Gaussian 16 GINC-CIBELES2-310 PAULAPLA Optimization pefurazoate CONF1149 octanol EM64L-G16RevC.01 12-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-3048798/Gau-17865.inp" -scrdir="/temporal/paulapla/opt-b3lyp-pople.com-3048798/" chk=/home/paulapla/almacen/ADAMA/censo_results/pefurazoate/octanol/CONF1149/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 CONF1149 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 1.3189 1.4385 1.3496 1.3472 1.2038 1.2117 1.4569 1.4656 1.3509 1.4175 1.3792 1.3642 1.2975 1.3711 1.5327 1.5279 1.0938 1.5208 1.0918 1.0894 1.4812 1.0883 1.0915 1.0909 1.0901 1.0919 1.3559 1.5138 1.0902 1.0909 1.5207 1.0943 1.0923 1.4273 1.0785 1.4957 1.0952 1.0965 1.3575 1.0761 1.0788 1.3524 1.0777 1.0784 1.0787 1.3284 1.0866 1.0828 1.0832 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 48 119.0049 107.6171 116.9862 123.9426 116.8595 129.5614 123.2959 106.8211 105.7718 112.5712 110.7846 108.0478 115.2553 105.4455 103.9709 112.1839 111.5251 107.5608 110.6591 108.6535 105.9742 113.106 108.1202 110.4239 109.9302 108.8153 106.2176 124.5945 111.4714 123.6766 124.9327 118.4573 116.6098 113.1773 110.1215 111.3698 106.9693 107.6459 107.2846 117.5222 109.8235 132.6423 112.5172 104.3744 110.0667 110.7076 111.0154 107.8708 113.2558 106.1888 110.1111 109.8756 110.589 106.5139 106.3341 126.339 127.3247 115.4349 110.1949 109.6944 107.9407 108.1663 104.8593 105.1373 122.9431 131.8372 111.5993 122.063 126.3236 105.7826 127.5042 126.7109 110.4341 116.6474 132.9144 110.6526 121.9354 127.4097 126.9332 114.7675 118.2991 120.8693 122.9784 116.152 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 1.108 -173.2331 -85.9638 153.9438 38.4205 -179.7976 -0.9023 0.953 -179.6927 -51.0047 79.6861 -167.0308 111.5275 -117.7817 -4.4986 -61.37 176.654 60.8414 134.8385 12.8625 -102.9501 -155.7909 24.0236 6.7616 -173.4239 -132.9101 47.2629 39.6898 -140.1372 174.1982 -2.8562 0.6557 -176.3988 -175.3508 5.9388 -1.305 179.9846 1.3653 -179.9912 -0.9284 178.5573 -55.3803 69.3982 -174.809 176.2308 -58.9907 56.8021 62.1961 -173.0254 -57.2326 -159.4272 26.1703 -30.156 155.4416 84.7298 -89.6727 65.6781 -174.6537 -55.7624 -59.5771 60.091 178.9823 -175.5349 -55.8667 63.0246 -73.8425 107.5704 47.1137 -131.4734 163.0514 -15.5357 0.5133 -178.9687 179.1814 -0.3006 -58.9764 -179.646 65.4243 57.3843 -63.2853 -178.2151 177.164 56.4943 -58.4354 -176.2191 61.2084 -53.745 -57.6615 179.766 64.8126 59.6404 -62.9321 -177.8855 0.0664 179.5463 179.5416 -0.9785 -1.2674 178.8993 122.4973 -57.336 -124.5523 55.6144 0.1476 -179.3029 176.8293 -2.6212 -0.6266 -179.8386 179.8882 0.6761 -179.9238 0.2557 -0.0958 -179.9162 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2358.0737880732 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= 1.15D-06 NBF= 688 NBsUse= 688 1.00D-06 EigRej= -1.00D+00 NBFU= 688 Berny optimization. local minimum Step number 19 out of a maximum of 258 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00200 0.00367 0.00466 0.00541 0.00580 0.00597 0.00708 0.00804 0.01192 0.01517 0.01683 0.01734 0.01800 0.01943 0.02045 0.02265 0.02303 0.02385 0.02452 0.02478 0.02504 0.02577 0.02593 0.02636 0.02758 0.03007 0.03037 0.03105 0.03280 0.03792 0.03860 0.04474 0.04665 0.04844 0.04942 0.05031 0.05227 0.05411 0.05485 0.05534 0.05627 0.05710 0.05922 0.06836 0.07318 0.08295 0.08468 0.08501 0.10018 0.10101 0.11934 0.12251 0.12438 0.13292 0.13589 0.14535 0.15171 0.15930 0.15981 0.15997 0.16000 0.16000 0.16001 0.16002 0.16010 0.16018 0.16084 0.16167 0.20013 0.21337 0.21966 0.22069 0.22155 0.22273 0.22527 0.22680 0.23331 0.23446 0.24247 0.24412 0.24888 0.24988 0.25409 0.25581 0.25726 0.27629 0.28700 0.29544 0.30187 0.30834 0.31030 0.32594 0.32927 0.33520 0.34082 0.34316 0.34420 0.34469 0.34590 0.34614 0.34659 0.34735 0.34777 0.34804 0.34850 0.34916 0.35039 0.35210 0.35260 0.35499 0.35633 0.35660 0.36146 0.36171 0.36191 0.36214 0.36300 0.36494 0.37575 0.38470 0.39650 0.41751 0.44310 0.46600 0.47017 0.47837 0.48796 0.51328 0.52511 0.54006 0.54964 0.59649 0.59957 0.62985 0.65401 0.85819 0.98330 1.01399 -4.97398717e-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 2.51993 2.76508 2.59119 2.58230 2.29003 2.31156 2.78446 2.80517 2.56535 2.70657 2.63042 2.59783 2.47520 2.62037 2.91037 2.90091 2.06321 2.88995 2.06392 2.06125 2.80585 2.05610 2.06182 2.06643 2.06580 2.06895 2.57264 2.87017 2.06099 2.06064 2.88940 2.07112 2.06517 2.71137 2.03837 2.84113 2.07349 2.07688 2.57706 2.03467 2.03822 2.56621 2.03782 2.03744 2.03941 2.51916 2.05887 2.05154 2.05103 2.06223 1.87091 2.05533 2.15128 2.03160 2.25610 2.15686 1.86508 1.84529 1.96328 1.94001 1.87448 2.01630 1.85345 1.80102 1.95477 1.92802 1.86952 1.93650 1.91315 1.85809 1.97689 1.86713 1.92142 1.91380 1.90564 1.87610 2.17181 1.94408 2.16270 2.18201 2.06803 2.03310 1.95940 1.92488 1.93587 1.87871 1.87988 1.88229 2.03813 1.91382 2.33120 1.95142 1.80690 1.89630 1.94634 1.94850 1.90864 1.96951 1.86141 1.90902 1.92231 1.92933 1.86842 1.86191 2.19732 2.22393 2.02405 1.91053 1.91059 1.88819 1.88762 1.83316 1.83746 2.12554 2.31963 1.94602 2.12108 2.21596 1.85283 2.22201 2.20818 1.92521 2.02492 2.33304 1.93066 2.12326 2.22919 2.21690 1.99954 2.06674 2.11113 2.14039 2.03166 0.02926 -3.01267 -1.50300 2.68279 0.65528 3.13795 -0.01203 0.01368 -3.13283 -0.89909 1.39286 -2.93224 1.91294 -2.07829 -0.12021 -1.03841 3.13406 1.10063 2.41011 0.29939 -1.73404 -2.67975 0.47203 0.13640 -2.99501 -2.33454 0.79756 0.68350 -2.46758 3.04554 -0.06481 0.01144 -3.09891 -3.06310 0.09419 -0.02137 3.13592 0.02167 -3.13667 -0.01408 3.11523 -1.00608 1.16209 -3.10425 3.02412 -1.09090 0.92595 1.03961 -3.07540 -1.05856 -2.75553 0.48510 -0.49121 2.74943 1.52338 -1.51917 1.09259 -3.09563 -1.01150 -1.07086 1.02411 3.10825 -3.11805 -1.02309 1.06105 -1.33318 1.81931 0.75096 -2.37974 2.80224 -0.32846 0.00598 -3.14156 3.13724 -0.01030 -1.02364 -3.13658 1.13169 0.99007 -1.12287 -3.13778 3.13097 1.01803 -0.99689 -3.06937 1.07217 -0.92845 -0.99143 -3.13307 1.14949 1.06977 -1.07187 -3.07250 0.00236 3.12520 -3.13316 -0.01033 -0.01654 3.12942 2.13681 -1.00042 -2.16951 0.97646 0.00130 -3.12707 3.10663 -0.02174 -0.00992 3.13778 -3.13295 0.01475 -3.13818 -0.00139 -0.00111 3.13568 0.00000 0.00002 -0.00001 0.00001 -0.00002 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00003 0.00001 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00003 0.00000 0.00001 0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 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 -0.00001 -0.00000 -0.00000 0.00000 0.00001 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 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 -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 0.00006 -0.00001 -0.00000 0.00003 -0.00005 -0.00000 0.00005 0.00001 0.00001 -0.00002 0.00000 -0.00000 -0.00003 0.00001 -0.00001 -0.00007 0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00003 -0.00001 -0.00001 0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00004 -0.00002 -0.00009 -0.00004 0.00005 0.00001 0.00000 -0.00001 0.00001 0.00004 -0.00008 0.00003 -0.00002 -0.00001 0.00005 0.00004 0.00003 -0.00002 0.00001 -0.00004 -0.00004 -0.00002 0.00002 -0.00000 0.00007 -0.00005 -0.00002 0.00001 0.00003 -0.00003 0.00000 0.00002 -0.00002 0.00004 -0.00000 -0.00001 -0.00003 0.00002 -0.00002 0.00009 0.00002 -0.00011 -0.00006 0.00002 0.00007 -0.00001 -0.00002 -0.00000 0.00002 0.00004 -0.00003 -0.00002 -0.00003 0.00002 -0.00000 -0.00001 0.00001 -0.00001 0.00003 -0.00002 -0.00002 0.00003 -0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00003 -0.00002 0.00001 -0.00003 0.00002 -0.00001 -0.00001 0.00002 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00010 -0.00024 -0.00019 -0.00016 -0.00020 0.00019 -0.00005 0.00002 0.00012 0.00023 0.00017 0.00020 -0.00002 -0.00008 -0.00005 -0.00012 -0.00021 -0.00019 0.00013 0.00004 0.00005 0.00029 0.00031 0.00002 0.00004 -0.00028 -0.00030 -0.00017 -0.00019 0.00005 0.00006 -0.00004 -0.00003 -0.00004 -0.00007 0.00005 0.00002 -0.00003 -0.00000 -0.00000 0.00001 0.00009 0.00016 0.00013 0.00019 0.00026 0.00022 0.00014 0.00021 0.00018 0.00009 -0.00006 0.00005 -0.00009 0.00006 -0.00008 -0.00002 -0.00003 -0.00006 -0.00010 -0.00012 -0.00014 -0.00004 -0.00006 -0.00008 0.00016 0.00048 0.00023 0.00054 0.00021 0.00053 0.00006 -0.00000 -0.00024 -0.00030 -0.00006 -0.00008 -0.00011 -0.00008 -0.00010 -0.00012 -0.00010 -0.00012 -0.00015 -0.00009 -0.00008 -0.00007 -0.00004 -0.00003 -0.00002 -0.00004 -0.00004 -0.00003 -0.00005 0.00002 0.00002 0.00008 0.00017 0.00019 0.00019 0.00021 0.00019 0.00021 0.00003 0.00002 0.00001 0.00000 0.00001 -0.00010 -0.00005 -0.00016 -0.00002 -0.00004 -0.00004 -0.00006 -0.00002 0.00005 -0.00002 0.00001 0.00001 -0.00000 0.00001 0.00000 -0.00002 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00003 0.00005 0.00000 -0.00002 -0.00000 0.00002 -0.00000 0.00001 -0.00002 0.00000 0.00001 0.00001 -0.00000 -0.00005 0.00001 -0.00000 -0.00002 -0.00001 0.00001 0.00000 -0.00001 0.00001 0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00002 -0.00001 0.00001 -0.00004 -0.00003 0.00003 0.00000 -0.00001 -0.00002 0.00006 -0.00005 -0.00002 -0.00002 0.00006 0.00001 0.00003 -0.00005 0.00001 -0.00000 0.00001 0.00004 -0.00001 -0.00000 -0.00005 0.00001 0.00002 -0.00003 -0.00004 0.00006 0.00001 0.00000 -0.00001 0.00000 -0.00002 0.00001 0.00001 -0.00001 0.00001 -0.00003 -0.00001 0.00003 -0.00003 -0.00002 -0.00006 0.00009 0.00001 0.00001 -0.00001 0.00001 -0.00001 0.00002 0.00002 -0.00003 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 0.00001 -0.00003 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 -0.00003 0.00001 -0.00002 0.00000 0.00002 0.00001 -0.00001 -0.00000 0.00002 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00011 0.00018 0.00017 0.00010 0.00012 0.00008 0.00008 -0.00007 -0.00002 -0.00006 -0.00006 0.00001 -0.00019 -0.00019 -0.00012 0.00005 0.00009 0.00008 0.00016 0.00021 0.00019 -0.00004 0.00017 -0.00016 0.00004 -0.00003 -0.00023 -0.00002 -0.00022 0.00005 0.00000 0.00004 -0.00001 -0.00006 -0.00004 -0.00005 -0.00003 0.00004 0.00002 -0.00002 -0.00007 0.00002 0.00005 0.00005 -0.00003 0.00001 0.00000 -0.00007 -0.00003 -0.00003 -0.00004 0.00004 -0.00003 0.00005 -0.00004 0.00004 -0.00013 -0.00013 -0.00012 -0.00018 -0.00017 -0.00017 -0.00019 -0.00019 -0.00018 -0.00012 -0.00012 -0.00014 -0.00014 -0.00014 -0.00014 -0.00006 -0.00008 -0.00006 -0.00008 -0.00011 -0.00014 -0.00010 -0.00010 -0.00013 -0.00009 -0.00001 -0.00005 -0.00001 -0.00013 -0.00015 -0.00016 -0.00010 -0.00012 -0.00013 -0.00012 -0.00014 -0.00015 0.00001 -0.00001 0.00004 0.00001 0.00017 0.00014 0.00018 0.00015 0.00018 0.00015 -0.00001 0.00005 0.00004 0.00010 0.00004 -0.00002 0.00006 0.00000 -0.00001 0.00001 0.00002 0.00004 0.00005 0.00004 -0.00002 0.00004 -0.00004 -0.00001 0.00006 0.00001 -0.00001 -0.00003 0.00001 -0.00001 -0.00002 0.00001 -0.00004 -0.00002 0.00001 -0.00002 0.00000 0.00002 0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00001 -0.00001 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00003 -0.00000 -0.00010 -0.00003 0.00002 -0.00002 0.00003 -0.00000 0.00000 0.00002 -0.00002 -0.00002 -0.00004 -0.00003 0.00011 0.00005 0.00006 -0.00007 0.00002 -0.00004 -0.00003 0.00002 0.00001 -0.00001 0.00002 -0.00004 -0.00000 -0.00002 -0.00001 0.00003 0.00001 0.00002 -0.00003 0.00005 -0.00002 -0.00000 -0.00002 0.00000 -0.00001 0.00006 0.00001 -0.00007 -0.00009 0.00000 0.00001 0.00007 -0.00000 0.00001 0.00002 0.00005 -0.00005 0.00001 -0.00001 -0.00002 -0.00001 -0.00000 0.00001 0.00000 0.00003 -0.00002 -0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00001 -0.00001 0.00001 0.00000 -0.00001 -0.00001 -0.00003 0.00004 -0.00000 -0.00002 0.00002 0.00002 -0.00000 -0.00002 -0.00001 0.00001 -0.00000 0.00001 -0.00006 -0.00002 -0.00006 -0.00008 0.00027 0.00002 -0.00005 0.00009 0.00017 0.00011 0.00021 -0.00021 -0.00027 -0.00017 -0.00006 -0.00011 -0.00011 0.00029 0.00025 0.00025 0.00025 0.00048 -0.00015 0.00008 -0.00032 -0.00053 -0.00019 -0.00041 0.00010 0.00006 -0.00001 -0.00004 -0.00010 -0.00011 -0.00000 -0.00001 0.00001 0.00002 -0.00002 -0.00006 0.00011 0.00022 0.00017 0.00016 0.00027 0.00023 0.00008 0.00018 0.00014 0.00005 -0.00002 0.00002 -0.00005 0.00002 -0.00004 -0.00015 -0.00016 -0.00018 -0.00028 -0.00029 -0.00031 -0.00023 -0.00024 -0.00027 0.00005 0.00036 0.00009 0.00041 0.00007 0.00039 0.00001 -0.00008 -0.00029 -0.00038 -0.00017 -0.00022 -0.00021 -0.00018 -0.00023 -0.00022 -0.00012 -0.00017 -0.00016 -0.00022 -0.00023 -0.00023 -0.00014 -0.00015 -0.00015 -0.00016 -0.00018 -0.00018 -0.00003 0.00000 0.00006 0.00010 0.00035 0.00033 0.00038 0.00036 0.00037 0.00035 0.00002 0.00007 0.00006 0.00011 0.00005 -0.00012 0.00001 -0.00016 -0.00003 -0.00004 -0.00001 -0.00002 2.51997 2.76512 2.59116 2.58234 2.28998 2.31156 2.78451 2.80518 2.56534 2.70654 2.63043 2.59783 2.47518 2.62039 2.91033 2.90089 2.06322 2.88993 2.06392 2.06127 2.80585 2.05611 2.06181 2.06644 2.06581 2.06895 2.57264 2.87015 2.06099 2.06063 2.88940 2.07112 2.06518 2.71138 2.03837 2.84112 2.07350 2.07689 2.57706 2.03467 2.03823 2.56620 2.03782 2.03744 2.03941 2.51916 2.05886 2.05154 2.05103 2.06220 1.87090 2.05524 2.15126 2.03161 2.25608 2.15689 1.86508 1.84529 1.96330 1.93998 1.87446 2.01626 1.85341 1.80112 1.95482 1.92809 1.86945 1.93652 1.91311 1.85806 1.97691 1.86714 1.92141 1.91383 1.90560 1.87610 2.17179 1.94408 2.16273 2.18201 2.06805 2.03308 1.95944 1.92486 1.93586 1.87869 1.87988 1.88229 2.03819 1.91383 2.33112 1.95132 1.80690 1.89631 1.94641 1.94849 1.90864 1.96953 1.86146 1.90897 1.92231 1.92931 1.86840 1.86191 2.19732 2.22394 2.02406 1.91055 1.91057 1.88819 1.88762 1.83316 1.83746 2.12553 2.31965 1.94603 2.12109 2.21595 1.85284 2.22201 2.20817 1.92520 2.02489 2.33308 1.93066 2.12324 2.22921 2.21692 1.99954 2.06672 2.11111 2.14040 2.03166 0.02926 -3.01274 -1.50303 2.68273 0.65520 3.13821 -0.01200 0.01364 -3.13273 -0.89892 1.39297 -2.93203 1.91273 -2.07856 -0.12038 -1.03848 3.13395 1.10052 2.41040 0.29964 -1.73379 -2.67951 0.47250 0.13626 -2.99492 -2.33486 0.79703 0.68330 -2.46799 3.04564 -0.06474 0.01143 -3.09895 -3.06320 0.09409 -0.02137 3.13591 0.02168 -3.13665 -0.01410 3.11516 -1.00598 1.16231 -3.10408 3.02427 -1.09063 0.92617 1.03968 -3.07522 -1.05842 -2.75549 0.48508 -0.49119 2.74938 1.52340 -1.51921 1.09244 -3.09579 -1.01168 -1.07114 1.02382 3.10794 -3.11829 -1.02333 1.06079 -1.33313 1.81967 0.75105 -2.37933 2.80231 -0.32807 0.00598 3.14154 3.13695 -0.01068 -1.02381 -3.13680 1.13149 0.98989 -1.12310 -3.13800 3.13085 1.01786 -0.99704 -3.06959 1.07194 -0.92868 -0.99157 -3.13323 1.14933 1.06961 -1.07205 -3.07267 0.00233 3.12520 -3.13310 -0.01023 -0.01619 3.12975 2.13719 -1.00005 -2.16914 0.97681 0.00132 -3.12700 3.10669 -0.02163 -0.00988 3.13765 -3.13294 0.01459 -3.13821 -0.00143 -0.00112 3.13566 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000005 0.001216 0.000277 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.426081e-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 1.3335 1.4632 1.3712 1.3665 1.2118 1.2232 1.4735 1.4844 1.3575 1.4323 1.392 1.3747 1.3098 1.3866 1.5401 1.5351 1.0918 1.5293 1.0922 1.0908 1.4848 1.088 1.0911 1.0935 1.0932 1.0948 1.3614 1.5188 1.0906 1.0904 1.529 1.096 1.0928 1.4348 1.0787 1.5035 1.0972 1.099 1.3637 1.0767 1.0786 1.358 1.0784 1.0782 1.0792 1.3331 1.0895 1.0856 1.0854 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 48 118.157 107.1951 117.7619 123.2593 116.4019 129.265 123.579 106.8613 105.7271 112.4876 111.1541 107.3998 115.5254 106.1948 103.1907 112.0001 110.4676 107.1158 110.9531 109.6153 106.4606 113.2673 106.9787 110.089 109.6529 109.1854 107.4926 124.4355 111.3876 123.9133 125.0197 118.4895 116.4883 112.2651 110.2874 110.9169 107.6422 107.7093 107.8474 116.7765 109.6536 133.5676 111.8078 103.5277 108.6501 111.5171 111.6406 109.3568 112.8448 106.651 109.3785 110.14 110.5423 107.0526 106.6797 125.8973 127.422 115.9697 109.4652 109.4687 108.1855 108.1524 105.0326 105.2789 121.7846 132.9051 111.4987 121.529 126.9653 106.1595 127.3118 126.5192 110.3065 116.0194 133.6732 110.6189 121.6536 127.7231 127.0189 114.5653 118.4154 120.9586 122.6353 116.4056 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 1.6763 -172.6136 -86.1157 153.7127 37.5449 179.7911 -0.6891 0.784 -179.4977 -51.5142 79.8051 -168.0051 109.6033 -119.0774 -6.8876 -59.4966 179.5684 63.0614 138.089 17.154 -99.3531 -153.5384 27.045 7.8153 -171.6012 -133.7594 45.6969 39.1615 -141.3821 174.4968 -3.7131 0.6556 -177.5543 -175.5026 5.3969 -1.2245 179.675 1.2417 -179.7179 -0.8068 178.4894 -57.6443 66.583 -177.8604 173.269 -62.5037 53.0529 59.5652 -176.2075 -60.6509 -157.8805 27.7943 -28.144 157.5308 87.2833 -87.0419 62.6005 -177.3667 -57.9544 -61.3556 58.6772 178.0895 -178.6513 -58.6185 60.7938 -76.3854 104.2388 43.0268 -136.3489 160.5564 -18.8193 0.3426 180.0018 179.7508 -0.59 -58.6502 -179.7126 64.8412 56.7269 -64.3355 -179.7817 179.3912 58.3287 -57.1174 -175.8621 61.431 -53.1964 -56.805 -179.512 65.8607 61.2932 -61.4138 -176.0411 0.1353 179.0605 -179.5171 -0.5918 -0.9477 179.3027 122.43 -57.3196 -124.3036 55.9468 0.0746 -179.168 177.9971 -1.2455 -0.5686 179.7815 -179.505 0.8451 -179.8045 -0.0798 -0.0635 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0608207468 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 4.411799 0.000000 2.234237 2.913360 0.000000 5.811690 4.280579 4.668737 0.000000 3.589089 3.087796 2.786928 2.273284 0.000000 4.812129 4.897961 3.825069 2.261489 2.355755 0.000000 6.290118 7.022016 5.536836 4.053549 4.509438 2.201778 0.000000 2.355741 3.785611 2.413227 3.578717 1.456901 2.846899 4.658466 0.000000 2.754296 4.641192 3.683815 4.388880 2.487170 4.010502 5.643165 1.532724 0.000000 4.189133 2.421376 3.434747 2.728416 1.465648 3.690530 5.869055 2.491703 2.954356 0.000000 1.318947 3.419430 1.203831 4.624897 2.457028 3.732377 5.437984 1.527931 2.584988 3.190006 0.000000 4.689859 3.915418 3.646713 1.211709 1.350907 1.417477 3.545816 2.478987 3.501490 2.400454 3.517122 0.000000 4.220327 5.567338 4.922452 4.128664 2.957816 4.024850 5.424506 2.534227 1.520795 3.402611 3.922687 3.509051 0.000000 3.870937 1.349643 3.009131 3.997499 2.458863 4.679431 6.862271 3.029860 3.536393 1.481211 3.004185 3.561611 4.426552 0.000000 1.438524 4.974056 2.713227 6.999558 4.818837 5.908428 7.253498 3.713746 4.174891 5.333646 2.376753 5.880285 5.650365 4.713898 0.000000 2.455380 4.743882 3.308991 7.602112 5.407500 6.886037 8.463751 4.529684 4.845004 5.534480 3.181656 6.598945 6.365476 4.562044 1.513811 0.000000 3.798614 2.213826 3.534318 5.273893 3.531803 5.813742 7.949965 3.657781 3.773430 2.598707 3.364214 4.769784 4.842378 1.355858 4.447259 3.940890 0.000000 2.984451 5.284374 4.332590 8.062645 5.821551 7.572015 9.234805 4.900051 4.740114 5.722201 3.881331 7.121034 6.194144 4.782533 2.534138 1.520660 3.835791 0.000000 4.475982 5.084290 3.351425 3.473233 3.043331 1.379162 2.244016 3.119069 4.485206 4.432261 3.474456 2.530126 4.848110 5.077920 5.319828 6.417344 6.111948 7.322389 0.000000 5.924929 6.205329 5.140317 2.844954 3.543200 1.364200 1.297534 3.949228 4.857469 4.800541 4.964869 2.448135 4.505268 5.935306 7.044931 8.120971 7.067468 8.762815 2.202739 0.000000 4.330389 2.217263 3.745038 6.172287 4.516279 6.618342 8.722557 4.647193 5.002385 3.697186 3.947565 5.671649 6.180516 2.228041 4.552210 3.705116 1.427333 3.827348 6.702617 7.942607 0.000000 4.640686 1.347213 3.369787 5.623934 4.253685 6.091914 8.166323 4.655437 5.377413 3.565130 3.935843 5.197099 6.484769 2.176494 4.859964 4.245531 2.217294 4.768393 6.106164 7.430907 1.352422 0.000000 5.491194 6.431863 4.594557 4.333598 4.267291 2.173195 1.371059 4.241584 5.447316 5.682187 4.656268 3.565344 5.604818 6.417585 6.269099 7.497703 7.441647 8.420892 1.357527 2.128494 8.048928 7.448818 0.000000 4.402461 5.754939 5.414838 9.018503 6.860035 8.777264 10.555257 6.130029 5.930471 6.496425 5.130716 8.184341 7.325976 5.358978 3.889658 2.550118 4.189834 1.495676 8.578843 10.015434 3.849985 4.951633 9.740199 0.000000 5.162562 5.801161 5.724593 9.491862 7.426048 9.313688 11.128840 6.853316 6.876804 6.998935 5.712261 8.706080 8.300497 5.694120 4.465782 2.963528 4.571572 2.527748 9.035705 10.611781 3.809965 4.759856 10.229781 1.328419 0.000000 2.751085 4.670002 2.857862 3.724540 2.075159 2.355608 3.790614 1.093777 2.106786 3.389729 2.082758 2.552744 2.731507 4.056443 4.026037 5.111751 4.739182 5.596369 2.475004 3.268497 5.662926 5.573812 3.383605 6.928871 7.669644 0.000000 2.936177 4.293338 3.873672 4.790621 2.844750 4.793334 6.598439 2.183894 1.091840 2.763463 2.859799 4.037394 2.162540 3.052140 4.229804 4.553857 2.984280 4.213075 5.284990 5.739007 4.287556 4.871787 