -0.04 -0.01 -0.00 0.06 0.04 0.04 0.01 -0.02 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.00 0.00 -0.01 -0.00 0.02 -0.01 0.01 -0.03 -0.01 0.01 0.02 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.31 0.19 -0.27 0.49 0.14 0.03 -0.27 -0.09 -0.01 0.15 -0.20 -0.07 -0.23 0.26 0.11 -0.18 0.02 -0.11 0.11 -0.11 0.04 0.07 -0.09 -0.10 -0.09 -0.03 -0.00 -0.07 -0.01 0.01 0.04 0.02 -0.01 0.08 0.02 -0.02 0.08 -0.04 0.02 0.09 0.03 -0.03 0.04 0.02 -0.02 -0.02 0.03 0.01 -0.01 -0.10 -0.02 0.10 0.08 -0.08 -0.09 0.12 -0.09 0.01 0.01 0.01 0.03 0.04 -0.01 -0.00 0.01 0.00 -0.01 -0.02 0.00 0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.02 -0.00 0.00 -0.06 0.07 0.01 -0.01 -0.03 -0.02 0.00 0.01 0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.03 -0.01 0.01 0.03 -0.08 -0.01 0.01 -0.01 -0.03 0.04 0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.02 0.05 0.01 0.01 -0.02 -0.00 -0.04 -0.00 0.01 0.01 -0.02 0.01 0.08 -0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 0.00 0.09 0.03 0.06 -0.19 -0.07 0.01 0.28 0.11 -0.02 0.14 -0.18 -0.07 -0.26 0.31 0.12 0.06 -0.02 0.04 -0.09 0.03 -0.02 0.00 0.02 0.02 0.03 0.01 -0.00 0.03 0.00 -0.00 -0.01 -0.01 0.00 -0.03 -0.01 0.01 0.07 -0.03 0.01 -0.04 -0.01 0.01 -0.01 -0.00 0.01 0.13 -0.29 -0.06 0.14 0.36 0.17 0.08 0.07 -0.07 -0.08 0.10 -0.08 -0.34 -0.25 -0.23 -0.01 -0.02 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.08 -0.04 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 -0.03 -0.01 0.03 0.02 0.02 -0.01 -0.02 -0.00 -0.02 0.01 0.01 -0.00 -0.03 -0.01 0.00 0.01 -0.02 -0.01 -0.02 0.02 0.01 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.42 0.13 -0.06 -0.40 -0.13 0.06 0.24 0.01 0.11 -0.16 0.07 -0.09 0.00 -0.00 0.00 -0.43 -0.11 0.06 0.50 0.12 -0.12 -0.00 0.01 0.00 -0.00 -0.03 -0.01 0.01 0.01 -0.01 -0.01 0.01 -0.01 0.02 0.01 0.01 -0.01 -0.06 0.04 0.05 0.09 0.06 0.03 0.03 -0.01 -0.02 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 -0.03 0.02 0.03 -0.02 0.24 0.04 0.13 0.04 -0.03 0.00 -0.07 -0.02 -0.03 -0.02 -0.03 0.01 0.00 -0.00 0.01 0.05 0.05 -0.00 -0.03 -0.01 0.00 -0.00 0.03 -0.01 -0.04 -0.01 0.02 0.01 0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.00 -0.13 0.12 -0.01 -0.19 -0.07 -0.09 0.03 0.00 -0.01 -0.01 0.02 -0.01 0.06 -0.06 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.34 0.08 0.14 0.21 0.06 0.00 0.06 0.02 -0.00 -0.16 0.22 0.08 0.24 -0.29 -0.12 -0.04 -0.01 0.04 0.01 -0.06 0.00 0.09 -0.03 0.02 0.00 -0.00 -0.01 -0.10 -0.03 0.01 0.03 0.00 0.01 0.01 0.01 -0.02 -0.06 0.02 -0.01 -0.02 -0.00 -0.00 0.06 0.02 -0.02 -0.03 -0.10 -0.06 -0.06 0.38 0.12 -0.08 -0.07 0.06 0.08 -0.10 0.08 -0.24 -0.23 -0.17 0.02 0.02 -0.00 0.00 0.01 0.01 -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 0.01 0.00 -0.01 -0.02 -0.03 -0.00 -0.02 -0.01 0.00 -0.00 -0.04 -0.00 0.01 -0.02 -0.02 0.01 -0.00 0.01 0.01 0.02 0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.00 0.00 0.01 0.02 0.00 0.02 -0.01 -0.02 0.00 -0.00 0.00 0.01 -0.00 0.01 0.02 -0.02 0.00 0.03 0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.03 0.06 -0.02 -0.05 -0.06 0.26 0.10 0.07 -0.05 -0.04 0.02 0.28 0.12 -0.02 -0.03 0.04 0.02 0.07 -0.08 -0.04 0.03 -0.02 0.06 -0.05 -0.02 -0.02 0.06 0.00 0.04 0.12 0.06 -0.05 -0.27 -0.12 0.07 -0.25 -0.11 0.13 0.07 0.06 -0.06 -0.01 0.00 -0.00 0.05 0.02 0.00 -0.09 -0.04 0.05 0.00 0.01 0.01 0.01 -0.05 -0.01 -0.02 -0.02 0.02 0.02 -0.02 0.02 0.02 0.03 0.02 0.39 0.48 -0.15 -0.02 -0.04 -0.04 -0.21 -0.27 0.05 -0.02 -0.02 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.02 0.01 -0.01 -0.03 -0.05 -0.00 -0.02 -0.01 0.01 0.00 -0.08 -0.00 0.02 -0.04 -0.04 0.01 -0.01 0.01 0.01 0.06 0.05 -0.00 0.01 -0.00 -0.00 0.01 0.01 -0.04 -0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.02 0.00 0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.03 -0.03 -0.00 0.04 0.01 0.02 0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.02 -0.03 0.02 0.03 0.04 0.46 0.19 0.10 -0.06 -0.06 0.04 0.48 0.20 -0.04 -0.05 0.08 0.03 0.12 -0.15 -0.07 0.04 -0.03 0.11 -0.08 -0.04 -0.03 0.11 -0.00 0.07 -0.13 -0.06 0.03 0.06 0.05 -0.04 0.19 0.08 -0.08 -0.03 -0.03 0.03 -0.03 0.01 -0.01 -0.02 -0.00 -0.01 0.11 0.04 -0.05 -0.00 0.03 0.01 0.01 -0.10 -0.02 -0.04 -0.03 0.03 0.03 -0.04 0.03 0.05 0.05 0.04 -0.24 -0.30 0.09 0.01 0.04 0.03 0.14 0.17 -0.03 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.03 0.03 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 -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 0.01 -0.02 -0.04 0.01 0.03 0.04 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.29 0.13 -0.12 -0.27 -0.15 0.12 -0.41 -0.16 0.17 0.46 0.20 -0.18 0.00 -0.00 0.00 0.24 0.04 -0.00 -0.16 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 -0.24 -0.28 0.08 0.00 0.01 0.02 0.12 0.15 -0.03 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.01 0.04 -0.02 0.04 -0.07 -0.06 -0.01 -0.03 -0.06 0.05 -0.00 -0.03 -0.01 -0.08 0.03 0.03 0.02 0.01 -0.01 0.01 0.02 0.03 0.01 0.03 -0.09 -0.02 -0.00 0.00 0.02 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.01 -0.01 -0.00 0.00 -0.03 0.00 -0.01 0.09 -0.04 0.02 0.03 0.00 -0.01 -0.01 0.01 -0.01 0.06 0.03 0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 -0.26 0.64 0.14 0.11 -0.08 -0.38 -0.17 0.06 -0.16 0.23 0.09 0.08 -0.11 -0.08 -0.04 0.01 -0.04 0.04 0.01 0.01 -0.04 0.00 -0.02 -0.05 -0.02 0.01 -0.07 -0.02 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.03 0.01 -0.01 0.04 0.01 -0.01 0.04 -0.16 -0.05 0.10 -0.08 -0.00 -0.05 -0.05 0.04 0.05 -0.07 0.05 -0.18 -0.10 -0.11 -0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.01 -0.00 0.02 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.02 -0.00 0.00 0.01 0.00 0.01 -0.02 -0.00 -0.02 0.00 0.00 0.04 0.01 -0.00 0.02 -0.01 -0.00 -0.02 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 0.01 0.03 0.02 -0.03 0.08 0.04 -0.05 -0.00 0.01 -0.01 -0.11 -0.04 0.05 0.01 -0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.03 -0.01 0.01 0.01 0.00 0.09 0.03 0.04 -0.17 -0.08 0.01 -0.09 -0.01 0.01 -0.07 0.05 0.02 -0.09 0.11 0.03 -0.01 0.00 -0.04 -0.03 0.04 0.00 -0.05 0.01 -0.02 -0.29 -0.08 0.09 -0.22 -0.12 0.05 -0.30 -0.09 0.05 -0.37 -0.10 0.09 0.01 -0.00 0.00 0.41 0.13 -0.10 0.42 0.08 -0.09 -0.00 0.03 0.01 -0.02 0.03 0.00 0.01 0.01 -0.01 -0.01 0.01 -0.01 0.04 0.02 0.02 0.02 0.01 -0.03 0.04 0.13 0.09 0.11 0.10 -0.04 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.05 0.02 0.00 -0.04 -0.01 -0.04 0.04 0.00 0.08 0.00 0.01 -0.10 -0.03 0.01 -0.06 0.04 0.01 -0.03 -0.03 -0.00 0.01 -0.02 -0.01 -0.01 0.03 -0.02 -0.00 -0.00 -0.02 0.00 0.01 -0.01 0.03 0.02 -0.02 0.02 -0.02 0.01 -0.04 -0.01 0.02 -0.04 0.01 -0.01 0.04 -0.04 0.00 -0.02 -0.00 0.01 0.00 0.01 -0.01 0.04 0.02 0.03 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.30 -0.08 -0.19 0.42 0.18 -0.00 0.28 0.05 -0.02 0.26 -0.25 -0.09 0.28 -0.33 -0.08 0.04 0.00 0.11 0.10 -0.10 -0.01 0.13 -0.03 0.06 -0.07 -0.02 0.03 -0.04 -0.03 0.01 -0.13 -0.04 0.02 -0.15 -0.04 0.03 -0.05 0.02 -0.01 0.15 0.05 -0.03 0.15 0.03 -0.03 0.01 -0.10 -0.03 0.04 -0.07 -0.02 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.10 -0.05 -0.06 0.01 0.01 -0.01 0.02 0.05 0.03 0.04 0.04 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.04 -0.03 -0.02 0.05 0.01 0.04 -0.05 -0.00 0.06 0.02 -0.02 -0.12 -0.03 0.01 0.06 -0.04 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.03 -0.01 -0.00 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 0.02 -0.01 -0.00 -0.00 0.00 0.04 -0.02 0.01 -0.03 0.04 0.00 0.02 0.00 -0.01 -0.00 -0.01 0.01 -0.04 -0.02 -0.03 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.22 -0.22 0.30 0.52 0.24 -0.02 0.29 0.05 -0.02 -0.26 0.25 0.10 -0.25 0.29 0.06 -0.03 -0.01 0.06 0.02 -0.10 0.01 0.10 -0.02 0.01 0.00 0.00 0.00 0.01 -0.00 0.00 -0.02 -0.01 0.00 -0.02 -0.00 0.00 0.04 -0.02 0.02 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.00 0.10 0.04 -0.02 0.11 0.02 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.10 0.05 0.06 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.01 0.02 0.01 0.02 -0.05 0.14 0.04 0.08 -0.10 -0.01 -0.02 0.01 -0.07 0.02 0.01 0.02 -0.08 0.08 -0.00 -0.00 0.01 0.01 0.03 -0.11 -0.04 -0.01 -0.00 0.00 -0.03 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.07 -0.02 0.01 0.00 0.00 -0.00 0.08 -0.03 0.02 -0.06 0.07 0.01 -0.07 -0.01 0.02 0.03 -0.00 -0.00 -0.08 -0.05 -0.05 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.06 -0.14 0.40 0.01 0.03 -0.06 -0.18 -0.06 0.03 0.33 -0.32 -0.13 0.35 -0.37 -0.04 0.01 0.00 0.02 0.04 -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 -0.10 0.07 -0.05 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.19 0.07 -0.03 0.19 0.05 0.07 0.07 -0.07 -0.03 0.10 -0.07 0.16 0.08 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 -0.01 -0.04 0.04 0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 0.05 0.00 -0.02 0.06 0.02 0.03 -0.03 -0.00 0.01 -0.02 0.01 0.01 0.00 -0.00 -0.06 -0.00 0.02 -0.01 -0.01 0.00 0.02 -0.08 -0.02 0.01 -0.00 0.00 0.13 0.07 -0.09 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.16 -0.02 0.04 -0.00 -0.00 0.00 0.03 -0.02 0.00 -0.02 0.02 0.00 0.20 0.03 -0.06 -0.12 0.06 -0.03 -0.03 -0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.05 -0.18 -0.03 -0.01 -0.00 -0.03 -0.01 0.00 0.25 -0.15 -0.05 -0.07 0.01 -0.02 -0.02 -0.00 -0.03 -0.04 0.01 0.01 -0.03 0.01 -0.03 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.02 -0.00 0.00 0.15 -0.22 0.16 0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 0.08 0.03 0.00 0.08 0.03 -0.32 -0.29 0.29 0.23 -0.43 0.32 0.05 0.03 0.03 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 0.03 -0.01 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.01 0.01 0.03 0.01 0.00 0.01 -0.02 0.00 0.00 -0.00 -0.00 0.01 -0.03 -0.00 -0.14 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 -0.00 -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 0.03 -0.09 -0.09 -0.04 0.00 -0.07 -0.03 0.02 -0.08 0.07 0.03 -0.06 0.05 -0.02 0.53 0.22 0.11 0.51 -0.03 -0.08 0.44 -0.29 0.20 0.02 0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 0.01 0.01 0.02 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 -0.04 0.00 -0.01 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.02 -0.02 0.04 -0.02 -0.01 0.02 0.01 0.00 -0.00 0.00 -0.01 -0.02 0.01 0.00 0.00 -0.00 0.01 -0.02 0.00 0.06 0.01 0.00 0.01 -0.04 -0.01 0.02 -0.00 0.00 -0.02 -0.00 0.01 -0.11 -0.06 0.06 0.10 0.02 -0.01 0.01 0.00 -0.00 -0.02 -0.01 0.01 0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.05 -0.14 -0.01 -0.00 0.01 -0.01 -0.01 0.00 -0.08 0.13 0.05 0.03 -0.04 -0.03 -0.06 -0.03 -0.01 -0.06 0.01 0.01 -0.05 0.04 -0.02 0.55 0.15 -0.21 0.47 0.28 -0.12 -0.26 -0.11 -0.04 -0.30 0.01 0.05 -0.01 0.02 -0.01 0.07 0.02 0.02 0.08 -0.02 0.00 -0.02 0.03 0.01 0.01 0.02 0.01 0.02 0.01 -0.02 -0.01 0.02 -0.01 0.00 0.01 0.01 0.02 0.02 -0.01 0.02 0.04 0.04 0.03 0.03 -0.02 -0.03 -0.01 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 -0.02 -0.01 -0.05 0.07 -0.15 0.08 0.02 -0.06 -0.02 -0.02 0.02 -0.00 -0.04 0.06 -0.08 -0.00 -0.01 0.01 -0.04 0.06 -0.01 0.05 0.02 -0.00 -0.04 0.13 0.03 -0.03 0.01 -0.01 0.05 0.01 -0.02 -0.04 -0.03 0.03 0.04 0.01 -0.01 -0.03 0.00 0.00 -0.01 -0.00 0.00 -0.02 0.03 0.01 -0.00 0.02 0.00 0.03 0.01 -0.01 -0.03 0.00 0.00 0.02 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.10 -0.14 0.57 0.03 0.03 -0.06 -0.03 0.05 0.00 0.24 -0.41 -0.15 -0.09 0.14 0.09 0.13 0.05 0.04 0.12 -0.03 -0.02 0.12 -0.08 0.04 0.22 0.06 -0.11 0.18 0.13 -0.06 -0.10 -0.04 -0.02 -0.11 0.01 0.02 0.04 -0.05 0.03 0.02 0.01 0.01 0.02 -0.01 0.00 0.04 -0.10 -0.02 -0.05 -0.13 -0.06 -0.06 -0.04 0.05 0.01 -0.05 0.04 -0.01 -0.03 -0.02 0.01 0.01 -0.01 0.01 0.02 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 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.05 0.02 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 -0.06 -0.08 0.02 -0.02 -0.04 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.03 0.02 0.04 0.06 -0.03 0.01 -0.00 0.00 -0.00 -0.07 -0.03 -0.23 -0.26 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 0.17 0.22 -0.11 0.23 0.45 0.42 0.34 0.39 -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 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.03 -0.02 -0.04 -0.02 -0.03 0.00 0.00 -0.00 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 0.00 -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 0.01 -0.00 0.04 0.05 -0.07 0.34 0.14 -0.33 -0.00 0.39 0.42 0.02 0.15 -0.00 0.53 0.03 0.08 -0.21 -0.07 0.17 -0.00 0.11 -0.09 0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.01 0.03 0.00 -0.00 0.00 -0.01 0.04 -0.07 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.01 0.01 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.00 0.02 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.04 -0.01 0.05 -0.02 -0.05 0.02 -0.02 -0.03 -0.25 -0.05 0.23 -0.08 0.00 -0.00 0.00 0.11 0.11 0.60 0.16 -0.58 0.21 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.05 0.03 -0.01 0.06 0.13 0.12 0.11 0.10 -0.07 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.02 -0.01 -0.01 0.02 0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 -0.00 0.01 -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 0.01 0.00 0.01 0.08 -0.02 0.15 0.08 -0.11 -0.00 -0.17 -0.20 -0.02 -0.06 -0.01 -0.26 -0.19 0.03 -0.42 0.05 0.63 -0.06 0.19 0.06 0.38 -0.01 -0.01 -0.06 -0.03 0.05 -0.02 0.01 0.01 0.05 0.02 -0.04 0.01 0.00 -0.00 0.00 0.00 0.00 0.02 0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.02 -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 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.05 0.01 -0.03 0.05 -0.00 -0.00 0.00 0.01 -0.01 0.02 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.01 0.01 -0.00 0.02 0.01 -0.01 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 -0.02 -0.02 0.00 -0.05 0.01 0.08 -0.01 0.03 0.01 0.05 0.11 0.10 0.47 0.23 -0.40 0.17 -0.09 -0.08 -0.44 -0.17 0.40 -0.14 0.00 -0.00 0.00 -0.04 -0.04 -0.19 -0.06 0.18 -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 -0.01 0.01 -0.00 -0.01 -0.02 -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 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.02 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.05 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 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 0.02 0.01 -0.01 0.01 -0.02 0.03 -0.06 -0.02 -0.02 0.10 0.12 0.01 0.00 0.04 0.17 -0.31 -0.26 0.39 0.48 0.02 -0.08 -0.16 0.41 0.44 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.03 0.06 -0.03 0.01 -0.10 -0.04 0.00 -0.13 -0.05 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.00 0.00 0.03 -0.06 0.02 0.00 0.00 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 0.01 -0.01 0.02 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.03 0.20 0.07 -0.02 0.25 0.09 -0.00 -0.01 0.01 0.00 0.01 -0.01 0.03 -0.10 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.05 0.00 -0.01 0.06 0.02 -0.07 0.00 -0.05 0.00 0.02 0.00 -0.04 -0.08 0.02 0.00 0.02 -0.03 -0.05 0.01 -0.02 -0.01 -0.05 -0.05 -0.04 -0.14 -0.08 0.11 -0.05 -0.03 -0.03 -0.18 -0.06 0.17 -0.06 -0.00 -0.00 0.00 -0.02 -0.01 -0.06 -0.02 0.05 -0.02 0.27 -0.39 -0.06 -0.27 -0.51 -0.28 0.02 -0.00 -0.00 0.03 -0.02 0.01 -0.02 -0.16 -0.08 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 0.02 -0.04 -0.01 0.03 -0.05 -0.00 -0.00 0.00 -0.00 0.01 -0.02 -0.00 0.03 0.01 -0.00 0.03 0.01 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.03 -0.01 0.02 0.00 0.00 0.01 0.00 0.01 -0.01 0.01 -0.00 0.01 -0.02 -0.01 0.02 0.00 0.01 -0.01 0.00 0.18 0.13 0.45 0.29 -0.38 0.16 0.07 0.07 0.44 0.14 -0.42 0.15 -0.00 0.00 -0.00 0.04 0.03 0.14 0.06 -0.13 0.04 0.04 -0.05 -0.01 -0.04 -0.07 -0.04 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.02 -0.01 0.00 -0.01 0.00 0.00 0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.01 0.01 -0.01 -0.01 0.06 -0.04 0.02 0.01 0.01 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 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -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 0.04 -0.01 -0.14 0.59 0.16 -0.55 -0.01 -0.18 -0.21 -0.02 -0.08 -0.00 -0.27 0.04 -0.04 0.21 0.02 -0.24 0.01 -0.10 0.03 -0.11 0.01 0.01 0.03 0.02 -0.02 0.01 0.00 0.00 0.02 0.01 -0.02 0.01 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 0.02 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 0.00 -0.01 -0.05 0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.06 -0.04 0.03 0.01 0.00 0.00 -0.00 0.02 0.01 -0.00 0.00 -0.00 -0.14 0.15 -0.10 -0.00 0.00 -0.01 0.00 0.00 -0.01 0.04 -0.05 0.03 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.08 -0.24 0.21 0.05 0.28 -0.24 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.07 -0.07 0.01 -0.16 0.18 0.00 -0.01 -0.02 0.04 0.04 -0.02 -0.01 -0.01 0.02 0.02 0.02 0.02 0.06 0.03 -0.05 0.02 0.00 0.01 0.04 0.01 -0.05 0.02 0.07 -0.08 0.06 0.00 0.00 0.01 0.01 -0.00 0.00 -0.01 0.02 0.00 0.01 0.02 0.01 0.35 -0.03 -0.03 0.57 -0.31 0.18 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.03 0.00 0.00 -0.00 0.06 0.01 0.03 0.03 -0.19 -0.06 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 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 -0.08 -0.26 -0.14 -0.05 0.20 0.06 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.13 0.28 0.16 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.00 -0.00 -0.02 -0.00 0.00 -0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.37 0.23 -0.05 -0.21 -0.22 -0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.57 -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.02 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.10 -0.07 0.04 0.00 0.00 -0.00 0.00 0.02 0.02 -0.00 0.00 -0.00 -0.28 0.34 -0.23 0.00 0.00 0.00 0.00 -0.00 0.00 0.18 -0.29 0.21 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.06 0.16 -0.14 0.01 -0.13 0.11 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.02 -0.00 0.00 -0.01 -0.00 0.01 -0.00 0.14 -0.08 0.03 -0.15 0.18 -0.02 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.51 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 -0.33 -0.04 0.09 -0.18 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 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.02 -0.03 -0.18 -0.04 -0.42 -0.05 0.08 -0.12 -0.05 0.02 -0.03 -0.01 0.04 0.02 -0.02 -0.00 -0.03 0.01 0.01 0.01 -0.02 0.02 0.04 0.01 -0.03 0.06 0.33 -0.03 0.71 0.00 -0.00 -0.00 0.01 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.04 -0.00 0.01 0.01 -0.07 -0.03 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.01 -0.00 0.02 -0.06 -0.09 0.02 0.03 -0.09 0.03 0.13 -0.19 -0.17 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.04 0.04 0.03 0.07 0.08 0.06 0.01 0.00 -0.00 0.00 0.00 0.00 0.06 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 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.04 -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 0.25 0.35 -0.00 -0.21 -0.30 -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 0.02 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.09 -0.06 0.06 0.13 0.12 -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 -0.22 -0.21 0.31 -0.00 0.12 0.42 0.24 0.21 -0.37 -0.01 0.02 -0.04 0.00 0.00 -0.00 -0.13 0.24 -0.44 0.02 0.00 0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.04 0.02 -0.05 0.00 -0.01 0.01 0.00 -0.01 -0.00 0.24 -0.37 0.67 -0.03 0.01 -0.07 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.04 -0.00 0.02 -0.02 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.05 -0.04 0.04 0.04 0.00 -0.02 0.02 0.00 0.03 -0.01 0.03 0.00 -0.01 0.01 0.02 -0.01 0.01 -0.01 -0.02 0.00 -0.01 0.04 -0.02 0.02 -0.14 -0.09 -0.03 -0.16 0.02 0.03 0.02 0.02 -0.01 0.03 0.01 -0.02 -0.00 0.00 0.00 0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.01 -0.00 0.01 0.04 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.03 -0.06 0.03 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.01 0.01 0.04 -0.10 0.00 0.00 0.01 0.02 0.00 0.00 -0.00 -0.30 0.86 -0.05 -0.05 -0.18 -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.05 -0.02 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.01 0.01 -0.00 -0.24 0.61 0.19 -0.05 -0.05 -0.53 -0.27 -0.35 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 