6.359712 5.223914 6.178882 3.036095 0.000000 2.461377 5.410212 3.978676 5.334295 3.395732 4.597569 5.956080 2.131564 1.089382 3.981952 2.780888 4.354743 2.135266 4.373624 3.788419 4.610633 4.415188 4.441533 4.842999 5.363525 5.527003 5.995538 5.671834 5.750045 6.796303 2.374676 1.741707 0.000000 5.204663 2.634840 4.154326 2.264201 2.079583 3.830373 5.967459 3.393188 3.932079 1.088293 4.111045 2.433391 4.111718 2.115973 6.303430 6.474805 3.327113 6.721162 4.710606 4.826148 4.248257 3.884589 5.904638 7.407296 7.805521 4.142048 3.790665 4.986840 0.000000 4.446088 3.301869 4.203535 3.254694 2.110944 4.278773 6.355824 2.779585 2.637031 1.091525 3.690667 3.014571 2.835856 2.104352 5.684382 5.853667 2.765614 5.767129 5.140156 5.230750 4.088243 4.268844 6.308970 6.510527 7.161396 3.681482 2.264065 3.697075 1.743369 0.000000 4.851591 5.260620 5.147983 3.447445 2.730050 3.921491 5.487244 2.871012 2.192866 2.896928 4.314288 3.115570 1.090860 4.133296 6.279710 6.868999 4.714037 6.726719 4.965456 4.389209 6.080208 6.288045 5.783774 7.741231 8.625146 3.211408 2.542758 3.068916 3.386674 2.240510 0.000000 4.788777 6.372366 5.800457 5.114988 3.985788 5.093662 6.361310 3.475320 2.154445 4.225558 4.726210 4.578523 1.090062 5.139731 6.166387 6.802416 5.335859 6.402254 5.894737 5.479937 6.711539 7.187188 6.590238 7.469879 8.545663 3.688899 2.500301 2.442113 4.937657 3.466076 1.752801 0.000000 4.521477 6.154875 5.152612 4.131416 3.245163 3.608112 4.630142 2.767894 2.171426 4.044393 4.194112 3.460766 1.091859 5.148128 5.929920 6.853428 5.699004 6.836979 4.408304 3.827183 6.970542 7.143656 4.937735 8.075957 9.040651 2.517216 3.076136 2.507345 4.659162 3.675782 1.761883 1.757170 0.000000 2.009153 6.018571 3.692972 7.756518 5.573593 6.514833 7.651822 4.310817 4.534649 6.161959 3.186121 6.601470 5.940322 5.650447 1.090247 2.155793 5.312813 2.775729 5.900354 7.535744 5.498549 5.911480 6.697154 4.164820 4.883060 4.465181 4.662562 3.898564 7.171783 6.394220 6.708769 6.325936 6.146437 0.000000 2.082380 5.031883 2.479490 6.986204 4.961300 5.716689 6.916969 3.989178 4.774435 5.624565 2.557844 5.857595 6.189120 5.026318 1.090902 2.160128 4.975363 3.479676 4.913401 6.848149 4.930141 4.953504 5.797185 4.700224 5.045791 4.143379 4.961203 4.474925 6.495754 6.146094 6.762680 6.830553 6.342434 1.763140 0.000000 3.358436 5.555992 4.061792 8.548078 6.393827 7.721876 9.182049 5.515784 5.889603 6.560789 4.098631 7.531037 7.408727 5.535327 2.100659 1.094280 4.908969 2.154372 7.113701 8.945689 4.457462 4.914322 8.123409 2.796944 2.896424 6.006262 5.636592 5.582223 7.465106 6.927385 7.940010 7.837837 7.844898 2.457691 2.417541 0.000000 2.763927 3.823863 2.859544 7.089178 5.002991 6.589436 8.316356 4.399034 4.904865 4.980374 3.030457 6.176514 6.397674 3.844046 2.149880 1.092341 3.284947 2.161918 6.174545 7.894956 2.805562 3.207465 7.353784 2.821688 2.917243 5.097996 4.543699 4.910771 5.823980 5.427344 6.738102 6.936398 6.934608 3.059166 2.489342 1.752197 0.000000 3.879104 3.253953 4.182785 5.723856 3.920730 6.245531 8.329483 3.826324 3.498754 3.006486 3.719925 5.205708 4.508585 2.175935 4.615810 4.112925 1.078549 3.618169 6.626064 7.418308 2.251084 3.264957 7.905897 3.953734 4.588130 4.903208 2.512897 4.054536 3.826756 2.772006 4.464739 4.796460 5.468488 5.316234 5.333444 5.118780 3.704889 0.000000 2.683161 4.811452 4.098532 7.301731 5.081192 6.978945 8.728629 4.202056 3.845383 4.888588 3.456481 6.412272 5.246328 4.076334 2.801108 2.159139 3.115311 1.095247 6.912299 8.141913 3.475444 4.494581 8.045086 2.108508 3.213373 4.992633 3.200977 3.653076 5.911784 4.805279 5.737934 5.416737 5.974892 3.137560 3.806369 3.063944 2.521355 2.710903 0.000000 3.258860 6.260956 4.984497 8.694160 6.424572 8.020865 9.518110 5.326191 5.009355 6.467217 4.391403 7.692943 6.408532 5.681388 2.737066 2.153738 4.787115 1.096510 7.726492 9.126652 4.904535 5.828801 8.716162 2.112349 3.227250 5.880043 4.596827 4.481385 7.510395 6.428440 7.080704 6.501698 6.975498 2.527034 3.734992 2.517573 3.064941 4.444316 1.737198 0.000000 3.878557 4.449013 2.456229 3.886648 2.994607 2.161955 3.300050 2.960736 4.452737 4.263639 2.842550 2.873824 5.130362 4.597019 4.540450 5.561904 5.547962 6.589733 1.076054 3.231070 5.963573 5.327870 2.224745 7.799104 8.161364 2.562715 5.115002 4.774252 4.638098 5.076812 5.288946 6.165964 4.873438 5.222165 4.035395 6.200702 5.264593 6.150425 6.284767 7.053367 0.000000 6.595640 6.633964 5.914155 2.750884 3.891565 2.141778 2.122630 4.442869 5.106281 4.955730 5.648470 2.730583 4.446306 6.250585 7.813175 8.828002 7.391446 9.339556 3.232511 1.078760 8.374655 7.916399 3.181551 10.554068 11.198227 3.878001 5.942111 5.697461 4.857616 5.229543 4.162317 5.334995 3.768243 8.296202 7.716110 9.713097 8.587464 7.665497 8.625084 9.709049 4.214990 0.000000 4.819713 3.256970 4.510463 7.242641 5.524326 7.622073 9.692281 5.506499 5.732503 4.721662 4.682435 6.715993 6.968757 3.274749 4.794747 3.655165 2.252084 3.590440 7.635076 8.950822 1.077738 2.175581 8.965934 3.216075 2.960798 6.508838 4.944814 6.127866 5.294947 5.007341 6.941864 7.399075 7.792543 5.653739 5.238535 4.239695 2.837012 2.737480 3.441368 4.673078 6.846751 9.402237 0.000000 5.359042 2.069082 3.856242 6.223138 5.041271 6.631365 8.613497 5.483340 6.342550 4.466956 4.642317 5.840399 7.458326 3.174590 5.376428 4.717720 3.287118 5.422173 6.511197 7.964952 2.231166 1.078394 7.812078 5.500101 5.069529 6.313306 5.902678 6.927167 4.648723 5.256788 7.254161 8.204878 8.053468 6.444643 5.293180 5.194707 3.628204 4.318271 5.317467 6.482640 5.663038 8.508828 2.731978 0.000000 5.912325 7.140367 5.060873 5.377797 5.195774 3.227777 2.146591 5.024479 6.237571 6.611347 5.206941 4.593071 6.499335 7.217518 6.491347 7.781213 8.179725 8.808530 2.187583 3.153781 8.678108 8.053305 1.078652 10.147318 10.592474 4.137008 7.155234 6.328937 6.873061 7.267511 6.768211 7.448707 5.806139 6.837515 5.891262 8.284901 7.699384 8.665807 8.549137 9.042237 2.731384 4.169398 9.540581 8.330045 0.000000 5.060957 6.431489 6.257268 9.530538 7.393945 9.400879 11.196205 6.655900 6.218261 6.932052 5.837279 8.740656 7.506912 5.877030 4.715489 3.514153 4.616224 2.186171 9.311172 10.596446 4.453884 5.679994 10.466738 1.086566 2.076991 7.477391 5.421928 6.011412 7.846754 6.782537 7.925434 7.498716 8.321840 4.861972 5.618158 3.802400 3.832640 4.149719 2.487077 2.480828 8.600729 11.058071 3.789887 6.304667 10.922178 0.000000 6.211885 6.496224 6.721054 10.315359 8.311456 10.275464 12.140603 7.814960 7.773667 7.757190 6.728795 9.594973 9.149991 6.413697 5.547273 4.046332 5.226512 3.501309 10.043838 11.581752 4.387867 5.367466 11.260201 2.100792 1.082837 8.672053 6.999399 7.727622 8.507202 7.873213 9.423966 9.341016 9.944210 5.934617 6.118598 3.921961 3.947555 5.197260 4.097770 4.109496 9.169727 12.134159 3.395003 5.605383 11.640745 2.399271 0.000000 5.001307 5.440874 5.237022 9.245619 7.229699 8.969439 10.737230 6.710241 6.972889 6.905282 5.429485 8.441589 8.440262 5.560044 4.157506 2.670181 4.617749 2.831328 8.575859 10.291050 3.669701 4.347294 9.756001 2.122379 1.083193 7.474649 6.382424 6.927831 7.665584 7.229484 8.745642 8.812374 9.104354 4.699296 4.521706 2.419777 2.427429 4.867162 3.584379 3.603185 7.635047 10.947893 2.926491 4.480368 10.056159 3.065903 1.838419 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.4047631 0.1434576 0.1310336 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 4.473823 0.000000 2.252620 3.025347 0.000000 5.863027 4.369976 4.748401 0.000000 3.620759 3.130908 2.824628 2.290199 0.000000 4.855887 4.966555 3.841010 2.284514 2.372471 0.000000 6.333617 7.099975 5.530578 4.095706 4.545625 2.219291 0.000000 2.372278 3.841077 2.429172 3.599250 1.473472 2.865785 4.688816 0.000000 2.763946 4.692586 3.713604 4.388004 2.505787 4.029913 5.680626 1.540102 0.000000 4.236852 2.432942 3.504306 2.743760 1.484430 3.720199 5.921263 2.532251 3.001380 0.000000 1.333487 3.492492 1.211830 4.674934 2.481972 3.754027 5.454217 1.535094 2.601143 3.240640 0.000000 4.730750 3.986178 3.696932 1.223226 1.357525 1.432254 3.579740 2.491588 3.503839 2.416307 3.549870 0.000000 4.228476 5.649235 4.956454 4.120401 2.993630 4.029709 5.440680 2.544655 1.529297 3.485366 3.940631 3.507781 0.000000 3.905652 1.371196 3.099274 4.049051 2.479806 4.722680 6.919925 3.059052 3.561119 1.484790 3.054945 3.600155 4.486415 0.000000 1.463217 5.049699 2.724969 7.073976 4.866023 5.957036 7.288730 3.747081 4.213409 5.400767 2.400141 5.937948 5.684272 4.773014 0.000000 2.469623 4.776556 3.309405 7.660754 5.436505 6.916339 8.485437 4.554465 4.890937 5.581804 3.194402 6.639045 6.419757 4.597507 1.518827 0.000000 3.793374 2.233657 3.598307 5.319831 3.542768 5.843117 7.990203 3.662242 3.775717 2.616155 3.385156 4.797819 4.887465 1.361385 4.473352 3.958706 0.000000 2.982222 5.276067 4.333873 8.098876 5.838002 7.601133 9.269766 4.918118 4.780946 5.748738 3.887367 7.146657 6.252157 4.778154 2.539269 1.529005 3.805132 0.000000 4.521663 5.131932 3.329417 3.508685 3.054085 1.391956 2.261493 3.139191 4.515340 4.452634 3.483221 2.551954 4.864590 5.107938 5.358464 6.428421 6.126321 7.340298 0.000000 5.967545 6.289013 5.155752 2.874831 3.576551 1.374714 1.309819 3.974899 4.883101 4.850353 4.987792 2.473698 4.510438 5.993984 7.089567 8.154254 7.110977 8.800608 2.222038 0.000000 4.332772 2.235938 3.818789 6.246242 4.540097 6.664384 8.774612 4.664023 5.015427 3.718101 3.977264 5.721318 6.232649 2.243498 4.576363 3.704690 1.434794 3.764423 6.728229 8.001951 0.000000 4.683498 1.366497 3.474217 5.728774 4.300309 6.167127 8.247778 4.703632 5.420133 3.591053 3.997587 5.276615 6.562152 2.203484 4.915116 4.254210 2.233221 4.723624 6.158036 7.520590 1.357979 0.000000 5.531024 6.485909 4.561233 4.377271 4.289540 2.190372 1.386643 4.265279 5.483795 5.716191 4.659328 3.595590 5.624242 6.456017 6.294276 7.500523 7.461711 8.439418 1.363724 2.150119 8.077412 7.504351 0.000000 4.410748 5.728574 5.429175 9.055561 6.876519 8.807653 10.592719 6.152856 5.976946 6.517290 5.146504 8.210883 7.397117 5.347689 3.907925 2.571286 4.162125 1.503460 8.595146 10.056775 3.775217 4.882816 9.758110 0.000000 5.189375 5.790814 5.755118 9.552099 7.457840 9.354432 11.169467 6.891011 6.938453 7.035936 5.744615 8.750407 8.387550 5.708593 4.496323 2.991818 4.583295 2.539864 9.055114 10.662385 3.775182 4.709189 10.246690 1.333082 0.000000 2.775219 4.717941 2.843306 3.728602 2.079734 2.358858 3.810443 1.091802 2.121766 3.419833 2.076887 2.549528 2.729096 4.079606 4.057564 5.133916 4.740747 5.623170 2.489658 3.278301 5.675795 5.617169 3.403010 6.959018 7.708167 0.000000 2.968712 4.309266 3.914558 4.746960 2.823367 4.785740 6.616406 2.177414 1.092180 2.760625 2.886449 4.002847 2.173982 3.040184 4.301514 4.635669 2.970826 4.290233 5.293609 5.740452 4.289989 4.890438 6.378072 5.302425 6.270302 3.040505 0.000000 2.426895 5.433603 3.970046 5.348888 3.414067 4.636754 6.020799 2.133184 1.090765 4.016535 2.762825 4.371384 2.156037 4.369952 3.781764 4.610156 4.373444 4.440140 4.890458 5.414870 5.490512 5.997673 5.731285 5.753968 6.811298 2.409261 1.748645 0.000000 5.234008 2.609186 4.184626 2.282537 2.081022 3.834507 5.997169 3.418936 3.985893 1.088043 4.133766 2.435403 4.219083 2.115443 6.344410 6.495728 3.356204 6.733795 4.689766 4.862732 4.267324 3.888166 5.902473 7.415849 7.823776 4.153519 3.800017 5.029338 0.000000 4.517664 3.316086 4.287505 3.215166 2.122870 4.294881 6.400779 2.831820 2.707680 1.091070 3.760799 2.999835 2.938245 2.111821 5.782008 5.943000 2.801437 5.841345 5.162618 5.263607 4.124020 4.301205 6.345244 6.579890 7.244976 3.724106 2.289388 3.761285 1.757252 0.000000 4.853357 5.333976 5.162991 3.368355 2.716722 3.844768 5.421858 2.843649 2.191291 2.967551 4.313055 3.040227 1.093510 4.197052 6.310551 6.928354 4.787674 6.799979 4.905486 4.310979 6.157142 6.371862 5.724085 7.835540 8.734843 3.149862 2.554066 3.081218 3.490349 2.343351 0.000000 4.808198 6.427431 5.840209 5.083136 4.008073 5.107348 6.400609 3.491737 2.166357 4.275900 4.752444 4.567676 1.093176 5.169194 6.215707 6.869903 5.353310 6.472877 5.929706 5.497810 6.737738 7.238124 6.636010 7.548674 8.637199 3.711991 2.507840 2.486609 5.017972 3.530298 1.765044 0.000000 4.503990 6.262209 5.173451 4.190727 3.320366 3.656062 4.677165 2.787611 2.175535 4.161136 4.198467 3.516383 1.094842 5.229273 5.926779 6.872244 5.747757 6.860130 4.451320 3.876450 7.025162 7.235955 4.980249 8.115043 9.097287 2.521519 3.083953 2.510675 4.805861 3.802303 1.767146 1.768430 0.000000 2.019170 6.086172 3.702196 7.819216 5.613938 6.565270 7.695061 4.335856 4.556318 6.218799 3.202070 6.652089 5.951311 5.694503 1.090628 2.170582 5.318038 2.785439 5.953538 7.580688 5.505210 5.956419 6.739836 4.186032 4.916513 4.498652 4.720188 3.880536 7.207707 6.479648 6.718918 6.356043 6.114969 0.000000 2.085797 5.106293 2.456310 7.035030 4.974906 5.724789 6.902793 3.984290 4.776872 5.664400 2.546150 5.883810 6.181010 5.075938 1.090444 2.171971 5.000888 3.491733 4.909302 6.847688 4.970499 5.024118 5.773696 4.731573 5.094830 4.127644 4.997231 4.438445 6.502641 6.210649 6.742970 6.841284 6.297735 1.779579 0.000000 3.383568 5.589969 4.064217 8.613999 6.427072 7.757581 9.205859 5.546106 5.939253 6.609199 4.117702 7.577475 7.464011 5.573470 2.112345 1.095992 4.929746 2.166343 7.130229 8.982585 4.460478 4.923736 8.128955 2.817919 2.918136 6.034963 5.721541 5.588296 7.483261 7.016933 7.998654 7.908605 7.862609 2.488976 2.451039 0.000000 2.756493 3.840565 2.835959 7.124586 5.001551 6.582418 8.297899 4.393773 4.928311 5.004019 3.015329 6.187165 6.434982 3.869969 2.145375 1.092842 3.314616 2.169063 6.139895 7.892643 2.829065 3.217248 7.311068 2.855631 2.971654 5.081893 4.600908 4.886910 5.818176 5.493610 6.780300 6.983704 6.941422 3.064199 2.484003 1.760107 0.000000 3.832292 3.273343 4.214564 5.744205 3.912485 6.249070 8.343421 3.799545 3.468294 3.023945 3.707156 5.208282 4.529749 2.176901 4.608862 4.119601 1.078658 3.584383 6.616635 7.435093 2.259003 3.280522 7.901347 3.941691 4.622003 4.875332 2.477514 3.974921 3.873619 2.818497 4.534308 4.791882 5.483236 5.282566 5.323873 5.129172 3.731332 0.000000 2.657943 4.776741 4.082497 7.312741 5.077177 6.989316 8.751708 4.201948 3.876801 4.895753 3.441340 6.415116 5.302686 4.043803 2.795753 2.158688 3.054036 1.097246 6.912217 8.165135 3.385533 4.426023 8.050512 2.119916 3.228669 5.003993 3.269467 3.645638 5.912285 4.865570 5.810825 5.486789 5.999371 3.135014 3.794730 3.069206 2.508828 2.649707 0.000000 3.248985 6.259399 4.983089 8.726511 6.441437 8.054542 9.560395 5.341459 5.039524 6.493087 4.394151 7.718126 6.450233 5.674711 2.733161 2.160068 4.746563 1.099040 7.756737 9.167103 4.840602 5.791153 8.747849 2.120814 3.238970 5.910387 4.664826 4.473738 7.525585 6.498623 7.138265 6.560167 6.977869 2.526917 3.744820 2.534849 3.070756 4.387907 1.742811 0.000000 3.913660 4.464186 2.410707 3.905129 2.969375 2.162330 3.321833 2.953048 4.456396 4.244770 2.831990 2.872849 5.124080 4.592133 4.574788 5.557198 5.528935 6.584346 1.076703 3.245590 5.959250 5.350507 2.240148 7.789887 8.157097 2.556271 5.098568 4.790189 4.571487 5.065727 5.213995 6.175985 4.889345 5.276452 4.040114 6.207344 5.210055 6.107895 6.254606 7.064567 0.000000 6.630476 6.718657 5.936027 2.766264 3.923217 2.145675 2.139632 4.463257 5.123684 5.006827 5.669902 2.746369 4.445668 6.309133 7.854667 8.862753 7.436946 9.376830 3.249049 1.078582 8.436792 8.008483 3.205221 10.596347 11.252348 3.881448 5.932760 5.742578 4.911608 5.256867 4.080651 5.340722 3.822919 8.332859 7.713042 9.750946 8.590445 7.685589 8.649127 9.745466 4.223185 0.000000 4.795873 3.276444 4.564865 7.313473 5.540957 7.658618 9.731220 5.508579 5.729828 4.742727 4.693121 6.759055 7.006649 3.289287 4.789762 3.630413 2.257705 3.492648 7.649649 8.999256 1.078368 2.179424 8.980756 3.101066 2.898760 6.506803 4.942416 6.067503 5.320062 5.046373 7.014928 7.412367 7.824569 5.628661 5.260749 4.219128 2.857377 2.743943 3.324965 4.571956 6.833766 9.454509 0.000000 5.407977 2.079030 3.957726 6.337135 5.087456 6.711145 8.698487 5.533212 6.386713 4.487325 4.704959 5.925336 7.534665 3.198758 5.434375 4.721317 3.303901 5.373535 6.566387 8.059377 2.242463 1.078166 7.870044 5.422027 5.001412 6.359014 5.922697 6.932467 4.638643 5.282115 7.331425 8.256446 8.146776 6.497240 5.375045 5.199029 3.631466 4.335568 5.247169 6.444346 5.693853 8.605761 2.745628 0.000000 5.955640 7.187030 5.015319 5.422821 5.217692 3.246535 2.158269 5.050806 6.279725 6.643004 5.208103 4.624470 6.522474 7.252290 6.513276 7.777314 8.195302 8.825769 2.196679 3.174299 8.699312 8.099912 1.079210 10.162155 10.601377 4.163501 7.182711 6.395038 6.862779 7.306497 6.712959 7.503534 5.844599 6.885003 5.864492 8.283080 7.646712 8.657414 8.554313 9.077220 2.757862 4.193178 9.546961 8.378201 0.000000 5.056033 6.381974 6.264514 9.544200 7.394335 9.420161 11.229696 6.665191 6.249290 6.932312 5.842057 8.749067 7.566383 5.838931 4.728518 3.534260 4.558262 2.193026 9.321813 10.628699 4.351290 5.587893 10.483048 1.089505 2.084803 7.499127 5.482422 6.004997 7.842399 6.830634 8.013984 7.565358 8.350434 4.876626 5.643617 3.827718 3.862290 4.107933 2.497548 2.489592 8.583873 11.089578 3.647881 6.205586 10.938851 0.000000 6.238653 6.473067 6.754207 10.370439 8.339414 10.313711 12.180700 7.851290 7.834297 7.786998 6.761599 9.635247 9.239841 6.419816 5.580362 4.077438 5.234854 3.516335 10.060742 11.631278 4.348036 5.303638 11.275794 2.108237 1.085630 8.709863 7.087475 7.742717 8.520512 7.949346 9.540820 9.433477 10.005147 5.970499 6.171938 3.948400 4.004970 5.235517 4.116267 4.124861 9.161838 12.187592 3.335450 5.520780 11.648262 2.410156 0.000000 5.034977 5.452893 5.270413 9.321079 7.269083 9.012926 10.772993 6.752329 7.037708 6.953588 5.466333 8.495855 8.526871 5.596332 4.188667 2.692995 4.655250 2.838094 8.593089 10.341802 3.674169 4.327600 9.766169 2.125013 1.085360 7.512317 6.476354 6.943469 7.688278 7.321248 8.849347 8.903363 9.161077 4.734538 4.574486 2.431683 2.483280 4.918845 3.592390 3.610606 7.632398 11.003477 2.918823 4.442086 10.054830 3.073035 1.845164 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3991135 0.1419416 0.1295547 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= 707 706 706 707 707 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 2339.7057659470 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 -0.0597652494 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 2346.5392445285 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 -0.0622275911 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 2296.2601053292 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 -0.0558327146 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 2294.2172841916 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 -0.0548367625 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 2335.9076656196 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 -0.0592165461 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 2343.5001949877 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 -0.0608217754 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 2349.8130072465 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 -0.0616588511 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 2340.1663919803 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 -0.0600549517 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 2345.4535246695 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 -0.0610724403 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 2341.1485645752 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 -0.0605045095 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 2342.2363700587 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 -0.0605570570 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 2342.6496995197 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 -0.0606316615 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 2342.9960337534 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 -0.0607124364 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 2343.0174524698 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 -0.0607352286 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 2342.9291184479 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 -0.0607310284 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 2342.8618960988 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 -0.0607259958 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 2342.8618427985 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 -0.0607265916 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 2342.8430177983 