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.03 -0.04 0.05 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.11 0.01 -0.00 0.04 0.07 -0.27 0.73 -0.02 -0.07 -0.26 -0.52 -0.00 -0.00 -0.00 -0.02 0.06 -0.00 -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.02 0.00 0.00 -0.00 -0.00 -0.06 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 0.01 0.03 0.04 -0.12 0.01 -0.04 -0.12 -0.25 0.00 0.00 -0.00 -0.12 0.33 -0.03 0.13 0.37 0.78 -0.00 0.00 -0.00 -0.00 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 -0.09 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.02 -0.06 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 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 -0.02 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 0.20 -0.55 0.03 0.01 0.36 0.70 0.06 -0.16 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.05 0.00 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.03 -0.05 0.03 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.05 -0.11 -0.04 -0.28 0.70 0.22 -0.03 -0.05 -0.55 -0.00 0.01 -0.04 -0.08 -0.08 0.03 0.04 -0.10 -0.03 0.00 0.00 -0.01 -0.11 -0.14 0.09 -0.01 0.02 -0.00 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 0.00 0.01 -0.07 -0.05 -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 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.02 0.00 0.00 -0.00 0.11 -0.29 0.02 -0.00 -0.04 -0.08 -0.19 0.49 -0.03 0.10 0.30 0.65 0.00 0.00 -0.00 -0.05 0.13 -0.01 0.04 0.11 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 -0.01 -0.03 -0.07 -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 0.01 -0.01 -0.01 -0.00 0.01 0.04 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.05 -0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.07 0.16 0.06 0.06 -0.15 -0.04 -0.03 -0.02 -0.44 -0.00 0.00 -0.01 -0.02 -0.02 0.01 -0.20 0.50 0.15 0.07 0.05 0.63 0.06 0.07 -0.06 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.02 0.00 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 -0.01 -0.00 0.00 0.00 0.01 -0.05 -0.04 -0.02 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 -0.05 0.13 0.05 -0.00 0.01 0.01 -0.01 -0.01 -0.18 0.04 -0.10 0.42 0.59 0.59 -0.22 0.03 -0.08 -0.03 -0.00 0.00 -0.01 -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 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.06 -0.02 -0.00 0.01 0.02 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.29 0.69 0.27 0.07 -0.15 -0.05 -0.02 -0.01 -0.18 -0.01 0.02 -0.10 -0.14 -0.14 0.05 0.12 -0.28 -0.09 -0.01 0.00 -0.06 -0.21 -0.26 0.17 -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 0.01 -0.03 -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 -0.02 -0.05 0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.14 0.34 0.13 -0.06 0.15 0.05 -0.01 -0.01 -0.15 -0.00 0.00 -0.01 -0.01 -0.01 0.00 -0.07 0.15 0.06 -0.05 -0.05 -0.45 0.41 0.53 -0.32 -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 0.01 -0.03 -0.01 0.01 -0.04 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.03 -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 -0.14 0.33 0.13 -0.19 0.48 0.14 0.05 0.03 0.64 0.01 -0.01 0.06 0.04 0.04 -0.01 -0.08 0.19 0.05 0.04 0.02 0.30 -0.03 -0.04 0.02 0.01 -0.02 0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.06 -0.02 -0.03 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.09 0.01 -0.00 -0.03 -0.06 0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 0.03 -0.00 0.01 0.03 0.07 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 0.27 0.66 0.24 0.21 -0.37 0.03 0.19 0.43 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.08 -0.04 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.24 0.69 -0.06 0.00 0.25 0.53 -0.07 0.19 -0.01 0.03 0.09 0.19 0.00 0.00 0.00 -0.02 0.04 -0.00 0.01 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 0.02 0.04 0.04 0.03 -0.05 0.01 0.03 0.07 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.01 -0.03 -0.05 0.03 0.04 0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.01 0.02 -0.01 0.02 -0.00 0.01 0.01 0.03 -0.00 0.00 -0.00 -0.01 0.04 -0.01 0.01 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 0.04 0.25 0.61 -0.20 -0.17 0.30 -0.05 -0.25 -0.58 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.04 -0.08 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.01 -0.00 -0.00 -0.01 0.10 -0.20 0.87 -0.30 -0.30 0.10 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 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.03 0.01 -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 0.01 -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 0.01 0.05 0.12 -0.39 -0.35 0.57 0.06 0.25 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 -0.00 -0.00 -0.00 -0.02 -0.02 0.02 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 0.05 -0.03 0.02 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 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.26 -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 0.55 -0.53 0.36 -0.25 -0.09 0.12 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.05 -0.07 -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 0.21 0.07 0.11 -0.05 0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.53 0.79 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 0.00 0.00 0.00 -0.04 -0.05 0.05 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 0.01 -0.02 -0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.48 0.52 -0.52 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.24 0.23 -0.15 0.23 0.09 -0.11 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.08 0.03 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.12 0.04 0.06 0.90 -0.37 0.17 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 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 0.03 -0.02 -0.07 -0.03 0.04 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.07 -0.07 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 0.24 -0.24 0.16 0.77 0.31 -0.38 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.07 -0.03 -0.04 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.80 0.29 0.43 -0.12 0.05 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.13 -0.21 -0.04 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 45 46 47 48 8 8 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 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 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 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 345.16886 0.99896 0.04491 -0.00765 -0.04496 0.99896 -0.0072 0.00732 0.00754 0.99994 asymmetric 1 0.01286 0.00817 0.00623 0.26793 0.17023 0.12980 1035175.1 32.15 43.90 56.18 71.20 77.83 87.72 97.30 102.03 117.64 139.05 145.53 173.42 188.01 200.67 224.16 249.02 283.19 296.33 323.51 347.21 361.90 373.29 402.16 448.67 499.11 527.67 540.94 578.29 602.88 628.20 687.35 744.24 805.03 869.35 879.08 925.74 948.59 955.08 967.00 1035.10 1079.47 1080.46 1096.70 1113.41 1119.70 1147.29 1205.18 1223.23 1237.33 1259.25 1265.59 1273.16 1286.00 1298.34 1317.96 1322.38 1325.99 1348.83 1362.01 1373.58 1407.45 1433.30 1467.93 1477.66 1485.27 1498.39 1507.63 1518.14 1559.88 1569.03 1583.89 1590.88 1610.55 1638.80 1664.74 1691.10 1694.58 1737.93 1775.57 1777.73 1791.34 1796.73 1832.24 1845.27 1867.72 1871.97 1883.90 1887.07 1896.46 1897.38 1912.85 1945.22 1974.35 1978.58 1988.70 2013.06 2023.13 2044.70 2054.86 2068.59 2078.56 2118.54 2120.28 2143.22 2144.33 2150.64 2164.31 2167.22 2170.42 2196.90 2230.65 2351.02 2422.41 2436.51 2491.43 4314.46 4350.51 4368.57 4382.87 4398.83 4403.87 4428.14 4428.95 4440.26 4445.58 4452.34 4472.07 4474.66 4479.20 4487.61 4521.67 4603.17 4661.02 4667.45 4678.56 4696.70 4706.28 4720.58 0.394277 0.418828 0.419772 0.337524 -1164.896101 -1164.871551 -1164.870606 -1164.952854 262.818 90.927 173.104 0.000 0.000 0.000 0.889 2.981 43.411 0.889 2.981 35.250 261.041 84.965 94.444 1 0.593 1.985 6.414 2 0.594 1.984 5.796 3 0.594 1.981 5.307 4 0.595 1.978 4.838 5 0.596 1.976 4.662 6 0.597 1.973 4.426 7 0.598 1.970 4.221 8 0.598 1.968 4.128 9 0.600 1.962 3.848 10 0.603 1.952 3.521 11 0.604 1.948 3.432 12 0.609 1.932 3.092 13 0.612 1.923 2.936 14 0.615 1.914 2.811 15 0.620 1.896 2.600 16 0.627 1.876 2.402 17 0.636 1.844 2.163 18 0.640 1.831 2.079 19 0.650 1.803 1.920 20 0.658 1.777 1.793 21 0.664 1.760 1.720 22 0.668 1.747 1.665 23 0.680 1.711 1.537 24 0.700 1.651 1.353 25 0.725 1.582 1.180 26 0.740 1.541 1.093 27 0.747 1.521 1.055 28 0.768 1.466 0.956 29 0.782 1.429 0.895 30 0.797 1.390 0.837 31 0.834 1.299 0.716 32 0.872 1.212 0.616 33 0.915 1.119 0.525 34 0.963 1.023 0.442 35 0.970 1.009 0.431 0.127207e+27 26.104510 60.107857 0.447407e+11 10.650702 24.524149 0.100000e+01 0.000000 0.000000 0.252058e+09 8.401501 19.345172 0.112799e+08 7.052307 16.238536 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2903784 2.536E-9 1.077E-5 0.3942774 0.4188278 -1164.8715506 -1164.8706064 -1164.9528539 -3.3120658,12.8079067,-9.4958409,0.0201463,1.0896965,9.1604428 C01 [X(C18H23N3O4)] -1.9363102 -0.417787 0.6885198 -0.7002538 0.3211841 0.3833883 0.4516665 -1.977617 -0.5076444 0.3752968 -0.5078705 -0.9881284 -0.6509077 -0.0870873 0.4312778 -0.153989 -0.5368454 0.0309657 0.4517778 -0.0463468 -0.65957 -0.688067 0.080106 0.3798759 -0.1203089 -0.8814167 0.4104753 0.4271545 -0.0588085 -1.5222315 -1.0424848 0.0268744 -0.1653067 0.0137086 -0.9499386 0.7010147 0.0713315 0.8222459 -1.7119932 -1.409432 -0.5381869 0.4682772 -0.5847298 -1.0323548 0.5149584 0.323186 0.3392709 -1.0140754 -2.0698112 0.1155399 -0.4246708 0.1948549 -0.1025183 0.1329015 -0.3878845 0.1083652 -0.3356302 -0.9891797 0.0554421 -0.1335834 -0.0002004 -0.4360956 0.0120842 -0.1865782 0.0032862 -0.4359777 -0.0312509 -0.2563951 0.0856757 0.0197742 0.1545775 -0.1084023 -0.1191289 -0.1010832 0.7911214 0.1690138 0.0185662 0.018206 -0.0168264 0.1064014 0.0393208 0.0561343 0.1345776 -0.0380111 0.9082663 0.2773376 0.1477335 0.2030884 0.5621164 0.0130773 0.393606 0.2210475 0.1250718 0.9420402 -0.2643579 -0.6894903 -0.1435033 1.7449592 -0.0026458 -0.7187755 0.4718753 2.0068104 3.0207694 0.3953055 -0.1797243 