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 -0.0607270289 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= 1.21D-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= 705 705 705 705 705 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1164.60574939249 -1164.82712303546 -0.221373642970 -1165.20359198984 -0.376468954381 -1165.27039540510 -0.066803415252 -1165.28538209797 -0.014986692871 -1165.28602225750 -0.000640159531 -1165.28610686889 -0.000084611394 -1165.28611367165 -0.000006802758 -1165.28611414251 -0.000000470863 -1165.28611424165 -0.000000099138 -1165.28611424807 -0.000000006421 -1165.28611424887 -0.000000000794 -1165.28611424906 -0.000000000196 -1165.28611424909 -0.000000000026 -1165.28611424911 -0.000000000020 -1165.28611425 15 1.161102249517e+03 -7.432620650203e+03 2.748217243759e+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. -3.39896813e+00 -1.08968582e+00 1.63764256e+00 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 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 0.002612762 0.001045523 0.012454540 0.004058239 0.009258473 -0.014105275 -0.001573186 -0.004225046 -0.014069583 -0.011406548 0.014944126 -0.005264426 -0.000345828 0.001215693 -0.001147524 -0.001834534 -0.001306349 0.000600279 0.013477518 0.007840913 -0.002140177 0.005913389 -0.001564145 0.003333958 -0.000605320 -0.001675593 0.004773596 -0.008798297 0.002256785 0.001448507 0.000749967 0.007807603 0.001930144 0.002832865 -0.007428377 0.004234129 -0.000020395 0.003881078 0.002357298 0.000664287 0.008229265 0.011155151 0.004905286 -0.010811486 -0.003125770 -0.000618542 -0.001335633 -0.002869615 -0.001619207 -0.002179785 0.007995930 0.000097995 0.001011620 0.001914647 0.000557622 -0.010369645 -0.004116578 -0.006646059 0.013099943 0.006604564 -0.002969869 -0.005866450 0.003943822 -0.005319920 -0.012860627 -0.008284742 0.008499068 -0.008593804 -0.005275694 -0.000580716 0.000264800 0.002752196 -0.002008176 -0.002800666 -0.002859233 -0.001237204 -0.000978058 -0.001015804 -0.000654072 -0.000418044 -0.001400338 0.001007884 -0.001718463 -0.000703139 0.001168107 -0.000407560 -0.001506002 0.000373418 -0.000661628 0.000057828 -0.000938413 0.000490094 -0.001676387 -0.000332433 -0.000172985 0.002424162 0.001877587 0.000489147 -0.001054747 0.000228440 0.000790221 0.001596383 -0.000676110 0.002439004 -0.000961551 0.000163411 -0.001366583 -0.000206296 0.000320320 0.001407190 -0.000211318 0.000776802 0.000255342 0.000109362 0.000136572 0.001828885 -0.000303896 0.001427591 -0.000399844 0.001018010 -0.001493014 -0.000123702 0.001198726 -0.001264685 -0.000551000 0.000098656 0.000062351 -0.000554856 0.000068986 0.000500567 0.000553117 -0.000327379 0.000533874 -0.000125563 -0.000415011 -0.000848268 0.000161429 0.001877919 -0.001695312 -0.001057761 0.000356234 0.000540187 0.000283402 -0.001264538 0.014944126 0.004603666 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1165.28983963347 -1165.28984303817 -0.000003404697 -1165.28984305493 -0.000000016761 -1165.28984308084 -0.000000025909 -1165.28984308530 -0.000000004460 -1165.28984308587 -0.000000000567 -1165.28984308589 -0.000000000025 -1165.28984308572 0.000000000177 -1165.28984308583 -0.000000000111 -1165.28984309 9 1.160432755146e+03 -7.401710809171e+03 2.733203550033e+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) PT264055.700S Wed Jan 12 05:00:46 2022 -3.50504830e+00 -1.05428646e+00 1.67239180e+00 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2898431 2.53E-9 9.105E-6 -0.9126046,-5.7884098,6.7010144,-10.0279854,2.5769409,12.0142216 C01 [X(C18H23N3O4)] -0.7870185 -2.8340894 2.7463279 -0.000007213 0.000017034 0.000011194 0.000007844 0.000006741 0.000009513 0.000011361 0.000000621 0.000026593 0.000003103 -0.000010107 -0.000008190 0.000007427 0.000008565 -0.000035831 -0.000002852 0.000010638 -0.000003372 -0.000005193 0.000002912 0.000009218 0.000007129 -0.000010726 0.000017368 -0.000016912 0.000016956 -0.000021631 -0.000004465 -0.000005818 0.000008738 -0.000017062 0.000001760 -0.000026402 -0.000003010 0.000006559 0.000016986 -0.000007588 -0.000007959 -0.000006379 0.000011356 -0.000016924 -0.000022670 0.000001123 -0.000029593 -0.000004830 0.000011483 0.000007252 0.000016474 -0.000009010 0.000006879 0.000003048 -0.000000559 0.000000684 -0.000003698 -0.000002403 -0.000007174 -0.000001995 0.000002107 -0.000008829 -0.000005822 0.000008308 -0.000002968 -0.000010516 -0.000006943 -0.000016629 -0.000002742 0.000003771 -0.000001280 0.000011986 -0.000000076 0.000005973 -0.000002068 0.000006264 -0.000000664 0.000002356 -0.000001559 0.000011584 0.000008737 -0.000005785 -0.000000617 0.000004428 0.000003436 0.000000459 0.000002627 -0.000002230 -0.000002902 -0.000010381 -0.000001983 -0.000004156 -0.000012402 -0.000006416 0.000006437 -0.000005036 -0.000013514 0.000003662 -0.000001651 -0.000007685 0.000004012 0.000000642 0.000004464 0.000011504 0.000010168 0.000004085 0.000001478 0.000011772 -0.000000774 0.000002069 0.000002679 0.000005721 -0.000001210 0.000001478 0.000002139 -0.000003880 -0.000006492 -0.000002712 0.000004608 0.000006366 0.000000171 -0.000000681 0.000005615 0.000004627 -0.000000981 0.000008500 -0.000001135 0.000002119 -0.000003706 0.000001519 -0.000003353 -0.000002158 0.000012695 -0.000004953 -0.000005507 0.000003234 0.000003819 0.000004558 -0.000004651 0.000003257 -0.000000907 0.000003480 -0.000002697 0.000000731 0.000004883 -0.000003483 0.000002611 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-CIBELES2-310 PAULAPLA Optimization pefurazoate CONF1149 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 CONF1149 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/CONF1149/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 1.3335 1.4632 1.3712 1.3665 1.2118 1.2232 1.4735 1.4844 1.3575 1.4323 1.392 1.3747 1.3098 1.3866 1.5401 1.5351 1.0918 1.5293 1.0922 1.0908 1.4848 1.088 1.0911 1.0935 1.0932 1.0948 1.3614 1.5188 1.0906 1.0904 1.529 1.096 1.0928 1.4348 1.0787 1.5035 1.0972 1.099 1.3637 1.0767 1.0786 1.358 1.0784 1.0782 1.0792 1.3331 1.0895 1.0856 1.0854 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 48 118.157 107.1951 117.7619 123.2593 116.4019 129.265 123.579 106.8613 105.7271 112.4876 111.1541 107.3998 115.5254 106.1948 103.1907 112.0001 110.4676 107.1158 110.9531 109.6153 106.4606 113.2673 106.9787 110.089 109.6529 109.1854 107.4926 124.4355 111.3876 123.9133 125.0197 118.4895 116.4883 112.2651 110.2874 110.9169 107.6422 107.7093 107.8474 116.7765 109.6536 133.5676 111.8078 103.5277 108.6501 111.5171 111.6406 109.3568 112.8448 106.651 109.3785 110.14 110.5423 107.0526 106.6797 125.8973 127.422 115.9697 109.4652 109.4687 108.1855 108.1524 105.0326 105.2789 121.7846 132.9051 111.4987 121.529 126.9653 106.1595 127.3118 126.5192 110.3065 116.0194 133.6732 110.6189 121.6536 127.7231 127.0189 114.5653 118.4154 120.9586 122.6353 116.4056 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 1.6763 -172.6136 -86.1157 153.7127 37.5449 179.7911 -0.6891 0.784 -179.4977 -51.5142 79.8051 -168.0051 109.6033 -119.0774 -6.8876 -59.4966 179.5684 63.0614 138.089 17.154 -99.3531 -153.5384 27.045 7.8153 -171.6012 -133.7594 45.6969 39.1615 -141.3821 174.4968 -3.7131 0.6556 -177.5543 -175.5026 5.3969 -1.2245 179.675 1.2417 -179.7179 -0.8068 178.4894 -57.6443 66.583 -177.8604 173.269 -62.5037 53.0529 59.5652 -176.2075 -60.6509 -157.8805 27.7943 -28.144 157.5308 87.2833 -87.0419 62.6005 -177.3667 -57.9544 -61.3556 58.6772 178.0895 -178.6513 -58.6185 60.7938 -76.3854 104.2388 43.0268 -136.3489 160.5564 -18.8193 0.3426 -179.9982 179.7508 -0.59 -58.6502 -179.7126 64.8412 56.7269 -64.3355 -179.7817 179.3912 58.3287 -57.1174 -175.8621 61.431 -53.1964 -56.805 -179.512 65.8607 61.2932 -61.4138 -176.0411 0.1353 179.0605 -179.5171 -0.5918 -0.9477 179.3027 122.43 -57.3196 -124.3036 55.9468 0.0746 -179.168 177.9971 -1.2455 -0.5686 179.7815 -179.505 0.8451 -179.8045 -0.0798 -0.0635 179.6613 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00198 0.00232 0.00236 0.00298 0.00374 0.00413 0.00419 0.00567 0.00598 0.00825 0.00991 0.01229 0.01355 0.01391 0.01486 0.01918 0.01957 0.02028 0.02264 0.02294 0.02666 0.02902 0.03026 0.03082 0.03752 0.03791 0.03867 0.03937 0.04040 0.04107 0.04205 0.04402 0.04506 0.04564 0.04641 0.04680 0.05146 0.05162 0.05340 0.05516 0.05954 0.06027 0.06118 0.06329 0.06978 0.07106 0.07330 0.08268 0.08420 0.08784 0.09026 0.09552 0.09982 0.10305 0.10393 0.10582 0.10610 0.10742 0.11203 0.11338 0.11560 0.12132 0.13054 0.13324 0.13397 0.13934 0.14300 0.15991 0.16157 0.16235 0.17868 0.18431 0.19506 0.20200 0.20606 0.20984 0.21202 0.21769 0.22596 0.23190 0.23482 0.23648 0.23927 0.24376 0.24728 0.26207 0.26476 0.27702 0.28170 0.28800 0.29933 0.30690 0.30835 0.31755 0.31938 0.32203 0.32774 0.32817 0.32969 0.33086 0.33316 0.33362 0.33637 0.33858 0.33897 0.34034 0.34127 0.34318 0.34478 0.34533 0.34945 0.35115 0.35390 0.35617 0.36192 0.36658 0.36772 0.36925 0.37125 0.37308 0.37420 0.37638 0.37714 0.38765 0.39747 0.42432 0.42630 0.45531 0.46076 0.46390 0.47388 0.54211 0.57573 0.61586 0.66304 0.77988 0.82372 0.93419 Angle between quadratic step and forces= 75.80 degrees. 