0.3911309 1.1531875 -1.1772353 -0.3100059 -1.2852315 2.1865262 0.0891123 0.0296602 0.0262202 0.0111781 -0.0145272 0.0023354 0.0248 -0.0179888 0.0964124 0.1412862 0.0035761 -0.3443575 -0.0755892 0.1186024 0.1433686 -0.3187374 0.1924793 0.3453694 0.4206982 -0.0955051 0.0178136 -0.1646567 1.181647 0.1248142 0.0073568 0.0496277 0.3884688 0.1733137 0.065034 0.0427921 0.0054342 0.0492463 -0.0127251 0.1329277 -0.1450248 0.0225596 -0.2138483 -0.0010545 -0.02273 0.0263057 0.0541563 0.100547 -0.0658177 0.0753297 -0.1289063 0.1347114 0.1077692 0.0752657 0.1244429 0.0793551 -0.088745 0.0603612 -0.1105211 0.0589095 0.5506842 0.0542737 0.1218688 0.4027063 -0.0931858 0.0437575 -0.0633944 0.005651 -0.1469956 0.9162132 -0.3239979 0.2450336 -0.5747165 0.0515262 -0.0939526 0.4656308 -0.0519614 0.1306028 -0.1886907 0.0707384 -0.0412005 0.0559316 -0.0161839 -0.0119968 -0.0851373 -0.0133851 -0.2006429 0.2328636 0.1657825 -0.328625 0.1209741 0.0506253 -0.1455252 -0.3476972 -0.1273144 0.1828217 -0.01136 0.126486 0.0210449 0.0697597 0.2062633 -0.0743713 0.03085 -0.0761593 -0.1516168 0.1033952 -0.3547401 -0.0254851 -0.328041 -0.0278986 0.1317323 -0.0704749 0.2313329 0.2312292 -0.3027993 -0.043797 0.1500884 -0.0758852 -0.3942865 -0.0073408 0.094331 0.0038696 0.0606508 0.0463089 0.0347508 -0.0717019 -0.0264619 0.0355518 0.0183346 -0.0551837 0.0366043 0.0505008 -0.1364299 -0.058434 -0.0229171 -0.0497032 -0.0088422 -0.0317479 -0.0461841 -0.0263352 0.0888401 0.0585402 0.0082622 -0.017383 0.0313823 0.0563842 0.0149135 -0.007888 0.0465524 -0.1336145 0.0708654 -0.0638607 0.0201148 -0.0175255 0.0762944 -0.0072323 -0.045936 -0.0157757 0.0150852 -0.1005708 -0.0127181 0.0324715 0.0379963 -0.0288586 -0.035254 0.0366836 -0.1077711 0.1036045 -0.1626296 -0.0955882 -0.0508085 -0.037201 0.0217659 0.0021315 -0.0578293 0.004021 0.0839397 0.0873516 -0.0128494 -0.0527523 -0.0134659 0.0446608 0.0389481 -0.0536834 0.0903936 -0.1546753 -0.0018397 0.1009966 0.1022759 0.0835684 -0.0646698 -0.0832495 0.0994319 -0.1020015 0.0057654 -0.0939025 -0.0542449 0.0450822 0.0139031 -0.0537904 -0.0302516 0.0379101 0.005018 0.0761111 0.0109221 0.0399033 -0.111589 0.0212489 -0.0505249 -0.0362207 -0.087585 0.0449785 -0.0778335 -0.1522674 -0.082463 0.0532861 -0.0576697 0.0124778 0.0001228 0.0290562 -0.0146165 0.0533659 0.0272656 0.0407862 -0.0949468 0.0203982 0.0311319 0.0464317 -0.0909173 0.0555789 -0.1001051 0.1810722 0.0269568 0.0606466 0.0280958 0.074876 -0.0791822 0.0757064 -0.0755966 0.1023112 -0.1685326 -0.0563897 0.0635039 -0.0266845 0.0166483 -0.0117786 0.0882151 -0.0600039 0.0461 0.0111096 0.0541188 -0.1258472 0.0471516 -0.0041922 0.0466074 -0.0684943 0.0454811 -0.1176401 0.1211134 0.0249192 -0.0286215 -0.0059092 0.0947663 0.0352898 -0.0242202 0.0451078 0.2273741 0.1569985 0.0389766 -0.0532072 0.0213164 0.1667463 0.0028696 -0.0502004 0.0045443 0.1781122 0.1372275 -0.0748672 0.0626836 -0.1008529 0.0469855 0.0277266 0.0682129 0.0261268 0.1586285 0.1751334 -0.0092715 0.0801371 -0.0256147 0.0612127 -0.0398035 0.0851093 -0.0543036 0.1429312 0.010735 -0.0886417 -0.0197511 -0.0539178 0.074972 0.0237745 -0.0169634 0.0118602 0.2041855 0.0464745 0.0959202 -0.0847784 0.0861361 0.1156891 0.0159076 -0.0923703 0.001277 -0.1112271 0.0962195 0.1068195 0.0204585 0.0982941 0.0974462 -0.0786471 0.052592 -0.1132321 -0.0620168 0.0745531 0.0883639 -0.0657442 0.0730053 0.1334733 -0.0104587 -0.1165745 0.0348288 -0.0725184 337.500609|3.8909024|346.9547879|-16.1529187|-4.251279|284.4992731 -0.000009903 0.000030675 -0.000003714 0.000009545 0.000008887 0.000010811 -0.000007983 -0.000000757 0.000009698 0.000005688 -0.000017936 0.000019679 -0.000022300 -0.000009232 0.000000621 0.000026245 0.000024662 -0.000011512 0.000016556 0.000003141 -0.000004767 -0.000021192 0.000001579 0.000010266 -0.000005652 -0.000006533 -0.000006317 0.000008514 -0.000029732 0.000013718 0.000022058 -0.000005843 -0.000035297 -0.000006234 0.000018911 -0.000034013 -0.000003036 0.000000477 -0.000008225 0.000002970 0.000010182 0.000001470 0.000007344 -0.000041252 0.000008376 0.000000121 0.000014022 0.000005927 -0.000019360 -0.000001611 -0.000013686 0.000002466 -0.000010232 -0.000000570 -0.000007971 -0.000004351 0.000019386 -0.000016893 -0.000010958 0.000005544 0.000023026 -0.000011884 0.000014229 -0.000016623 -0.000007671 -0.000021257 0.000003879 0.000002813 0.000007480 0.000002941 0.000004386 0.000002574 0.000006206 0.000000552 0.000000503 0.000002425 -0.000002327 -0.000000425 -0.000005490 0.000008150 0.000008235 -0.000002069 -0.000003790 0.000000550 0.000013162 0.000007106 -0.000001323 -0.000004532 0.000000141 -0.000005721 -0.000006032 -0.000003739 0.000003414 -0.000004397 0.000004751 0.000003461 -0.000007513 -0.000001025 -0.000003504 -0.000000729 0.000007945 -0.000005764 -0.000000929 0.000002022 0.000002219 -0.000000338 0.000002668 0.000004767 0.000004069 -0.000001709 -0.000002764 -0.000005785 -0.000007136 -0.000004241 0.000002905 0.000000294 -0.000000029 0.000003421 0.000001231 -0.000002707 -0.000004638 0.000003105 0.000005511 -0.000005493 0.000007486 0.000007529 0.000001523 0.000000821 0.000000311 0.000003438 0.000002756 -0.000004583 -0.000002170 0.000004241 0.000003186 0.000006284 0.000000307 -0.000001352 0.000006664 0.000002161 0.000001129 0.000005816 0.000002247 0.000001176 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Gaussian 16 12-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/octanol/CONF589/o #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 pefurazoate CONF589 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 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 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 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 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 713 A 688 A 688 1084 713 92 92 2327.0517988557 48 48 48 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 -0.0582649236 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.061717 0.000000 2.248162 4.358161 0.000000 4.645613 4.362682 5.866830 0.000000 2.732547 3.159080 3.603323 2.290420 0.000000 3.747613 4.995718 4.955294 2.284709 2.374386 0.000000 4.405801 6.444847 5.660008 4.394881 4.282106 2.219964 0.000000 2.381294 3.896554 2.422382 3.602346 1.476590 2.877338 4.282379 0.000000 3.706890 4.767686 2.840128 4.373806 2.510265 4.016677 5.509763 1.537241 0.000000 3.432310 2.436827 4.134116 2.740514 1.484881 3.720912 5.699575 2.531851 3.017383 0.000000 1.329848 3.579591 1.213400 4.731917 2.512629 3.853476 4.741518 1.533464 2.545770 3.229974 0.000000 3.596841 4.003215 4.758389 1.223068 1.358447 1.432797 3.606365 2.496919 3.492015 2.415625 3.616184 0.000000 4.918331 5.710100 4.328586 4.097835 2.999846 3.996311 5.664125 2.545294 1.528079 3.512299 3.906173 3.485648 0.000000 3.063973 1.373311 3.736316 4.041416 2.482015 4.723654 6.408205 3.069936 3.608738 1.485553 3.037141 3.598890 4.537943 0.000000 1.458812 3.605317 2.699788 6.003613 4.160078 5.071229 5.333128 3.747008 4.916928 4.656232 2.384117 5.006216 6.248230 3.919538 0.000000 2.392361 3.712268 4.174011 6.174253 4.770850 5.357569 5.432897 4.750907 6.085925 5.208240 3.638471 5.342758 7.284151 4.481381 1.515076 0.000000 3.552083 2.234114 3.523221 5.310456 3.525211 5.822662 7.384707 3.637062 3.809971 2.615479 3.270502 4.783068 4.941846 1.360567 4.085892 4.887086 0.000000 3.773124 4.799745 5.150486 7.683751 6.259919 6.873095 6.753238 6.153181 7.394611 6.580817 4.886121 6.876836 8.680936 5.662000 2.518727 1.537644 5.829700 0.000000 5.085503 6.321712 6.133986 2.874873 3.602318 1.388739 2.258630 4.019992 4.902249 4.869743 5.110063 2.487091 4.505859 6.012785 6.371966 6.615226 7.116816 8.101496 0.000000 3.257003 5.158428 4.667074 3.484637 3.048716 1.378916 1.309782 3.166918 4.526885 4.442616 3.628936 2.535948 4.851095 5.100130 4.346666 4.533428 6.094161 5.971927 2.221971 0.000000 3.828523 2.235534 4.079586 6.235941 4.536048 6.657127 7.991152 4.667998 5.074103 3.718835 3.924222 5.714923 6.297274 2.243611 3.869305 4.429075 1.435236 5.057769 8.014039 6.712509 0.000000 3.535061 1.366161 4.520835 5.719844 4.318659 6.187165 7.440418 4.749036 5.500367 3.593807 4.052957 5.286784 6.631198 2.205032 3.562453 3.674210 2.234119 4.372615 7.548371 6.176341 1.358106 0.000000 5.366853 7.059265 6.462380 4.100286 4.530647 2.191211 1.386935 4.692626 5.693351 5.907506 5.514974 3.569845 5.469016 6.880333 6.470095 6.625396 7.931433 8.013085 1.363127 2.152980 8.705207 8.190473 0.000000 4.910169 5.458227 6.545305 8.215783 7.135034 7.537598 7.315725 7.258488 8.587311 7.404575 6.137447 7.561635 9.779842 6.537003 3.857310 2.520576 6.855408 1.501742 8.691047 6.631829 5.998365 5.077237 8.551919 0.000000 5.953754 6.748475 7.551052 9.202176 8.217987 8.347246 7.808470 8.291552 9.659073 8.606687 7.176375 8.539370 10.827764 7.812893 4.882177 3.589599 8.152818 2.517957 9.395845 7.317041 7.313829 6.409002 9.086521 1.332330 0.000000 2.751459 4.753223 2.894944 3.740443 2.080261 2.367872 3.427257 1.091017 2.126294 3.421573 2.087779 2.557446 2.745228 4.078623 4.071201 5.000922 4.705029 6.415772 3.336045 2.504561 5.659222 5.639438 3.821854 7.485831 8.395031 0.000000 3.933522 4.395091 2.956107 4.731840 2.829028 4.777571 6.396583 2.172921 1.092801 2.777886 2.811948 3.993237 2.173791 3.103455 5.018580 6.197557 3.032649 7.424561 5.758905 5.309569 4.374419 4.987780 6.625102 8.625354 9.778227 3.041835 0.000000 3.979608 5.509679 2.564247 5.337673 3.415485 4.625843 5.761679 2.126703 1.091705 4.027068 2.686040 4.361546 2.160625 4.409618 5.005359 6.319675 4.394004 7.523534 5.441283 4.909513 5.543003 6.079916 6.037531 8.815847 9.826071 2.408031 1.747867 0.000000 4.111396 2.598226 5.139127 2.275400 2.082760 3.834684 5.883337 3.420767 3.991571 1.087789 4.152056 2.434231 4.227699 2.114749 5.295779 5.577723 3.364064 6.951318 4.869434 4.673924 4.270497 3.882327 5.977656 7.580930 8.765508 4.156618 3.807164 5.033058 0.000000 4.216756 3.314307 4.409295 3.218636 2.120784 4.295865 6.352296 2.817656 2.708373 1.090817 3.704197 3.000423 2.970725 2.112987 5.440881 6.157711 2.807360 7.497617 5.290745 5.155307 4.126862 4.300475 6.415825 8.398963 9.614150 3.726859 2.277878 3.757669 1.757024 0.000000 5.113707 6.307215 4.655070 4.157296 3.315294 3.604192 5.023245 2.786082 2.176110 4.175366 4.180443 3.481119 1.094771 5.263026 6.459726 7.446021 5.781299 8.870294 3.857202 4.421168 7.069473 7.287464 4.705185 9.940609 10.898020 2.537514 3.085147 2.522607 4.802014 3.827758 0.000000 5.112449 5.381446 4.911525 3.349539 2.729066 3.820925 5.770717 2.849255 2.188004 2.997763 4.294202 3.024446 1.093665 4.244470 6.505952 7.379169 4.841857 8.823779 4.310326 4.893172 6.214069 6.426248 5.461260 9.809084 10.893579 3.175138 2.546020 3.083111 3.500327 2.384708 1.767785 0.000000 5.819251 6.501903 4.907617 5.061589 4.017908 5.070937 6.675924 3.491086 2.165655 4.312693 4.700975 4.546919 1.093134 5.237861 7.075896 8.199697 5.435485 9.544816 5.484864 5.914651 6.829692 7.326948 6.430155 10.699306 11.766638 3.723443 2.512139 2.488433 5.035651 3.573633 1.768485 1.764674 0.000000 2.076728 3.427405 2.638403 6.476332 4.502803 5.818367 6.317631 4.069386 4.996695 4.693598 2.630179 5.535809 6.425788 3.679457 1.091453 2.173204 3.507232 2.768389 7.161043 5.259196 3.080491 3.032515 7.385177 4.158044 5.279390 4.609195 4.871705 5.070472 5.398998 5.376748 6.797923 6.684152 7.148630 0.000000 2.080658 4.661587 2.692549 6.649933 4.765283 5.391138 5.295694 4.074696 5.167623 5.453395 2.675088 5.558718 6.505962 4.837026 1.092659 2.176666 4.914438 2.833966 6.589229 4.498982 4.772262 4.610643 6.507629 4.230809 5.037023 4.184281 5.401978 5.037913 6.161772 6.158078 6.596949 6.916610 7.292944 1.777024 0.000000 2.649278 4.328293 4.587910 5.985279 4.825168 4.902637 4.632649 4.839001 6.286561 5.508123 3.922039 5.146568 7.352303 5.050244 2.145764 1.094514 5.641388 2.169087 6.042832 3.904246 5.359457 4.550955 5.883573 2.780348 3.557147 4.863875 6.570640 6.516520 5.801510 6.489854 7.359873 7.445635 8.329388 3.068968 2.488275 0.000000 2.574622 2.883920 4.523869 5.669559 4.458731 5.253274 5.676747 4.747829 6.070712 4.659289 3.830769 5.002497 7.192260 3.881516 2.136968 1.094067 4.427725 2.169423 6.547149 4.655375 3.919850 2.919510 6.736212 2.746641 3.964032 5.144922 6.074393 6.478527 4.878020 5.663462 7.447558 7.132318 8.120468 2.521282 3.063089 1.763247 0.000000 4.131518 3.273923 3.510484 5.734679 3.876217 6.207360 7.813210 3.731148 3.464251 3.021826 3.507057 5.180790 4.572170 2.175753 4.720324 5.719734 1.078721 6.648884 7.427553 6.559470 2.259628 3.281458 8.279664 7.773103 9.048976 4.804636 2.500797 3.947581 3.888272 2.829435 5.504100 4.586552 4.869754 4.111257 5.396037 6.446677 5.378326 0.000000 4.031142 4.634056 5.105669 8.037285 6.471925 7.426016 7.545755 6.338266 7.433097 6.582556 4.994091 7.251820 8.795173 5.470217 2.720831 2.154843 5.412682 1.098276 8.722549 6.652551 4.451311 3.915235 8.758732 2.129364 3.207530 6.756974 7.309060 7.555677 7.004074 7.428179 9.107214 8.939001 9.585345 2.515165 3.148943 3.063769 2.508809 6.207993 0.000000 4.113621 5.665857 5.206770 8.283566 6.758769 7.206366 6.815692 6.443119 7.649635 7.235318 5.104088 7.376404 8.963782 6.379506 2.766310 2.172913 6.473277 1.095316 8.373330 6.173538 5.784272 5.262900 8.142087 2.140448 2.646970 6.581441 7.765122 7.630658 7.697652 8.105727 9.072495 9.224856 9.801909 3.102012 2.639064 2.517069 3.075745 7.187125 1.763575 0.000000 5.861089 6.746839 6.780779 2.774148 3.950700 2.156729 3.319611 4.502108 5.134820 5.030107 5.770897 2.762978 4.435990 6.330995 7.216343 7.493309 7.451370 9.004624 1.076805 3.245301 8.453668 8.033656 2.239936 9.585475 10.338736 3.938425 5.941341 5.760543 4.921706 5.289815 3.801602 4.076294 5.320458 7.927710 7.496284 6.986563 7.329938 7.692453 9.570082 9.332623 0.000000 2.333757 4.494738 4.006617 3.884569 2.950128 2.151412 2.138751 2.959061 4.454536 4.224873 2.973907 2.854647 5.101052 4.574009 3.301273 3.471900 5.478339 4.912123 3.248822 1.077947 5.931360 5.369666 3.206937 5.643953 6.384582 2.531131 5.105754 4.791234 4.554791 5.043933 4.848826 5.194826 6.153743 4.250527 3.498580 2.892645 3.667670 6.025838 5.579928 5.128228 4.222741 0.000000 4.585501 3.276155 4.525296 7.304100 5.535939 7.649325 8.886880 5.509245 5.790684 4.744546 4.620962 6.752104 7.077520 3.290507 4.364047 4.960584 2.259949 5.309242 9.011485 7.632177 1.079085 2.178761 9.657507 6.276880 7.558219 6.486156 5.029741 6.122625 5.324998 5.051112 7.875428 7.077303 7.514604 3.401968 5.153641 5.974305 4.566537 2.747025 4.521636 5.964398 9.472536 6.802206 0.000000 4.062745 2.079511 5.287564 6.330097 5.117866 6.749416 7.816652 5.600274 6.480440 4.491265 4.812167 5.946225 7.609558 3.200808 3.811714 3.526391 3.304425 3.947887 8.098435 6.609538 2.241802 1.077945 8.646017 4.397651 5.717784 6.402961 6.029109 7.034321 4.628864 5.279636 8.206318 7.386635 8.349105 3.341953 4.857300 4.426192 2.681066 4.336025 3.454066 4.941519 8.637232 5.747067 2.742853 0.000000 6.389567 8.131691 7.407053 5.008306 5.581368 3.247320 2.158005 5.692650 6.599213 6.948665 6.516307 4.588034 6.257676 7.953123 7.437294 7.560821 8.998173 8.895108 2.198144 3.176425 9.780469 9.262209 1.079047 9.381410 9.815700 4.768656 7.570707 6.874941 6.990875 7.411347 5.394028 6.276919 7.148392 8.379846 7.396234 6.754397 7.717025 9.319559 9.689006 8.960688 2.761037 4.193807 10.726506 9.697813 0.000000 5.101139 5.031469 6.870327 7.934384 7.031180 7.552254 7.571380 7.357916 8.679396 7.130959 6.353535 7.419835 9.813962 6.243293 4.234203 2.839618 6.635656 2.204117 8.722289 6.798552 5.725733 4.654770 8.712883 1.089994 2.092219 7.679937 8.641094 9.031198 7.178992 8.145924 10.041510 9.726788 10.741820 4.442670 4.829557 3.182019 2.622948 7.625244 2.546062 3.091871 9.542861 5.851848 6.054900 3.839002 9.577347 0.000000 6.830574 7.357182 8.538723 9.716885 8.932286 8.973794 8.420797 9.131175 10.530919 9.274428 8.093614 9.155987 11.645780 8.509810 5.847949 4.469226 8.918705 3.505590 9.968568 7.978530 8.045682 7.044937 9.650317 2.114232 1.085677 9.232516 10.643217 10.758772 9.326031 10.311166 11.710310 11.642314 12.610027 6.242016 6.069063 4.371347 4.672239 9.861398 4.116927 3.729711 10.886109 7.105346 8.305194 6.259881 10.341327 2.432209 0.000000 6.148034 7.368299 7.556797 9.670196 8.565712 8.584817 7.828657 8.468842 9.811971 9.080792 7.292666 8.907652 11.008299 8.317803 4.999612 3.905478 8.596603 2.784516 9.590254 7.447934 7.815588 7.033108 9.162272 2.115160 1.087282 8.480920 9.997349 9.864565 9.333985 10.056090 11.014757 11.174023 11.927042 5.448912 4.915421 3.779197 4.522817 9.419488 3.523230 2.458307 10.582381 6.521723 8.018080 6.440980 9.837055 3.073157 1.851041 0.000000 C18H23N3O4 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2679261 0.1702312 0.1297982 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= 688 RedAO= T EigKep= 1.15D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 710 710 710 710 710 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.29037835383 -1165.29037835 1 1.160424901679e+03 -7.369746308771e+03 2.717034910154e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953476932 LenY= 4952967850 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. PT2026.700S Wed Jan 12 02:18:03 2022 GINC-BELVIS10 PAULAPLA 12-Jan-2022 0 Wavefunction pefurazoateCONF589 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2903784 RMSD=1.921e-09 Dipole=-1.9363104,-0.4177868,0.6885197 Quadrupole=-3.3120655,12.8079067,-9.4958412,0.0201467,1.0896957,9.1604417 PG=C01 [X(C18H23N3O4)] 0 0.1352176768 -0.897900329 0.7748115722 0 -1.9489268083 -0.7981639576 -1.4658365271 0 -0.8579981505 -0.4355285999 2.7379635952 0 0.3936649212 2.8489815982 -1.9593792949 0 -0.3593002119 1.6124639234 -0.1845296959 0 1.9384635851 2.1612095331 -0.4230003066 0 3.8941919183 1.3329613503 0.2230440344 0 -0.2570412375 1.3974776148 1.2727424921 0 -1.2027696611 2.3048099343 2.0761443383 0 -1.7099248326 1.5326694222 -0.7963441309 0 -0.3937082051 -0.075620007 1.6762481292 0 0.5957958409 2.2429331933 -0.9164302229 0 -0.9637510551 3.7870126389 1.7915905748 0 -2.3572091842 0.206759252 -0.623567194 0 0.1080549599 -2.3262043137 1.0703474652 0 0.6911959024 -3.040992709 -0.1315176003 0 -3.3155660697 -0.2649365541 0.2191656748 0 0.61410494 -4.5672997047 0.0381692109 0 2.8582471397 3.1970822339 -0.5207845749 0 2.6308503345 1.0537584471 0.0192244831 0 -3.5128339431 -1.6472604349 -0.1127508966 0 -2.6598724957 -1.9167651239 -1.134649546 0 4.0447086839 2.672931542 -0.101630689 0 1.129684171 -5.2955761234 -1.1697301027 0 2.1524702403 -6.149385184 -1.1744915031 0 0.759326795 1.6615498687 1.5686814333 0 -2.2433670541 2.0321711324 1.8836908558 0 -1.0210425957 2.0930758352 3.1315894896 0 -1.5937813824 1.745823325 -1.8567025578 0 -2.3547239497 2.3050781597 -0.3750362394 0 0.073625389 4.0657519571 2.0029632496 0 -1.1726012311 4.0443761582 0.7493577777 0 -1.6113516785 4.4035160533 2.4204621004 0 -0.9279562128 -2.6161793374 1.2543734342 0 0.6913173385 -2.502165698 1.977401236 0 1.7327650152 -2.7347338249 -0.2704445976 0 0.1398027195 -2.7375237367 -1.0264221391 0 -3.8124543336 0.3014911271 0.9911124369 0 -0.4349348434 -4.8473860026 0.2033260465 0 1.1723113442 -4.8756680755 0.9286924829 0 2.5689753657 4.1762575589 -0.8629038693 0 2.1502990691 0.0971917242 0.145795899 0 -4.1961918049 -2.342099367 0.3505483863 0 -2.4506066151 -2.8008352797 -1.7148168537 0 4.9966856812 3.1730723372 -0.0125112908 0 0.6130895061 -5.0810262269 -2.1052429408 0 2.4793915525 -6.6405706982 -2.0858392042 0 2.698562235 -6.3884353707 -0.2651948667 Gaussian 16 12-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/octanol/CONF589/o #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 pefurazoate CONF589 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 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 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 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 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 713 A 688 A 688 1084 713 92 92 2327.0517988557 48 48 48 