1 2 0.00050736 0.00000031 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 2.51993 2.76508 2.59119 2.58230 2.29003 2.31156 2.78446 2.80517 2.56535 2.70657 2.63042 2.59783 2.47520 2.62037 2.91037 2.90091 2.06321 2.88995 2.06392 2.06125 2.80585 2.05610 2.06182 2.06643 2.06580 2.06895 2.57264 2.87017 2.06099 2.06064 2.88940 2.07112 2.06517 2.71137 2.03837 2.84113 2.07349 2.07688 2.57706 2.03467 2.03822 2.56621 2.03782 2.03744 2.03941 2.51916 2.05887 2.05154 2.05103 2.06223 1.87091 2.05533 2.15128 2.03160 2.25610 2.15686 1.86508 1.84529 1.96328 1.94001 1.87448 2.01630 1.85345 1.80102 1.95477 1.92802 1.86952 1.93650 1.91315 1.85809 1.97689 1.86713 1.92142 1.91380 1.90564 1.87610 2.17181 1.94408 2.16270 2.18201 2.06803 2.03310 1.95940 1.92488 1.93587 1.87871 1.87988 1.88229 2.03813 1.91382 2.33120 1.95142 1.80690 1.89630 1.94634 1.94850 1.90864 1.96951 1.86141 1.90902 1.92231 1.92933 1.86842 1.86191 2.19732 2.22393 2.02405 1.91053 1.91059 1.88819 1.88762 1.83316 1.83746 2.12554 2.31963 1.94602 2.12108 2.21596 1.85283 2.22201 2.20818 1.92521 2.02492 2.33304 1.93066 2.12326 2.22919 2.21690 1.99954 2.06674 2.11113 2.14039 2.03166 0.02926 -3.01267 -1.50300 2.68279 0.65528 3.13795 -0.01203 0.01368 -3.13283 -0.89909 1.39286 -2.93224 1.91294 -2.07829 -0.12021 -1.03841 3.13406 1.10063 2.41011 0.29939 -1.73404 -2.67975 0.47203 0.13640 -2.99501 -2.33454 0.79756 0.68350 -2.46758 3.04554 -0.06481 0.01144 -3.09891 -3.06310 0.09419 -0.02137 3.13592 0.02167 -3.13667 -0.01408 3.11523 -1.00608 1.16209 -3.10425 3.02412 -1.09090 0.92595 1.03961 -3.07540 -1.05856 -2.75553 0.48510 -0.49121 2.74943 1.52338 -1.51917 1.09259 -3.09563 -1.01150 -1.07086 1.02411 3.10825 -3.11805 -1.02309 1.06105 -1.33318 1.81931 0.75096 -2.37974 2.80224 -0.32846 0.00598 -3.14156 3.13724 -0.01030 -1.02364 -3.13658 1.13169 0.99007 -1.12287 -3.13778 3.13097 1.01803 -0.99689 -3.06937 1.07217 -0.92845 -0.99143 -3.13307 1.14949 1.06977 -1.07187 -3.07250 0.00236 3.12520 -3.13316 -0.01033 -0.01654 3.12942 2.13681 -1.00042 -2.16951 0.97646 0.00130 -3.12707 3.10663 -0.02174 -0.00992 3.13778 -3.13295 0.01475 -3.13818 -0.00139 -0.00111 3.13568 0.00000 0.00002 -0.00001 0.00001 -0.00002 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 0.00000 -0.00001 0.00000 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00003 0.00001 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00003 0.00000 0.00001 0.00002 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 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 -0.00001 -0.00000 -0.00000 0.00000 0.00001 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 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 0.00010 -0.00006 0.00004 -0.00003 -0.00001 0.00007 0.00000 0.00001 -0.00006 0.00003 -0.00001 -0.00002 0.00001 -0.00004 -0.00000 0.00001 -0.00004 0.00000 0.00003 0.00001 0.00002 -0.00002 0.00000 0.00001 0.00000 0.00000 -0.00005 0.00000 -0.00001 -0.00002 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00002 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00011 -0.00007 -0.00002 -0.00004 0.00006 -0.00000 0.00000 0.00002 -0.00004 -0.00001 -0.00007 -0.00004 0.00015 0.00007 0.00008 -0.00008 0.00002 -0.00007 -0.00003 0.00003 0.00001 0.00004 -0.00005 -0.00002 -0.00000 -0.00001 -0.00005 0.00006 0.00001 0.00004 -0.00005 0.00008 -0.00003 -0.00000 -0.00002 -0.00002 -0.00000 0.00002 0.00002 -0.00004 -0.00013 -0.00005 -0.00000 0.00013 0.00004 0.00000 0.00002 0.00009 -0.00007 0.00004 -0.00002 -0.00006 -0.00002 0.00003 -0.00001 0.00000 0.00004 -0.00002 0.00001 -0.00003 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00002 -0.00002 0.00001 -0.00003 0.00002 -0.00002 -0.00003 0.00006 0.00000 -0.00002 0.00001 0.00002 -0.00000 -0.00002 -0.00001 0.00002 -0.00001 -0.00016 -0.00020 0.00000 -0.00005 -0.00003 0.00034 -0.00001 -0.00002 0.00011 0.00023 0.00012 0.00028 -0.00051 -0.00062 -0.00047 -0.00009 -0.00005 -0.00007 0.00061 0.00065 0.00064 0.00075 0.00103 -0.00001 0.00028 -0.00072 -0.00099 -0.00055 -0.00082 0.00016 0.00010 0.00001 -0.00005 -0.00014 -0.00016 -0.00000 -0.00003 -0.00000 0.00002 0.00001 -0.00011 0.00008 0.00021 0.00017 0.00017 0.00031 0.00027 0.00006 0.00019 0.00015 -0.00001 -0.00004 -0.00007 -0.00011 -0.00006 -0.00010 -0.00034 -0.00034 -0.00037 -0.00052 -0.00052 -0.00055 -0.00045 -0.00045 -0.00048 -0.00004 0.00042 -0.00005 0.00041 -0.00010 0.00037 0.00003 -0.00010 -0.00041 -0.00054 -0.00020 -0.00032 -0.00026 -0.00027 -0.00039 -0.00033 -0.00014 -0.00026 -0.00020 -0.00054 -0.00058 -0.00059 -0.00038 -0.00043 -0.00044 -0.00045 -0.00049 -0.00051 -0.00004 0.00001 0.00009 0.00014 0.00101 0.00092 0.00107 0.00098 0.00106 0.00097 -0.00001 0.00011 0.00006 0.00018 0.00003 -0.00012 -0.00001 -0.00016 -0.00010 -0.00011 -0.00001 -0.00002 0.00001 0.00010 -0.00006 0.00004 -0.00003 -0.00001 0.00007 0.00000 0.00001 -0.00006 0.00003 -0.00001 -0.00002 0.00001 -0.00004 -0.00000 0.00001 -0.00004 0.00000 0.00003 0.00001 0.00002 -0.00002 0.00000 0.00001 0.00000 0.00000 -0.00005 0.00000 -0.00001 -0.00002 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00000 0.00002 -0.00001 -0.00001 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00001 0.00001 -0.00011 -0.00007 -0.00002 -0.00004 0.00006 -0.00000 0.00000 0.00002 -0.00004 -0.00001 -0.00007 -0.00004 0.00015 0.00007 0.00008 -0.00008 0.00002 -0.00007 -0.00003 0.00003 0.00001 0.00004 -0.00005 -0.00002 -0.00000 -0.00001 -0.00005 0.00006 0.00001 0.00004 -0.00005 0.00008 -0.00003 -0.00000 -0.00002 -0.00002 -0.00000 0.00002 0.00002 -0.00004 -0.00013 -0.00005 -0.00000 0.00013 0.00004 0.00000 0.00002 0.00009 -0.00007 0.00004 -0.00002 -0.00006 -0.00002 0.00003 -0.00001 0.00000 0.00004 -0.00002 0.00001 -0.00003 0.00000 -0.00001 0.00001 0.00000 0.00001 0.00002 -0.00002 0.00001 -0.00003 0.00002 -0.00002 -0.00003 0.00006 0.00000 -0.00002 0.00001 0.00002 -0.00000 -0.00002 -0.00001 0.00002 -0.00001 -0.00016 -0.00020 0.00000 -0.00005 -0.00003 0.00034 -0.00001 -0.00002 0.00011 0.00023 0.00012 0.00028 -0.00051 -0.00062 -0.00047 -0.00009 -0.00005 -0.00007 0.00061 0.00065 0.00064 0.00075 0.00103 -0.00001 0.00028 -0.00072 -0.00099 -0.00055 -0.00082 0.00016 0.00010 0.00001 -0.00005 -0.00014 -0.00016 -0.00000 -0.00003 -0.00000 0.00002 0.00001 -0.00011 0.00008 0.00021 0.00017 0.00017 0.00031 0.00027 0.00006 0.00019 0.00015 -0.00001 -0.00004 -0.00007 -0.00011 -0.00006 -0.00010 -0.00034 -0.00034 -0.00037 -0.00052 -0.00052 -0.00055 -0.00045 -0.00045 -0.00048 -0.00004 0.00042 -0.00005 0.00041 -0.00010 0.00037 0.00003 -0.00010 -0.00041 -0.00054 -0.00020 -0.00032 -0.00026 -0.00027 -0.00039 -0.00033 -0.00014 -0.00026 -0.00020 -0.00054 -0.00058 -0.00059 -0.00038 -0.00043 -0.00044 -0.00045 -0.00049 -0.00051 -0.00004 0.00001 0.00009 0.00014 0.00101 0.00092 0.00107 0.00098 0.00106 0.00097 -0.00001 0.00011 0.00006 0.00018 0.00003 -0.00012 -0.00001 -0.00016 -0.00010 -0.00011 -0.00001 -0.00002 2.51993 2.76518 2.59113 2.58235 2.29000 2.31155 2.78453 2.80517 2.56536 2.70651 2.63044 2.59783 2.47518 2.62039 2.91033 2.90090 2.06321 2.88991 2.06392 2.06128 2.80586 2.05612 2.06180 2.06644 2.06581 2.06895 2.57265 2.87012 2.06099 2.06063 2.88938 2.07112 2.06518 2.71138 2.03836 2.84112 2.07350 2.07690 2.57705 2.03467 2.03822 2.56620 2.03782 2.03744 2.03941 2.51915 2.05887 2.05155 2.05103 2.06224 1.87091 2.05522 2.15121 2.03158 2.25606 2.15692 1.86508 1.84529 1.96330 1.93997 1.87447 2.01623 1.85341 1.80117 1.95484 1.92811 1.86944 1.93652 1.91308 1.85806 1.97691 1.86714 1.92145 1.91375 1.90563 1.87610 2.17180 1.94404 2.16275 2.18202 2.06807 2.03306 1.95947 1.92484 1.93586 1.87869 1.87987 1.88229 2.03815 1.91384 2.33116 1.95129 1.80685 1.89630 1.94647 1.94854 1.90864 1.96953 1.86150 1.90895 1.92235 1.92931 1.86836 1.86189 2.19735 2.22392 2.02406 1.91057 1.91057 1.88820 1.88759 1.83317 1.83746 2.12555 2.31963 1.94603 2.12110 2.21594 1.85285 2.22198 2.20819 1.92519 2.02489 2.33310 1.93067 2.12324 2.22920 2.21692 1.99954 2.06672 2.11111 2.14041 2.03165 0.02910 -3.01287 -1.50300 2.68274 0.65525 3.13829 -0.01204 0.01367 -3.13272 -0.89886 1.39299 -2.93197 1.91242 -2.07892 -0.12068 -1.03850 3.13401 1.10056 2.41072 0.30005 -1.73340 -2.67900 0.47306 0.13640 -2.99473 -2.33527 0.79657 0.68294 -2.46840 3.04570 -0.06470 0.01145 -3.09896 -3.06324 0.09403 -0.02138 3.13589 0.02167 -3.13664 -0.01407 3.11512 -1.00600 1.16231 -3.10408 3.02429 -1.09059 0.92622 1.03967 -3.07521 -1.05841 -2.75554 0.48506 -0.49128 2.74932 1.52332 -1.51927 1.09224 -3.09598 -1.01187 -1.07137 1.02359 3.10770 -3.11850 -1.02354 1.06057 -1.33322 1.81973 0.75091 -2.37933 2.80214 -0.32809 0.00601 3.14152 3.13684 -0.01083 -1.02384 -3.13690 1.13143 0.98980 -1.12326 -3.13811 3.13083 1.01776 -0.99709 -3.06991 1.07159 -0.92905 -0.99182 -3.13350 1.14905 1.06932 -1.07236 -3.07300 0.00232 3.12520 -3.13307 -0.01019 -0.01553 3.13034 2.13787 -0.99943 -2.16845 0.97743 0.00129 -3.12696 3.10669 -0.02156 -0.00989 3.13766 -3.13296 0.01459 -3.13828 -0.00150 -0.00112 3.13566 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000028 0.000005 0.002810 0.000507 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -4.623743e-08 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 713 A 688 A 688 1084 713 92 92 2342.8430177983 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 -0.0607270289 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 4.473823 0.000000 2.252620 3.025347 0.000000 5.863027 4.369976 4.748401 0.000000 3.620759 3.130908 2.824628 2.290199 0.000000 4.855887 4.966555 3.841010 2.284514 2.372471 0.000000 6.333617 7.099975 5.530578 4.095706 4.545625 2.219291 0.000000 2.372278 3.841077 2.429172 3.599250 1.473472 2.865785 4.688816 0.000000 2.763946 4.692586 3.713604 4.388004 2.505787 4.029913 5.680626 1.540102 0.000000 4.236852 2.432942 3.504306 2.743760 1.484430 3.720199 5.921263 2.532251 3.001380 0.000000 1.333487 3.492492 1.211830 4.674934 2.481972 3.754027 5.454217 1.535094 2.601143 3.240640 0.000000 4.730750 3.986178 3.696932 1.223226 1.357525 1.432254 3.579740 2.491588 3.503839 2.416307 3.549870 0.000000 4.228476 5.649235 4.956454 4.120401 2.993630 4.029709 5.440680 2.544655 1.529297 3.485366 3.940631 3.507781 0.000000 3.905652 1.371196 3.099274 4.049051 2.479806 4.722680 6.919925 3.059052 3.561119 1.484790 3.054945 3.600155 4.486415 0.000000 1.463217 5.049699 2.724969 7.073976 4.866023 5.957036 7.288730 3.747081 4.213409 5.400767 2.400141 5.937948 5.684272 4.773014 0.000000 2.469623 4.776556 3.309405 7.660754 5.436505 6.916339 8.485437 4.554465 4.890937 5.581804 3.194402 6.639045 6.419757 4.597507 1.518827 0.000000 3.793374 2.233657 3.598307 5.319831 3.542768 5.843117 7.990203 3.662242 3.775717 2.616155 3.385156 4.797819 4.887465 1.361385 4.473352 3.958706 0.000000 2.982222 5.276067 4.333873 8.098876 5.838002 7.601133 9.269766 4.918118 4.780946 5.748738 3.887367 7.146657 6.252157 4.778154 2.539269 1.529005 3.805132 0.000000 4.521663 5.131932 3.329417 3.508685 3.054085 1.391956 2.261493 3.139191 4.515340 4.452634 3.483221 2.551954 4.864590 5.107938 5.358464 6.428421 6.126321 7.340298 0.000000 5.967545 6.289013 5.155752 2.874831 3.576551 1.374714 1.309819 3.974899 4.883101 4.850353 4.987792 2.473698 4.510438 5.993984 7.089567 8.154254 7.110977 8.800608 2.222038 0.000000 4.332772 2.235938 3.818789 6.246242 4.540097 6.664384 8.774612 4.664023 5.015427 3.718101 3.977264 5.721318 6.232649 2.243498 4.576363 3.704690 1.434794 3.764423 6.728229 8.001951 0.000000 4.683498 1.366497 3.474217 5.728774 4.300309 6.167127 8.247778 4.703632 5.420133 3.591053 3.997587 5.276615 6.562152 2.203484 4.915116 