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 -0.0582649236 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.061717 0.000000 2.248162 4.358161 0.000000 4.645613 4.362682 5.866830 0.000000 2.732547 3.159080 3.603323 2.290420 0.000000 3.747613 4.995718 4.955294 2.284709 2.374386 0.000000 4.405801 6.444847 5.660008 4.394881 4.282106 2.219964 0.000000 2.381294 3.896554 2.422382 3.602346 1.476590 2.877338 4.282379 0.000000 3.706890 4.767686 2.840128 4.373806 2.510265 4.016677 5.509763 1.537241 0.000000 3.432310 2.436827 4.134116 2.740514 1.484881 3.720912 5.699575 2.531851 3.017383 0.000000 1.329848 3.579591 1.213400 4.731917 2.512629 3.853476 4.741518 1.533464 2.545770 3.229974 0.000000 3.596841 4.003215 4.758389 1.223068 1.358447 1.432797 3.606365 2.496919 3.492015 2.415625 3.616184 0.000000 4.918331 5.710100 4.328586 4.097835 2.999846 3.996311 5.664125 2.545294 1.528079 3.512299 3.906173 3.485648 0.000000 3.063973 1.373311 3.736316 4.041416 2.482015 4.723654 6.408205 3.069936 3.608738 1.485553 3.037141 3.598890 4.537943 0.000000 1.458812 3.605317 2.699788 6.003613 4.160078 5.071229 5.333128 3.747008 4.916928 4.656232 2.384117 5.006216 6.248230 3.919538 0.000000 2.392361 3.712268 4.174011 6.174253 4.770850 5.357569 5.432897 4.750907 6.085925 5.208240 3.638471 5.342758 7.284151 4.481381 1.515076 0.000000 3.552083 2.234114 3.523221 5.310456 3.525211 5.822662 7.384707 3.637062 3.809971 2.615479 3.270502 4.783068 4.941846 1.360567 4.085892 4.887086 0.000000 3.773124 4.799745 5.150486 7.683751 6.259919 6.873095 6.753238 6.153181 7.394611 6.580817 4.886121 6.876836 8.680936 5.662000 2.518727 1.537644 5.829700 0.000000 5.085503 6.321712 6.133986 2.874873 3.602318 1.388739 2.258630 4.019992 4.902249 4.869743 5.110063 2.487091 4.505859 6.012785 6.371966 6.615226 7.116816 8.101496 0.000000 3.257003 5.158428 4.667074 3.484637 3.048716 1.378916 1.309782 3.166918 4.526885 4.442616 3.628936 2.535948 4.851095 5.100130 4.346666 4.533428 6.094161 5.971927 2.221971 0.000000 3.828523 2.235534 4.079586 6.235941 4.536048 6.657127 7.991152 4.667998 5.074103 3.718835 3.924222 5.714923 6.297274 2.243611 3.869305 4.429075 1.435236 5.057769 8.014039 6.712509 0.000000 3.535061 1.366161 4.520835 5.719844 4.318659 6.187165 7.440418 4.749036 5.500367 3.593807 4.052957 5.286784 6.631198 2.205032 3.562453 3.674210 2.234119 4.372615 7.548371 6.176341 1.358106 0.000000 5.366853 7.059265 6.462380 4.100286 4.530647 2.191211 1.386935 4.692626 5.693351 5.907506 5.514974 3.569845 5.469016 6.880333 6.470095 6.625396 7.931433 8.013085 1.363127 2.152980 8.705207 8.190473 0.000000 4.910169 5.458227 6.545305 8.215783 7.135034 7.537598 7.315725 7.258488 8.587311 7.404575 6.137447 7.561635 9.779842 6.537003 3.857310 2.520576 6.855408 1.501742 8.691047 6.631829 5.998365 5.077237 8.551919 0.000000 5.953754 6.748475 7.551052 9.202176 8.217987 8.347246 7.808470 8.291552 9.659073 8.606687 7.176375 8.539370 10.827764 7.812893 4.882177 3.589599 8.152818 2.517957 9.395845 7.317041 7.313829 6.409002 9.086521 1.332330 0.000000 2.751459 4.753223 2.894944 3.740443 2.080261 2.367872 3.427257 1.091017 2.126294 3.421573 2.087779 2.557446 2.745228 4.078623 4.071201 5.000922 4.705029 6.415772 3.336045 2.504561 5.659222 5.639438 3.821854 7.485831 8.395031 0.000000 3.933522 4.395091 2.956107 4.731840 2.829028 4.777571 6.396583 2.172921 1.092801 2.777886 2.811948 3.993237 2.173791 3.103455 5.018580 6.197557 3.032649 7.424561 5.758905 5.309569 4.374419 4.987780 6.625102 8.625354 9.778227 3.041835 0.000000 3.979608 5.509679 2.564247 5.337673 3.415485 4.625843 5.761679 2.126703 1.091705 4.027068 2.686040 4.361546 2.160625 4.409618 5.005359 6.319675 4.394004 7.523534 5.441283 4.909513 5.543003 6.079916 6.037531 8.815847 9.826071 2.408031 1.747867 0.000000 4.111396 2.598226 5.139127 2.275400 2.082760 3.834684 5.883337 3.420767 3.991571 1.087789 4.152056 2.434231 4.227699 2.114749 5.295779 5.577723 3.364064 6.951318 4.869434 4.673924 4.270497 3.882327 5.977656 7.580930 8.765508 4.156618 3.807164 5.033058 0.000000 4.216756 3.314307 4.409295 3.218636 2.120784 4.295865 6.352296 2.817656 2.708373 1.090817 3.704197 3.000423 2.970725 2.112987 5.440881 6.157711 2.807360 7.497617 5.290745 5.155307 4.126862 4.300475 6.415825 8.398963 9.614150 3.726859 2.277878 3.757669 1.757024 0.000000 5.113707 6.307215 4.655070 4.157296 3.315294 3.604192 5.023245 2.786082 2.176110 4.175366 4.180443 3.481119 1.094771 5.263026 6.459726 7.446021 5.781299 8.870294 3.857202 4.421168 7.069473 7.287464 4.705185 9.940609 10.898020 2.537514 3.085147 2.522607 4.802014 3.827758 0.000000 5.112449 5.381446 4.911525 3.349539 2.729066 3.820925 5.770717 2.849255 2.188004 2.997763 4.294202 3.024446 1.093665 4.244470 6.505952 7.379169 4.841857 8.823779 4.310326 4.893172 6.214069 6.426248 5.461260 9.809084 10.893579 3.175138 2.546020 3.083111 3.500327 2.384708 1.767785 0.000000 5.819251 6.501903 4.907617 5.061589 4.017908 5.070937 6.675924 3.491086 2.165655 4.312693 4.700975 4.546919 1.093134 5.237861 7.075896 8.199697 5.435485 9.544816 5.484864 5.914651 6.829692 7.326948 6.430155 10.699306 11.766638 3.723443 2.512139 2.488433 5.035651 3.573633 1.768485 1.764674 0.000000 2.076728 3.427405 2.638403 6.476332 4.502803 5.818367 6.317631 4.069386 4.996695 4.693598 2.630179 5.535809 6.425788 3.679457 1.091453 2.173204 3.507232 2.768389 7.161043 5.259196 3.080491 3.032515 7.385177 4.158044 5.279390 4.609195 4.871705 5.070472 5.398998 5.376748 6.797923 6.684152 7.148630 0.000000 2.080658 4.661587 2.692549 6.649933 4.765283 5.391138 5.295694 4.074696 5.167623 5.453395 2.675088 5.558718 6.505962 4.837026 1.092659 2.176666 4.914438 2.833966 6.589229 4.498982 4.772262 4.610643 6.507629 4.230809 5.037023 4.184281 5.401978 5.037913 6.161772 6.158078 6.596949 6.916610 7.292944 1.777024 0.000000 2.649278 4.328293 4.587910 5.985279 4.825168 4.902637 4.632649 4.839001 6.286561 5.508123 3.922039 5.146568 7.352303 5.050244 2.145764 1.094514 5.641388 2.169087 6.042832 3.904246 5.359457 4.550955 5.883573 2.780348 3.557147 4.863875 6.570640 6.516520 5.801510 6.489854 7.359873 7.445635 8.329388 3.068968 2.488275 0.000000 2.574622 2.883920 4.523869 5.669559 4.458731 5.253274 5.676747 4.747829 6.070712 4.659289 3.830769 5.002497 7.192260 3.881516 2.136968 1.094067 4.427725 2.169423 6.547149 4.655375 3.919850 2.919510 6.736212 2.746641 3.964032 5.144922 6.074393 6.478527 4.878020 5.663462 7.447558 7.132318 8.120468 2.521282 3.063089 1.763247 0.000000 4.131518 3.273923 3.510484 5.734679 3.876217 6.207360 7.813210 3.731148 3.464251 3.021826 3.507057 5.180790 4.572170 2.175753 4.720324 5.719734 1.078721 6.648884 7.427553 6.559470 2.259628 3.281458 8.279664 7.773103 9.048976 4.804636 2.500797 3.947581 3.888272 2.829435 5.504100 4.586552 4.869754 4.111257 5.396037 6.446677 5.378326 0.000000 4.031142 4.634056 5.105669 8.037285 6.471925 7.426016 7.545755 6.338266 7.433097 6.582556 4.994091 7.251820 8.795173 5.470217 2.720831 2.154843 5.412682 1.098276 8.722549 6.652551 4.451311 3.915235 8.758732 2.129364 3.207530 6.756974 7.309060 7.555677 7.004074 7.428179 9.107214 8.939001 9.585345 2.515165 3.148943 3.063769 2.508809 6.207993 0.000000 4.113621 5.665857 5.206770 8.283566 6.758769 7.206366 6.815692 6.443119 7.649635 7.235318 5.104088 7.376404 8.963782 6.379506 2.766310 2.172913 6.473277 1.095316 8.373330 6.173538 5.784272 5.262900 8.142087 2.140448 2.646970 6.581441 7.765122 7.630658 7.697652 8.105727 9.072495 9.224856 9.801909 3.102012 2.639064 2.517069 3.075745 7.187125 1.763575 0.000000 5.861089 6.746839 6.780779 2.774148 3.950700 2.156729 3.319611 4.502108 5.134820 5.030107 5.770897 2.762978 4.435990 6.330995 7.216343 7.493309 7.451370 9.004624 1.076805 3.245301 8.453668 8.033656 2.239936 9.585475 10.338736 3.938425 5.941341 5.760543 4.921706 5.289815 3.801602 4.076294 5.320458 7.927710 7.496284 6.986563 7.329938 7.692453 9.570082 9.332623 0.000000 2.333757 4.494738 4.006617 3.884569 2.950128 2.151412 2.138751 2.959061 4.454536 4.224873 2.973907 2.854647 5.101052 4.574009 3.301273 3.471900 5.478339 4.912123 3.248822 1.077947 5.931360 5.369666 3.206937 5.643953 6.384582 2.531131 5.105754 4.791234 4.554791 5.043933 4.848826 5.194826 6.153743 4.250527 3.498580 2.892645 3.667670 6.025838 5.579928 5.128228 4.222741 0.000000 4.585501 3.276155 4.525296 7.304100 5.535939 7.649325 8.886880 5.509245 5.790684 4.744546 4.620962 6.752104 7.077520 3.290507 4.364047 4.960584 2.259949 5.309242 9.011485 7.632177 1.079085 2.178761 9.657507 6.276880 7.558219 6.486156 5.029741 6.122625 5.324998 5.051112 7.875428 7.077303 7.514604 3.401968 5.153641 5.974305 4.566537 2.747025 4.521636 5.964398 9.472536 6.802206 0.000000 4.062745 2.079511 5.287564 6.330097 5.117866 6.749416 7.816652 5.600274 6.480440 4.491265 4.812167 5.946225 7.609558 3.200808 3.811714 3.526391 3.304425 3.947887 8.098435 6.609538 2.241802 1.077945 8.646017 4.397651 5.717784 6.402961 6.029109 7.034321 4.628864 5.279636 8.206318 7.386635 8.349105 3.341953 4.857300 4.426192 2.681066 4.336025 3.454066 4.941519 8.637232 5.747067 2.742853 0.000000 6.389567 8.131691 7.407053 5.008306 5.581368 3.247320 2.158005 5.692650 6.599213 6.948665 6.516307 4.588034 6.257676 7.953123 7.437294 7.560821 8.998173 8.895108 2.198144 3.176425 9.780469 9.262209 1.079047 9.381410 9.815700 4.768656 7.570707 6.874941 6.990875 7.411347 5.394028 6.276919 7.148392 8.379846 7.396234 6.754397 7.717025 9.319559 9.689006 8.960688 2.761037 4.193807 10.726506 9.697813 0.000000 5.101139 5.031469 6.870327 7.934384 7.031180 7.552254 7.571380 7.357916 8.679396 7.130959 6.353535 7.419835 9.813962 6.243293 4.234203 2.839618 6.635656 2.204117 8.722289 6.798552 5.725733 4.654770 8.712883 1.089994 2.092219 7.679937 8.641094 9.031198 7.178992 8.145924 10.041510 9.726788 10.741820 4.442670 4.829557 3.182019 2.622948 7.625244 2.546062 3.091871 9.542861 5.851848 6.054900 3.839002 9.577347 0.000000 6.830574 7.357182 8.538723 9.716885 8.932286 8.973794 8.420797 9.131175 10.530919 9.274428 8.093614 9.155987 11.645780 8.509810 5.847949 4.469226 8.918705 3.505590 9.968568 7.978530 8.045682 7.044937 9.650317 2.114232 1.085677 9.232516 10.643217 10.758772 9.326031 10.311166 11.710310 11.642314 12.610027 6.242016 6.069063 4.371347 4.672239 9.861398 4.116927 3.729711 10.886109 7.105346 8.305194 6.259881 10.341327 2.432209 0.000000 6.148034 7.368299 7.556797 9.670196 8.565712 8.584817 7.828657 8.468842 9.811971 9.080792 7.292666 8.907652 11.008299 8.317803 4.999612 3.905478 8.596603 2.784516 9.590254 7.447934 7.815588 7.033108 9.162272 2.115160 1.087282 8.480920 9.997349 9.864565 9.333985 10.056090 11.014757 11.174023 11.927042 5.448912 4.915421 3.779197 4.522817 9.419488 3.523230 2.458307 10.582381 6.521723 8.018080 6.440980 9.837055 3.073157 1.851041 0.000000 C18H23N3O4 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2679261 0.1702312 0.1297982 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= 688 RedAO= T EigKep= 1.15D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 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= 710 710 710 710 710 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.29037835383 -1165.29037835 1 1.160424901679e+03 -7.369746308771e+03 2.717034910154e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4953476932 LenY= 4952967850 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 4.9853 248.70 0.0537 0.000 92 93 0.69458 -1165.10717280 2 Singlet-A 5.1854 239.10 0.0421 0.000 91 93 0.68482 3 Singlet-A 5.2301 237.06 0.0780 0.000 92 94 0.67607 92 95 0.17418 4 Singlet-A 5.5311 224.16 0.0127 0.000 85 94 0.18141 85 95 0.11286 88 93 0.14477 89 93 0.34030 89 94 0.41621 89 95 0.16098 90 93 -0.15497 90 94 -0.17578 91 94 0.16462 5 Singlet-A 5.5826 222.09 0.0019 0.000 88 93 -0.34714 89 93 -0.24379 89 94 0.14082 91 94 0.48566 6 Singlet-A 5.6071 221.12 0.0055 0.000 88 93 0.35963 89 94 -0.26316 90 94 0.11183 91 94 0.45578 7 Singlet-A 5.7922 214.05 0.1995 0.000 88 93 -0.30147 89 93 0.29754 89 94 -0.14968 90 93 -0.25973 92 95 0.39048 92 97 -0.13496 8 Singlet-A 5.8542 211.79 0.0271 0.000 88 93 0.15247 90 93 0.38907 92 95 0.31012 92 97 -0.37832 92 99 0.15753 9 Singlet-A 5.8987 210.19 0.0449 0.000 88 93 -0.12354 89 93 0.36407 90 93 0.48768 92 97 0.27970 10 Singlet-A 5.9703 207.67 0.0849 0.000 88 93 0.14666 89 93 -0.24466 92 94 -0.16288 92 95 0.41628 92 96 -0.18824 92 97 0.38632 PT65730.399S Wed Jan 12 02:58:57 2022 GINC-BELVIS10 PAULAPLA 12-Jan-2022 0 Electronic spectrum pefurazoate CONF589 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2903784 RMSD=9.969e-10 PG=C01 [X(C18H23N3O4)] 0 0.1352176768 -0.897900329 0.7748115722 0 -1.9489268083 -0.7981639576 -1.4658365271 0 -0.8579981505 -0.4355285999 2.7379635952 0 0.3936649212 2.8489815982 -1.9593792949 0 -0.3593002119 1.6124639234 -0.1845296959 0 1.9384635851 2.1612095331 -0.4230003066 0 3.8941919183 1.3329613503 0.2230440344 0 -0.2570412375 1.3974776148 1.2727424921 0 -1.2027696611 2.3048099343 2.0761443383 0 -1.7099248326 1.5326694222 -0.7963441309 0 -0.3937082051 -0.075620007 1.6762481292 0 0.5957958409 2.2429331933 -0.9164302229 0 -0.9637510551 3.7870126389 1.7915905748 0 -2.3572091842 0.206759252 -0.623567194 0 0.1080549599 -2.3262043137 1.0703474652 0 0.6911959024 -3.040992709 -0.1315176003 0 -3.3155660697 -0.2649365541 0.2191656748 0 0.61410494 -4.5672997047 0.0381692109 0 2.8582471397 3.1970822339 -0.5207845749 0 2.6308503345 1.0537584471 0.0192244831 0 -3.5128339431 -1.6472604349 -0.1127508966 0 -2.6598724957 -1.9167651239 -1.134649546 0 4.0447086839 2.672931542 -0.101630689 0 1.129684171 -5.2955761234 -1.1697301027 0 2.1524702403 -6.149385184 -1.1744915031 0 0.759326795 1.6615498687 1.5686814333 0 -2.2433670541 2.0321711324 1.8836908558 0 -1.0210425957 2.0930758352 3.1315894896 0 -1.5937813824 1.745823325 -1.8567025578 0 -2.3547239497 2.3050781597 -0.3750362394 0 0.073625389 4.0657519571 2.0029632496 0 -1.1726012311 4.0443761582 0.7493577777 0 -1.6113516785 4.4035160533 2.4204621004 0 -0.9279562128 -2.6161793374 1.2543734342 0 0.6913173385 -2.502165698 1.977401236 0 1.7327650152 -2.7347338249 -0.2704445976 0 0.1398027195 -2.7375237367 -1.0264221391 0 -3.8124543336 0.3014911271 0.9911124369 0 -0.4349348434 -4.8473860026 0.2033260465 0 1.1723113442 -4.8756680755 0.9286924829 0 2.5689753657 4.1762575589 -0.8629038693 0 2.1502990691 0.0971917242 0.145795899 0 -4.1961918049 -2.342099367 0.3505483863 0 -2.4506066151 -2.8008352797 -1.7148168537 0 4.9966856812 3.1730723372 -0.0125112908 0 0.6130895061 -5.0810262269 -2.1052429408 0 2.4793915525 -6.6405706982 -2.0858392042 0 2.698562235 -6.3884353707 -0.2651948667 Gaussian 16 12-Jan-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 138 C1[X(C18H23N3O4)] 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; oldchk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/octanol/CONF589/o #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 pefurazoate CONF589 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 45 46 47 48 16 16 16 16 14 14 14 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 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 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 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 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 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 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 1332 A 1182 A 1182 1703 1332 92 92 2327.0517988557 48 48 48 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 -0.0582649236 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 3.061717 0.000000 2.248162 4.358161 0.000000 4.645613 4.362682 5.866830 0.000000 2.732547 3.159080 3.603323 2.290420 0.000000 3.747613 4.995718 4.955294 2.284709 2.374386 0.000000 4.405801 6.444847 5.660008 4.394881 4.282106 2.219964 0.000000 2.381294 3.896554 2.422382 3.602346 1.476590 2.877338 4.282379 0.000000 3.706890 4.767686 2.840128 4.373806 2.510265 4.016677 5.509763 1.537241 0.000000 3.432310 2.436827 4.134116 2.740514 1.484881 3.720912 5.699575 2.531851 3.017383 0.000000 1.329848 3.579591 1.213400 4.731917 2.512629 3.853476 4.741518 1.533464 2.545770 3.229974 0.000000 3.596841 4.003215 4.758389 1.223068 1.358447 1.432797 3.606365 2.496919 3.492015 2.415625 3.616184 0.000000 4.918331 5.710100 4.328586 4.097835 2.999846 3.996311 5.664125 2.545294 1.528079 3.512299 3.906173 3.485648 0.000000 3.063973 1.373311 3.736316 4.041416 2.482015 4.723654 6.408205 3.069936 3.608738 1.485553 3.037141 3.598890 4.537943 0.000000 1.458812 3.605317 2.699788 6.003613 4.160078 5.071229 5.333128 3.747008 4.916928 4.656232 2.384117 5.006216 6.248230 3.919538 0.000000 2.392361 3.712268 4.174011 6.174253 4.770850 5.357569 5.432897 4.750907 6.085925 5.208240 3.638471 5.342758 7.284151 4.481381 1.515076 0.000000 3.552083 2.234114 3.523221 5.310456 3.525211 5.822662 7.384707 3.637062 3.809971 2.615479 3.270502 4.783068 4.941846 1.360567 4.085892 4.887086 0.000000 3.773124 4.799745 5.150486 7.683751 6.259919 6.873095 6.753238 6.153181 7.394611 6.580817 4.886121 6.876836 8.680936 5.662000 2.518727 1.537644 5.829700 0.000000 5.085503 6.321712 6.133986 2.874873 3.602318 1.388739 2.258630 4.019992 4.902249 4.869743 5.110063 2.487091 4.505859 6.012785 6.371966 6.615226 7.116816 8.101496 0.000000 3.257003 5.158428 4.667074 3.484637 3.048716 1.378916 1.309782 3.166918 4.526885 4.442616 3.628936 2.535948 4.851095 5.100130 4.346666 4.533428 6.094161 5.971927 2.221971 0.000000 3.828523 2.235534 4.079586 6.235941 4.536048 6.657127 7.991152 4.667998 5.074103 3.718835 3.924222 5.714923 6.297274 2.243611 3.869305 4.429075 1.435236 5.057769 8.014039 6.712509 0.000000 3.535061 1.366161 4.520835 5.719844 4.318659 6.187165 7.440418 4.749036 5.500367 3.593807 4.052957 5.286784 6.631198 2.205032 3.562453 3.674210 2.234119 4.372615 7.548371 6.176341 1.358106 0.000000 5.366853 7.059265 6.462380 4.100286 4.530647 2.191211 1.386935 4.692626 5.693351 5.907506 5.514974 3.569845 5.469016 6.880333 6.470095 6.625396 7.931433 8.013085 1.363127 2.152980 8.705207 8.190473 0.000000 4.910169 5.458227 6.545305 8.215783 7.135034 7.537598 7.315725 7.258488 8.587311 7.404575 6.137447 7.561635 9.779842 6.537003 3.857310 2.520576 6.855408 1.501742 8.691047 6.631829 5.998365 5.077237 8.551919 0.000000 5.953754 6.748475 7.551052 9.202176 8.217987 8.347246 7.808470 8.291552 9.659073 8.606687 7.176375 8.539370 10.827764 7.812893 4.882177 3.589599 8.152818 2.517957 9.395845 7.317041 7.313829 6.409002 9.086521 1.332330 0.000000 2.751459 4.753223 2.894944 3.740443 2.080261 2.367872 3.427257 1.091017 2.126294 3.421573 2.087779 2.557446 2.745228 4.078623 4.071201 5.000922 4.705029 6.415772 3.336045 2.504561 5.659222 5.639438 3.821854 7.485831 8.395031 0.000000 3.933522 4.395091 2.956107 4.731840 2.829028 4.777571 6.396583 2.172921 1.092801 2.777886 2.811948 3.993237 2.173791 3.103455 5.018580 6.197557 3.032649 7.424561 5.758905 5.309569 4.374419 4.987780 6.625102 8.625354 9.778227 3.041835 0.000000 3.979608 5.509679 2.564247 5.337673 3.415485 4.625843 5.761679 2.126703 1.091705 4.027068 2.686040 4.361546 2.160625 4.409618 5.005359 6.319675 4.394004 7.523534 5.441283 4.909513 5.543003 6.079916 6.037531 8.815847 9.826071 2.408031 1.747867 0.000000 4.111396 2.598226 5.139127 2.275400 2.082760 3.834684 5.883337 3.420767 3.991571 1.087789 4.152056 2.434231 4.227699 2.114749 5.295779 5.577723 3.364064 6.951318 4.869434 4.673924 4.270497 3.882327 5.977656 7.580930 8.765508 4.156618 3.807164 5.033058 0.000000 4.216756 3.314307 4.409295 3.218636 2.120784 4.295865 6.352296 2.817656 2.708373 1.090817 3.704197 3.000423 2.970725 2.112987 5.440881 6.157711 2.807360 7.497617 5.290745 5.155307 4.126862 4.300475 6.415825 8.398963 9.614150 3.726859 2.277878 3.757669 1.757024 0.000000 5.113707 6.307215 4.655070 4.157296 3.315294 3.604192 5.023245 2.786082 2.176110 4.175366 4.180443 3.481119 1.094771 5.263026 6.459726 7.446021 5.781299 8.870294 3.857202 4.421168 7.069473 7.287464 4.705185 9.940609 10.898020 2.537514 3.085147 2.522607 4.802014 