4.254210 2.233221 4.723624 6.158036 7.520590 1.357979 0.000000 5.531024 6.485909 4.561233 4.377271 4.289540 2.190372 1.386643 4.265279 5.483795 5.716191 4.659328 3.595590 5.624242 6.456017 6.294276 7.500523 7.461711 8.439418 1.363724 2.150119 8.077412 7.504351 0.000000 4.410748 5.728574 5.429175 9.055561 6.876519 8.807653 10.592719 6.152856 5.976946 6.517290 5.146504 8.210883 7.397117 5.347689 3.907925 2.571286 4.162125 1.503460 8.595146 10.056775 3.775217 4.882816 9.758110 0.000000 5.189375 5.790814 5.755118 9.552099 7.457840 9.354432 11.169467 6.891011 6.938453 7.035936 5.744615 8.750407 8.387550 5.708593 4.496323 2.991818 4.583295 2.539864 9.055114 10.662385 3.775182 4.709189 10.246690 1.333082 0.000000 2.775219 4.717941 2.843306 3.728602 2.079734 2.358858 3.810443 1.091802 2.121766 3.419833 2.076887 2.549528 2.729096 4.079606 4.057564 5.133916 4.740747 5.623170 2.489658 3.278301 5.675795 5.617169 3.403010 6.959018 7.708167 0.000000 2.968712 4.309266 3.914558 4.746960 2.823367 4.785740 6.616406 2.177414 1.092180 2.760625 2.886449 4.002847 2.173982 3.040184 4.301514 4.635669 2.970826 4.290233 5.293609 5.740452 4.289989 4.890438 6.378072 5.302425 6.270302 3.040505 0.000000 2.426895 5.433603 3.970046 5.348888 3.414067 4.636754 6.020799 2.133184 1.090765 4.016535 2.762825 4.371384 2.156037 4.369952 3.781764 4.610156 4.373444 4.440140 4.890458 5.414870 5.490512 5.997673 5.731285 5.753968 6.811298 2.409261 1.748645 0.000000 5.234008 2.609186 4.184626 2.282537 2.081022 3.834507 5.997169 3.418936 3.985893 1.088043 4.133766 2.435403 4.219083 2.115443 6.344410 6.495728 3.356204 6.733795 4.689766 4.862732 4.267324 3.888166 5.902473 7.415849 7.823776 4.153519 3.800017 5.029338 0.000000 4.517664 3.316086 4.287505 3.215166 2.122870 4.294881 6.400779 2.831820 2.707680 1.091070 3.760799 2.999835 2.938245 2.111821 5.782008 5.943000 2.801437 5.841345 5.162618 5.263607 4.124020 4.301205 6.345244 6.579890 7.244976 3.724106 2.289388 3.761285 1.757252 0.000000 4.853357 5.333976 5.162991 3.368355 2.716722 3.844768 5.421858 2.843649 2.191291 2.967551 4.313055 3.040227 1.093510 4.197052 6.310551 6.928354 4.787674 6.799979 4.905486 4.310979 6.157142 6.371862 5.724085 7.835540 8.734843 3.149862 2.554066 3.081218 3.490349 2.343351 0.000000 4.808198 6.427431 5.840209 5.083136 4.008073 5.107348 6.400609 3.491737 2.166357 4.275900 4.752444 4.567676 1.093176 5.169194 6.215707 6.869903 5.353310 6.472877 5.929706 5.497810 6.737738 7.238124 6.636010 7.548674 8.637199 3.711991 2.507840 2.486609 5.017972 3.530298 1.765044 0.000000 4.503990 6.262209 5.173451 4.190727 3.320366 3.656062 4.677165 2.787611 2.175535 4.161136 4.198467 3.516383 1.094842 5.229273 5.926779 6.872244 5.747757 6.860130 4.451320 3.876450 7.025162 7.235955 4.980249 8.115043 9.097287 2.521519 3.083953 2.510675 4.805861 3.802303 1.767146 1.768430 0.000000 2.019170 6.086172 3.702196 7.819216 5.613938 6.565270 7.695061 4.335856 4.556318 6.218799 3.202070 6.652089 5.951311 5.694503 1.090628 2.170582 5.318038 2.785439 5.953538 7.580688 5.505210 5.956419 6.739836 4.186032 4.916513 4.498652 4.720188 3.880536 7.207707 6.479648 6.718918 6.356043 6.114969 0.000000 2.085797 5.106293 2.456310 7.035030 4.974906 5.724789 6.902793 3.984290 4.776872 5.664400 2.546150 5.883810 6.181010 5.075938 1.090444 2.171971 5.000888 3.491733 4.909302 6.847688 4.970499 5.024118 5.773696 4.731573 5.094830 4.127644 4.997231 4.438445 6.502641 6.210649 6.742970 6.841284 6.297735 1.779579 0.000000 3.383568 5.589969 4.064217 8.613999 6.427072 7.757581 9.205859 5.546106 5.939253 6.609199 4.117702 7.577475 7.464011 5.573470 2.112345 1.095992 4.929746 2.166343 7.130229 8.982585 4.460478 4.923736 8.128955 2.817919 2.918136 6.034963 5.721541 5.588296 7.483261 7.016933 7.998654 7.908605 7.862609 2.488976 2.451039 0.000000 2.756493 3.840565 2.835959 7.124586 5.001551 6.582418 8.297899 4.393773 4.928311 5.004019 3.015329 6.187165 6.434982 3.869969 2.145375 1.092842 3.314616 2.169063 6.139895 7.892643 2.829065 3.217248 7.311068 2.855631 2.971654 5.081893 4.600908 4.886910 5.818176 5.493610 6.780300 6.983704 6.941422 3.064199 2.484003 1.760107 0.000000 3.832292 3.273343 4.214564 5.744205 3.912485 6.249070 8.343421 3.799545 3.468294 3.023945 3.707156 5.208282 4.529749 2.176901 4.608862 4.119601 1.078658 3.584383 6.616635 7.435093 2.259003 3.280522 7.901347 3.941691 4.622003 4.875332 2.477514 3.974921 3.873619 2.818497 4.534308 4.791882 5.483236 5.282566 5.323873 5.129172 3.731332 0.000000 2.657943 4.776741 4.082497 7.312741 5.077177 6.989316 8.751708 4.201948 3.876801 4.895753 3.441340 6.415116 5.302686 4.043803 2.795753 2.158688 3.054036 1.097246 6.912217 8.165135 3.385533 4.426023 8.050512 2.119916 3.228669 5.003993 3.269467 3.645638 5.912285 4.865570 5.810825 5.486789 5.999371 3.135014 3.794730 3.069206 2.508828 2.649707 0.000000 3.248985 6.259399 4.983089 8.726511 6.441437 8.054542 9.560395 5.341459 5.039524 6.493087 4.394151 7.718126 6.450233 5.674711 2.733161 2.160068 4.746563 1.099040 7.756737 9.167103 4.840602 5.791153 8.747849 2.120814 3.238970 5.910387 4.664826 4.473738 7.525585 6.498623 7.138265 6.560167 6.977869 2.526917 3.744820 2.534849 3.070756 4.387907 1.742811 0.000000 3.913660 4.464186 2.410707 3.905129 2.969375 2.162330 3.321833 2.953048 4.456396 4.244770 2.831990 2.872849 5.124080 4.592133 4.574788 5.557198 5.528935 6.584346 1.076703 3.245590 5.959250 5.350507 2.240148 7.789887 8.157097 2.556271 5.098568 4.790189 4.571487 5.065727 5.213995 6.175985 4.889345 5.276452 4.040114 6.207344 5.210055 6.107895 6.254606 7.064567 0.000000 6.630476 6.718657 5.936027 2.766264 3.923217 2.145675 2.139632 4.463257 5.123684 5.006827 5.669902 2.746369 4.445668 6.309133 7.854667 8.862753 7.436946 9.376830 3.249049 1.078582 8.436792 8.008483 3.205221 10.596347 11.252348 3.881448 5.932760 5.742578 4.911608 5.256867 4.080651 5.340722 3.822919 8.332859 7.713042 9.750946 8.590445 7.685589 8.649127 9.745466 4.223185 0.000000 4.795873 3.276444 4.564865 7.313473 5.540957 7.658618 9.731220 5.508579 5.729828 4.742727 4.693121 6.759055 7.006649 3.289287 4.789762 3.630413 2.257705 3.492648 7.649649 8.999256 1.078368 2.179424 8.980756 3.101066 2.898760 6.506803 4.942416 6.067503 5.320062 5.046373 7.014928 7.412367 7.824569 5.628661 5.260749 4.219128 2.857377 2.743943 3.324965 4.571956 6.833766 9.454509 0.000000 5.407977 2.079030 3.957726 6.337135 5.087456 6.711145 8.698487 5.533212 6.386713 4.487325 4.704959 5.925336 7.534665 3.198758 5.434375 4.721317 3.303901 5.373535 6.566387 8.059377 2.242463 1.078166 7.870044 5.422027 5.001412 6.359014 5.922697 6.932467 4.638643 5.282115 7.331425 8.256446 8.146776 6.497240 5.375045 5.199029 3.631466 4.335568 5.247169 6.444346 5.693853 8.605761 2.745628 0.000000 5.955640 7.187030 5.015319 5.422821 5.217692 3.246535 2.158269 5.050806 6.279725 6.643004 5.208103 4.624470 6.522474 7.252290 6.513276 7.777314 8.195302 8.825769 2.196679 3.174299 8.699312 8.099912 1.079210 10.162155 10.601377 4.163501 7.182711 6.395038 6.862779 7.306497 6.712959 7.503534 5.844599 6.885003 5.864492 8.283080 7.646712 8.657414 8.554313 9.077220 2.757862 4.193178 9.546961 8.378201 0.000000 5.056033 6.381974 6.264514 9.544200 7.394335 9.420161 11.229696 6.665191 6.249290 6.932312 5.842057 8.749067 7.566383 5.838931 4.728518 3.534260 4.558262 2.193026 9.321813 10.628699 4.351290 5.587893 10.483048 1.089505 2.084803 7.499127 5.482422 6.004997 7.842399 6.830634 8.013984 7.565358 8.350434 4.876626 5.643617 3.827718 3.862290 4.107933 2.497548 2.489592 8.583873 11.089578 3.647881 6.205586 10.938851 0.000000 6.238653 6.473067 6.754207 10.370439 8.339414 10.313711 12.180700 7.851290 7.834297 7.786998 6.761599 9.635247 9.239841 6.419816 5.580362 4.077438 5.234854 3.516335 10.060742 11.631278 4.348036 5.303638 11.275794 2.108237 1.085630 8.709863 7.087475 7.742717 8.520512 7.949346 9.540820 9.433477 10.005147 5.970499 6.171938 3.948400 4.004970 5.235517 4.116267 4.124861 9.161838 12.187592 3.335450 5.520780 11.648262 2.410156 0.000000 5.034977 5.452893 5.270413 9.321079 7.269083 9.012926 10.772993 6.752329 7.037708 6.953588 5.466333 8.495855 8.526871 5.596332 4.188667 2.692995 4.655250 2.838094 8.593089 10.341802 3.674169 4.327600 9.766169 2.125013 1.085360 7.512317 6.476354 6.943469 7.688278 7.321248 8.849347 8.903363 9.161077 4.734538 4.574486 2.431683 2.483280 4.918845 3.592390 3.610606 7.632398 11.003477 2.918823 4.442086 10.054830 3.073035 1.845164 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3991135 0.1419416 0.1295547 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= 1.21D-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= 705 705 705 705 705 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.28984308563 -1165.28984308588 -0.000000000251 -1165.28984309 2 1.160432754513e+03 -7.401710804513e+03 2.733203546010e+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. 14879 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= 790000000 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= 2.36D+02 4.14D+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= 4.18D+01 9.47D-01. 144 vectors produced by pass 2 Test12= 5.48D-14 1.00D-09 XBig12= 3.68D-01 6.27D-02. 144 vectors produced by pass 3 Test12= 5.48D-14 1.00D-09 XBig12= 1.97D-03 3.33D-03. 144 vectors produced by pass 4 Test12= 5.48D-14 1.00D-09 XBig12= 4.56D-06 1.45D-04. 122 vectors produced by pass 5 Test12= 5.48D-14 1.00D-09 XBig12= 8.13D-09 5.83D-06. 37 vectors produced by pass 6 Test12= 5.48D-14 1.00D-09 XBig12= 1.13D-11 3.77D-07. 