3.827758 0.000000 5.112449 5.381446 4.911525 3.349539 2.729066 3.820925 5.770717 2.849255 2.188004 2.997763 4.294202 3.024446 1.093665 4.244470 6.505952 7.379169 4.841857 8.823779 4.310326 4.893172 6.214069 6.426248 5.461260 9.809084 10.893579 3.175138 2.546020 3.083111 3.500327 2.384708 1.767785 0.000000 5.819251 6.501903 4.907617 5.061589 4.017908 5.070937 6.675924 3.491086 2.165655 4.312693 4.700975 4.546919 1.093134 5.237861 7.075896 8.199697 5.435485 9.544816 5.484864 5.914651 6.829692 7.326948 6.430155 10.699306 11.766638 3.723443 2.512139 2.488433 5.035651 3.573633 1.768485 1.764674 0.000000 2.076728 3.427405 2.638403 6.476332 4.502803 5.818367 6.317631 4.069386 4.996695 4.693598 2.630179 5.535809 6.425788 3.679457 1.091453 2.173204 3.507232 2.768389 7.161043 5.259196 3.080491 3.032515 7.385177 4.158044 5.279390 4.609195 4.871705 5.070472 5.398998 5.376748 6.797923 6.684152 7.148630 0.000000 2.080658 4.661587 2.692549 6.649933 4.765283 5.391138 5.295694 4.074696 5.167623 5.453395 2.675088 5.558718 6.505962 4.837026 1.092659 2.176666 4.914438 2.833966 6.589229 4.498982 4.772262 4.610643 6.507629 4.230809 5.037023 4.184281 5.401978 5.037913 6.161772 6.158078 6.596949 6.916610 7.292944 1.777024 0.000000 2.649278 4.328293 4.587910 5.985279 4.825168 4.902637 4.632649 4.839001 6.286561 5.508123 3.922039 5.146568 7.352303 5.050244 2.145764 1.094514 5.641388 2.169087 6.042832 3.904246 5.359457 4.550955 5.883573 2.780348 3.557147 4.863875 6.570640 6.516520 5.801510 6.489854 7.359873 7.445635 8.329388 3.068968 2.488275 0.000000 2.574622 2.883920 4.523869 5.669559 4.458731 5.253274 5.676747 4.747829 6.070712 4.659289 3.830769 5.002497 7.192260 3.881516 2.136968 1.094067 4.427725 2.169423 6.547149 4.655375 3.919850 2.919510 6.736212 2.746641 3.964032 5.144922 6.074393 6.478527 4.878020 5.663462 7.447558 7.132318 8.120468 2.521282 3.063089 1.763247 0.000000 4.131518 3.273923 3.510484 5.734679 3.876217 6.207360 7.813210 3.731148 3.464251 3.021826 3.507057 5.180790 4.572170 2.175753 4.720324 5.719734 1.078721 6.648884 7.427553 6.559470 2.259628 3.281458 8.279664 7.773103 9.048976 4.804636 2.500797 3.947581 3.888272 2.829435 5.504100 4.586552 4.869754 4.111257 5.396037 6.446677 5.378326 0.000000 4.031142 4.634056 5.105669 8.037285 6.471925 7.426016 7.545755 6.338266 7.433097 6.582556 4.994091 7.251820 8.795173 5.470217 2.720831 2.154843 5.412682 1.098276 8.722549 6.652551 4.451311 3.915235 8.758732 2.129364 3.207530 6.756974 7.309060 7.555677 7.004074 7.428179 9.107214 8.939001 9.585345 2.515165 3.148943 3.063769 2.508809 6.207993 0.000000 4.113621 5.665857 5.206770 8.283566 6.758769 7.206366 6.815692 6.443119 7.649635 7.235318 5.104088 7.376404 8.963782 6.379506 2.766310 2.172913 6.473277 1.095316 8.373330 6.173538 5.784272 5.262900 8.142087 2.140448 2.646970 6.581441 7.765122 7.630658 7.697652 8.105727 9.072495 9.224856 9.801909 3.102012 2.639064 2.517069 3.075745 7.187125 1.763575 0.000000 5.861089 6.746839 6.780779 2.774148 3.950700 2.156729 3.319611 4.502108 5.134820 5.030107 5.770897 2.762978 4.435990 6.330995 7.216343 7.493309 7.451370 9.004624 1.076805 3.245301 8.453668 8.033656 2.239936 9.585475 10.338736 3.938425 5.941341 5.760543 4.921706 5.289815 3.801602 4.076294 5.320458 7.927710 7.496284 6.986563 7.329938 7.692453 9.570082 9.332623 0.000000 2.333757 4.494738 4.006617 3.884569 2.950128 2.151412 2.138751 2.959061 4.454536 4.224873 2.973907 2.854647 5.101052 4.574009 3.301273 3.471900 5.478339 4.912123 3.248822 1.077947 5.931360 5.369666 3.206937 5.643953 6.384582 2.531131 5.105754 4.791234 4.554791 5.043933 4.848826 5.194826 6.153743 4.250527 3.498580 2.892645 3.667670 6.025838 5.579928 5.128228 4.222741 0.000000 4.585501 3.276155 4.525296 7.304100 5.535939 7.649325 8.886880 5.509245 5.790684 4.744546 4.620962 6.752104 7.077520 3.290507 4.364047 4.960584 2.259949 5.309242 9.011485 7.632177 1.079085 2.178761 9.657507 6.276880 7.558219 6.486156 5.029741 6.122625 5.324998 5.051112 7.875428 7.077303 7.514604 3.401968 5.153641 5.974305 4.566537 2.747025 4.521636 5.964398 9.472536 6.802206 0.000000 4.062745 2.079511 5.287564 6.330097 5.117866 6.749416 7.816652 5.600274 6.480440 4.491265 4.812167 5.946225 7.609558 3.200808 3.811714 3.526391 3.304425 3.947887 8.098435 6.609538 2.241802 1.077945 8.646017 4.397651 5.717784 6.402961 6.029109 7.034321 4.628864 5.279636 8.206318 7.386635 8.349105 3.341953 4.857300 4.426192 2.681066 4.336025 3.454066 4.941519 8.637232 5.747067 2.742853 0.000000 6.389567 8.131691 7.407053 5.008306 5.581368 3.247320 2.158005 5.692650 6.599213 6.948665 6.516307 4.588034 6.257676 7.953123 7.437294 7.560821 8.998173 8.895108 2.198144 3.176425 9.780469 9.262209 1.079047 9.381410 9.815700 4.768656 7.570707 6.874941 6.990875 7.411347 5.394028 6.276919 7.148392 8.379846 7.396234 6.754397 7.717025 9.319559 9.689006 8.960688 2.761037 4.193807 10.726506 9.697813 0.000000 5.101139 5.031469 6.870327 7.934384 7.031180 7.552254 7.571380 7.357916 8.679396 7.130959 6.353535 7.419835 9.813962 6.243293 4.234203 2.839618 6.635656 2.204117 8.722289 6.798552 5.725733 4.654770 8.712883 1.089994 2.092219 7.679937 8.641094 9.031198 7.178992 8.145924 10.041510 9.726788 10.741820 4.442670 4.829557 3.182019 2.622948 7.625244 2.546062 3.091871 9.542861 5.851848 6.054900 3.839002 9.577347 0.000000 6.830574 7.357182 8.538723 9.716885 8.932286 8.973794 8.420797 9.131175 10.530919 9.274428 8.093614 9.155987 11.645780 8.509810 5.847949 4.469226 8.918705 3.505590 9.968568 7.978530 8.045682 7.044937 9.650317 2.114232 1.085677 9.232516 10.643217 10.758772 9.326031 10.311166 11.710310 11.642314 12.610027 6.242016 6.069063 4.371347 4.672239 9.861398 4.116927 3.729711 10.886109 7.105346 8.305194 6.259881 10.341327 2.432209 0.000000 6.148034 7.368299 7.556797 9.670196 8.565712 8.584817 7.828657 8.468842 9.811971 9.080792 7.292666 8.907652 11.008299 8.317803 4.999612 3.905478 8.596603 2.784516 9.590254 7.447934 7.815588 7.033108 9.162272 2.115160 1.087282 8.480920 9.997349 9.864565 9.333985 10.056090 11.014757 11.174023 11.927042 5.448912 4.915421 3.779197 4.522817 9.419488 3.523230 2.458307 10.582381 6.521723 8.018080 6.440980 9.837055 3.073157 1.851041 0.000000 C18H23N3O4 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 0 0 0 0 322.2102999999998 AuxInfo=1/0/N:25,13,24,9,18,16,21,17,23,19,15,22,10,20,14,8,11,12,7,6,5,3,4,2,1/CRV:1.3,3.3,7.3,8.3,9.3,10.3,12.3,14.3,15.3,17.3,18.3,19.2,22.1,23.1/rA:48OOO1O1NNN2CCCC3C3CC3CCC3CC3C3C3C3C3C3C3HHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s5;s8;s5;s1s3s8;s4s5s6;s9;s2s10;s1;s15;s14;s16;s6;s6s7;s17;s2s21;s7s19;s18;s24;s8;s9;s9;s10;s10;s13;s13;s13;s15;s15;s16;s16;s17;s18;s18;s19;s20;s21;s22;s23;s24;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.2679261 0.1702312 0.1297982 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= 1182 RedAO= T EigKep= 1.65D-06 NBF= 1182 NBsUse= 1181 1.00D-06 EigRej= 6.30D-07 NBFU= 1181 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= 1308 1308 1308 1308 1308 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.29674373807 -1165.36935440952 -0.072610671451 -1165.36937942595 -0.000025016431 -1165.36966964279 -0.000290216839 -1165.36971345644 -0.000043813654 -1165.36971902408 -0.000005567635 -1165.36971941249 -0.000000388415 -1165.36971944755 -0.000000035060 -1165.36971945050 -0.000000002946 -1165.36971945119 -0.000000000691 -1165.36971945124 -0.000000000046 -1165.36971945 11 1.160077654265e+03 -7.369829082617e+03 2.717385590316e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 4954521600 LenX= 4950923584 LenY= 4949148028 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. PT53771.900S Wed Jan 12 03:31:19 2022 GINC-BELVIS10 PAULAPLA 12-Jan-2022 0 Single Point pefurazoate CONF589 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.3697195 RMSD=3.564e-09 Dipole=-1.8902272,-0.4172144,0.6438669 Quadrupole=-3.1756917,12.4486408,-9.272949,-0.0749197,1.1697298,9.0844031 PG=C01 [X(C18H23N3O4)] 0 0.1352176768 -0.897900329 0.7748115722 0 -1.9489268083 -0.7981639576 -1.4658365271 0 -0.8579981505 -0.4355285999 2.7379635952 0 0.3936649212 2.8489815982 -1.9593792949 0 -0.3593002119 1.6124639234 -0.1845296959 0 1.9384635851 2.1612095331 -0.4230003066 0 3.8941919183 1.3329613503 0.2230440344 0 -0.2570412375 1.3974776148 1.2727424921 0 -1.2027696611 2.3048099343 2.0761443383 0 -1.7099248326 1.5326694222 -0.7963441309 0 -0.3937082051 -0.075620007 1.6762481292 0 0.5957958409 2.2429331933 -0.9164302229 0 -0.9637510551 3.7870126389 1.7915905748 0 -2.3572091842 0.206759252 -0.623567194 0 0.1080549599 -2.3262043137 1.0703474652 0 0.6911959024 -3.040992709 -0.1315176003 0 -3.3155660697 -0.2649365541 0.2191656748 0 0.61410494 -4.5672997047 0.0381692109 0 2.8582471397 3.1970822339 -0.5207845749 0 2.6308503345 1.0537584471 0.0192244831 0 -3.5128339431 -1.6472604349 -0.1127508966 0 -2.6598724957 -1.9167651239 -1.134649546 0 4.0447086839 2.672931542 -0.101630689 0 1.129684171 -5.2955761234 -1.1697301027 0 2.1524702403 -6.149385184 -1.1744915031 0 0.759326795 1.6615498687 1.5686814333 0 -2.2433670541 2.0321711324 1.8836908558 0 -1.0210425957 2.0930758352 3.1315894896 0 -1.5937813824 1.745823325 -1.8567025578 0 -2.3547239497 2.3050781597 -0.3750362394 0 0.073625389 4.0657519571 2.0029632496 0 -1.1726012311 4.0443761582 0.7493577777 0 -1.6113516785 4.4035160533 2.4204621004 0 -0.9279562128 -2.6161793374 1.2543734342 0 0.6913173385 -2.502165698 1.977401236 0 1.7327650152 -2.7347338249 -0.2704445976 0 0.1398027195 -2.7375237367 -1.0264221391 0 -3.8124543336 0.3014911271 0.9911124369 0 -0.4349348434 -4.8473860026 0.2033260465 0 1.1723113442 -4.8756680755 0.9286924829 0 2.5689753657 4.1762575589 -0.8629038693 0 2.1502990691 0.0971917242 0.145795899 0 -4.1961918049 -2.342099367 0.3505483863 0 -2.4506066151 -2.8008352797 -1.7148168537 0 4.9966856812 3.1730723372 -0.0125112908 0 0.6130895061 -5.0810262269 -2.1052429408 0 2.4793915525 -6.6405706982 -2.0858392042 0 2.698562235 -6.3884353707 -0.2651948667