3 vectors produced by pass 7 Test12= 5.48D-14 1.00D-09 XBig12= 1.66D-14 1.62D-08. InvSVY: IOpt=1 It= 1 EMax= 1.24D-14 Solved reduced A of dimension 882 with 147 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 322.04 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 372.322 -8.257 290.647 12.577 4.975 303.141 384.708 -2.162 318.215 11.833 0.581 348.667 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT183716.100S Wed Jan 12 06:50:23 2022 -3.50504833e+00 -1.05428645e+00 1.67239185e+00 3.72321880e+02 -8.25674852e+00 2.90647388e+02 1.25766141e+01 4.97519991e+00 3.03140517e+02 -16.4768 -4.9490 -0.0008 -0.0003 0.0009 4.5703 22.1842 34.5560 35.3240 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 22.0380 34.5159 34.8531 45.2056 53.4239 60.8937 63.1076 73.3241 87.7650 91.9231 113.8814 118.7109 130.9240 152.8613 170.3192 181.2515 199.2421 214.5273 223.0827 241.6362 257.2480 264.0733 291.5707 331.3336 354.1164 375.7515 385.0279 405.7823 446.4370 463.0122 512.0370 561.9048 564.1660 578.6876 610.8396 619.0705 638.9183 662.6116 670.2753 709.2020 751.2992 760.3441 768.4144 777.4902 777.6512 791.5582 833.9619 840.7708 842.4778 869.0901 873.3363 877.8794 890.0260 894.9380 903.0888 919.5719 922.1435 935.2934 940.8955 956.5254 974.3146 979.3539 1013.9757 1023.3032 1034.6076 1036.3627 1050.8865 1054.2666 1089.3500 1093.9895 1099.4227 1101.1770 1122.7813 1139.0421 1143.2837 1158.0385 1177.9398 1206.2888 1228.1178 1232.6418 1238.6902 1246.0873 1277.6102 1288.6629 1293.7618 1297.6048 1312.7501 1317.8961 1319.7471 1327.8579 1346.1374 1357.6517 1372.3074 1382.6594 1400.1775 1407.4534 1412.8713 1416.9093 1417.6719 1437.9886 1447.3115 1459.5051 1476.8268 1479.7060 1490.3648 1490.6481 1491.3458 1504.8245 1513.5000 1527.7460 1551.0794 1633.1783 1684.7001 1691.1684 1739.9691 2994.9998 3023.3137 3023.6809 3033.9926 3065.9643 3072.9819 3079.5637 3081.0295 3083.6202 3086.7786 3094.3102 3113.8417 3113.9185 3129.0073 3129.5235 3139.4440 3205.3226 3242.6680 3242.8926 3252.5943 3259.0885 3270.5385 3281.2321 4.5248 6.1474 5.8854 5.8195 4.4350 4.3709 2.9647 5.4249 3.8841 4.1675 3.2421 5.1514 4.2185 3.2416 2.3497 2.3145 3.6303 1.8806 4.2989 3.6157 5.0763 2.0042 5.3966 4.5609 5.3041 2.7516 2.1242 4.7681 4.7848 3.9875 3.4443 1.2064 4.5463 2.6073 2.8982 4.5279 4.3769 4.0529 3.6094 3.5885 1.4047 3.8443 3.1725 1.7500 1.3757 1.9141 1.4323 1.7339 1.7046 2.3492 3.2206 2.5672 1.3866 1.4080 5.7754 6.4784 3.1467 1.6781 1.7512 2.1331 2.9494 2.4760 2.0516 1.3707 2.8560 1.1123 1.8406 2.2919 2.6640 1.8788 2.2631 2.0458 1.6042 2.1219 2.3291 1.7151 3.1924 2.5199 1.3656 3.2208 2.6479 1.9730 1.5154 1.5967 1.4068 1.5471 2.2338 1.6695 1.1286 1.2543 1.2407 1.8570 1.4956 1.4123 2.5195 2.4883 1.5426 1.2666 1.4014 2.1698 1.1891 1.0874 1.0750 1.0906 1.0535 1.0380 1.0981 3.4549 1.0862 4.5476 4.5128 6.4294 11.5528 4.3874 11.7498 1.0670 1.0369 1.0861 1.0699 1.0663 1.0643 1.0942 1.0650 1.0865 1.0922 1.0984 1.0828 1.0971 1.0745 1.1072 1.1001 1.1153 1.0952 1.0920 1.0981 1.0992 1.1079 1.1049 0.0013 0.0043 0.0042 0.0070 0.0075 0.0095 0.0070 0.0172 0.0176 0.0207 0.0248 0.0428 0.0426 0.0446 0.0402 0.0448 0.0849 0.0510 0.1260 0.1244 0.1979 0.0823 0.2703 0.2950 0.3919 0.2289 0.1855 0.4626 0.5619 0.5037 0.5320 0.2244 0.8526 0.5144 0.6371 1.0224 1.0527 1.0484 0.9554 1.0634 0.4671 1.3094 1.1037 0.6233 0.4902 0.7066 0.5869 0.7222 0.7128 1.0455 1.4473 1.1657 0.6472 0.6644 2.7752 3.2277 1.5765 0.8649 0.9134 1.1499 1.6496 1.3992 1.2428 0.8457 1.8012 0.7039 1.1977 1.5009 1.8626 1.3248 1.6117 1.4616 1.1915 1.6220 1.7937 1.3552 2.6098 2.1604 1.2135 2.8833 2.3937 1.8050 1.4574 1.5623 1.3874 1.5348 2.2681 1.7085 1.1582 1.3030 1.3246 2.0167 1.6595 1.5908 2.9103 2.9041 1.8143 1.4982 1.6595 2.6435 1.4676 1.3648 1.3814 1.4069 1.3787 1.3589 1.4390 4.6096 1.4659 6.2537 6.3968 10.1038 19.3189 7.3932 20.9587 5.6393 5.5841 5.8504 5.8026 5.9054 5.9213 6.1140 5.9562 6.0871 6.1316 6.1965 6.1856 6.2679 6.1981 6.3893 6.3883 6.7515 6.7850 6.7659 6.8444 6.8786 6.9820 7.0088 0.8790 0.2838 0.3751 2.7395 0.3920 1.8756 0.6594 1.8491 2.5195 1.3042 3.2039 2.2511 1.3844 0.8935 0.9840 0.9940 9.1130 1.3149 5.9891 2.1631 5.4504 3.7660 2.1324 8.5710 19.3036 7.5008 13.1336 22.2022 2.8215 2.4289 12.3880 24.3313 20.9357 4.5956 13.5491 13.7338 0.1343 9.8160 41.0022 70.7707 101.7971 27.3942 4.0272 80.4896 27.9260 52.3476 33.3533 62.8845 2.6753 9.9126 44.9356 3.4946 1.1514 0.0784 3.5938 8.3619 15.3516 13.0246 132.1237 6.9105 29.8611 49.6838 32.7119 82.3756 67.3858 22.9800 38.6958 3.4288 6.2489 40.2532 115.8046 32.7436 23.2436 32.2010 18.3856 64.6489 251.0753 12.6391 13.7783 161.2022 300.6689 21.4355 141.4958 48.9807 40.9843 177.6210 31.5940 30.5601 19.1501 3.6294 2.0571 171.1721 11.6867 71.7468 134.6611 17.1832 3.2952 19.2036 18.3686 400.2320 1.0672 17.8364 26.0881 16.5529 19.2318 10.1329 11.7159 70.6669 12.1211 32.0940 6.9272 0.7195 1062.9966 35.3175 498.9572 34.8144 30.9986 6.5643 42.0585 21.1672 21.7710 16.4296 16.2274 13.9641 44.2728 48.7503 32.6811 40.2853 9.3063 18.9194 2.6962 21.1990 7.2657 2.9941 1.6895 7.2238 0.9460 30.2977 0.02 -0.05 -0.11 0.04 0.03 -0.06 0.01 0.03 -0.06 -0.01 -0.01 0.07 -0.02 -0.01 -0.01 0.00 0.00 0.04 0.00 -0.00 0.07 -0.03 -0.01 -0.04 -0.08 -0.02 -0.05 -0.02 -0.01 -0.02 0.00 -0.01 -0.07 -0.01 -0.00 0.03 -0.12 -0.01 -0.01 -0.01 0.00 -0.06 -0.00 0.00 -0.12 -0.02 0.01 0.01 -0.02 0.00 -0.10 0.07 -0.09 0.08 0.02 0.01 0.02 -0.01 -0.01 0.07 0.01 0.03 -0.13 0.05 0.05 -0.10 0.02 0.01 0.04 0.08 -0.04 0.22 0.03 0.08 0.29 -0.02 -0.01 -0.01 -0.09 -0.02 -0.08 -0.08 -0.02 -0.07 -0.01 -0.00 0.01 -0.06 -0.02 -0.02 -0.12 -0.01 0.01 -0.16 -0.02 -0.02 -0.11 -0.01 0.03 0.03 -0.05 -0.19 -0.05 0.09 -0.16 -0.05 0.06 0.01 -0.05 0.05 0.07 -0.06 -0.02 -0.11 0.12 -0.16 0.10 0.08 -0.14 0.01 0.04 0.02 -0.01 -0.02 -0.02 0.09 0.01 0.04 -0.16 0.08 0.07 -0.10 0.04 0.02 0.03 0.14 -0.12 0.27 0.05 0.10 0.39 -0.03 0.16 0.25 0.01 0.05 -0.09 -0.11 0.04 0.03 0.01 0.07 -0.07 0.02 0.03 -0.17 0.02 0.03 -0.08 0.03 -0.01 -0.00 -0.01 -0.12 0.26 0.01 0.04 -0.07 0.04 0.03 -0.07 0.04 0.04 -0.08 0.01 0.06 -0.08 0.02 0.02 -0.10 0.08 -0.03 -0.09 -0.01 0.03 0.02 0.02 0.05 -0.10 -0.01 0.02 -0.05 0.03 0.02 0.11 0.00 -0.05 -0.03 0.06 -0.06 0.04 -0.02 -0.05 0.14 -0.06 0.02 0.18 -0.14 0.04 0.13 0.04 -0.13 0.20 -0.03 -0.10 0.02 -0.06 -0.08 0.04 0.00 0.03 -0.09 0.07 0.06 -0.03 0.01 0.04 -0.08 0.01 0.03 -0.14 0.11 0.08 -0.08 0.12 -0.04 -0.09 0.10 -0.02 -0.08 0.05 -0.06 -0.12 0.05 0.03 -0.13 0.01 0.10 -0.11 0.00 0.03 -0.06 -0.04 0.05 -0.02 0.11 0.01 0.13 -0.01 -0.04 -0.02 0.05 -0.07 -0.06 0.10 -0.05 -0.04 -0.06 -0.02 0.14 -0.05 0.02 0.26 -0.22 0.04 0.14 0.06 -0.18 0.27 -0.03 -0.16 0.03 -0.08 -0.12 0.07 -0.06 -0.02 0.03 -0.10 0.08 -0.00 -0.04 -0.12 -0.04 0.03 -0.11 -0.06 -0.02 0.01 0.10 0.00 -0.04 -0.05 0.07 0.04 0.04 0.15 0.13 0.04 0.02 -0.05 -0.07 0.08 -0.09 -0.05 -0.02 -0.06 -0.04 -0.02 -0.03 -0.05 0.02 -0.00 0.03 0.12 -0.13 -0.09 -0.03 -0.08 -0.03 -0.12 0.07 0.03 -0.12 0.08 0.04 -0.02 -0.05 -0.01 -0.09 0.13 0.04 0.13 0.02 0.03 0.09 0.10 0.04 -0.04 -0.06 -0.00 -0.05 -0.10 -0.02 0.17 0.08 0.04 -0.09 0.13 0.04 -0.12 0.08 0.05 0.01 -0.05 -0.12 0.09 -0.09 0.00 0.08 -0.10 -0.06 -0.04 -0.05 -0.05 -0.02 -0.06 -0.04 0.12 -0.13 -0.08 0.17 -0.17 -0.08 0.11 -0.13 -0.16 -0.13 0.09 0.06 -0.15 0.04 0.03 -0.13 0.07 0.07 -0.11 0.06 0.00 -0.01 -0.02 -0.00 -0.07 0.15 0.00 -0.08 0.15 0.07 0.13 -0.03 0.02 0.05 0.13 0.05 -0.04 -0.04 0.01 -0.06 -0.13 -0.02 0.22 0.08 0.03 -0.06 0.18 0.05 -0.12 0.08 0.05 -0.15 0.03 0.04 -0.02 0.07 -0.01 -0.02 -0.02 -0.05 -0.02 0.04 -0.03 0.15 -0.07 0.31 0.04 0.03 -0.05 0.04 -0.02 0.05 -0.04 -0.10 -0.06 -0.01 0.06 -0.04 -0.02 0.10 -0.04 0.07 0.06 -0.10 -0.02 0.06 -0.03 0.09 -0.02 0.12 -0.01 0.12 -0.05 0.04 0.04 -0.04 -0.01 0.04 0.00 -0.04 -0.01 0.01 0.07 0.03 0.01 -0.02 -0.00 0.01 -0.01 0.09 -0.05 0.02 -0.13 0.04 0.02 -0.05 0.05 -0.03 -0.08 0.01 -0.05 0.04 -0.11 -0.07 -0.09 0.02 -0.14 -0.21 0.02 -0.04 0.03 -0.02 -0.01 0.12 -0.06 -0.03 0.12 -0.01 0.07 0.03 -0.18 0.11 0.14 -0.10 -0.01 0.11 -0.07 -0.02 0.14 -0.04 -0.02 0.11 -0.03 0.03 0.03 0.01 -0.01 0.05 -0.00 -0.03 -0.06 0.04 -0.09 -0.02 -0.02 0.11 0.07 0.03 -0.04 0.07 -0.03 0.05 0.01 0.05 -0.00 0.19 -0.06 0.04 -0.23 0.10 0.03 -0.08 0.09 -0.07 -0.13 0.01 -0.09 0.10 -0.19 -0.05 -0.06 0.02 -0.18 -0.27 0.02 -0.17 -0.25 0.01 0.02 -0.06 -0.03 -0.11 -0.11 -0.01 0.03 -0.06 -0.02 0.02 -0.05 0.06 -0.00 -0.04 -0.04 0.03 -0.04 0.02 0.08 0.05 -0.07 -0.01 -0.02 -0.00 -0.09 0.05 -0.02 0.01 -0.02 -0.08 0.02 -0.06 -0.02 0.02 -0.05 0.02 -0.15 0.16 0.02 -0.02 -0.03 -0.00 0.01 -0.03 -0.04 0.03 0.01 -0.03 -0.00 0.10 0.10 0.02 -0.02 -0.03 0.03 -0.06 0.04 0.06 0.03 -0.05 -0.08 0.09 0.16 -0.14 -0.04 0.09 0.06 -0.00 -0.02 0.05 0.03 -0.02 0.11 0.16 -0.01 -0.00 -0.02 0.07 -0.12 0.02 -0.10 -0.05 0.05 0.02 -0.00 -0.04 -0.15 0.06 0.04 -0.08 -0.19 0.17 -0.01 -0.21 0.21 0.01 -0.11 0.20 0.11 -0.02 -0.03 -0.05 0.01 -0.04 -0.04 0.03 0.06 -0.06 0.07 0.03 0.01 0.05 0.19 0.13 0.03 -0.07 0.01 -0.02 -0.04 -0.07 0.01 -0.11 0.08 0.07 0.06 -0.08 -0.08 0.17 0.24 -0.20 -0.10 0.09 0.07 0.00 -0.03 0.02 -0.03 -0.02 0.13 0.19 -0.01 0.15 0.24 -0.01 0.07 -0.08 -0.01 -0.06 -0.06 -0.01 -0.03 -0.02 -0.01 -0.02 0.03 0.08 -0.03 0.01 -0.03 -0.03 0.04 -0.00 -0.11 -0.09 0.10 0.01 -0.01 -0.03 0.04 -0.03 -0.02 -0.05 -0.00 -0.02 0.01 -0.04 -0.02 -0.02 0.03 0.02 0.07 -0.04 -0.05 -0.05 -0.02 -0.01 0.04 -0.07 0.02 0.07 -0.03 -0.00 -0.05 0.02 0.01 0.15 0.14 -0.00 -0.01 0.12 -0.09 -0.09 -0.08 0.12 -0.06 -0.00 0.01 -0.07 -0.05 -0.00 -0.06 0.04 -0.03 0.18 0.18 -0.01 0.10 0.03 -0.02 0.03 0.02 -0.05 0.05 -0.03 0.01 0.05 -0.03 -0.03 -0.06 0.01 -0.02 -0.05 -0.01 -0.02 0.06 -0.04 -0.05 0.10 -0.06 -0.04 0.06 -0.04 -0.09 0.00 -0.04 0.06 0.03 -0.13 0.03 0.01 -0.06 0.09 0.09 -0.09 -0.10 -0.05 0.05 0.02 0.21 0.18 -0.11 0.15 0.21 0.11 0.03 0.22 -0.17 -0.11 -0.17 0.21 -0.06 0.01 0.03 -0.07 -0.08 -0.00 -0.07 0.07 -0.06 0.26 0.35 -0.01 0.12 0.07 -0.02 0.02 -0.14 -0.02 -0.01 0.02 0.04 -0.02 0.02 -0.02 -0.03 -0.02 0.01 0.01 0.01 0.07 -0.00 0.01 -0.03 0.00 0.02 -0.00 -0.04 -0.04 0.04 0.01 0.01 -0.02 0.07 0.01 -0.00 -0.01 0.01 -0.03 -0.01 0.01 0.02 0.01 0.02 0.02 0.11 0.01 -0.05 -0.01 -0.00 -0.02 0.01 -0.02 0.06 -0.01 -0.04 0.04 -0.00 -0.03 -0.02 -0.11 -0.17 0.01 0.00 0.06 -0.04 -0.02 -0.04 0.05 -0.01 -0.02 -0.02 -0.02 0.01 -0.02 -0.02 0.02 -0.02 -0.06 -0.08 -0.02 0.13 0.21 -0.04 0.01 0.01 -0.05 0.08 0.02 0.03 0.08 0.01 0.01 -0.01 0.01 -0.04 0.00 0.02 -0.03 0.10 0.01 -0.06 0.17 -0.00 -0.04 0.11 0.01 -0.10 0.02 -0.01 0.07 0.01 -0.02 0.06 0.05 -0.01 -0.06 0.02 0.00 0.12 0.00 -0.05 -0.03 -0.13 -0.27 0.15 -0.21 -0.23 -0.11 0.02 0.11 -0.07 -0.03 -0.08 0.09 -0.01 -0.03 -0.01 -0.02 0.03 -0.01 -0.03 0.04 -0.04 -0.20 -0.27 -0.05 0.16 0.25 -0.07 0.27 0.41 -0.01 0.01 -0.09 0.04 -0.04 0.24 -0.01 -0.14 -0.02 0.01 0.01 -0.06 0.12 -0.03 -0.04 -0.08 0.02 -0.03 0.03 0.08 0.05 -0.01 -0.03 -0.03 -0.04 0.03 -0.00 -0.03 -0.01 -0.03 -0.07 -0.06 -0.05 0.00 0.00 -0.05 0.03 0.07 0.02 -0.09 -0.02 0.03 -0.05 -0.01 -0.11 0.08 0.00 -0.09 0.05 -0.01 -0.03 -0.05 0.02 0.01 0.03 0.03 -0.08 0.07 0.05 0.05 -0.03 -0.03 0.14 -0.02 -0.05 0.31 0.00 0.07 -0.03 0.05 0.04 0.02 -0.02 0.01 -0.10 -0.05 -0.04 -0.04 -0.05 0.04 0.01 -0.01 0.03 0.01 0.01 0.01 -0.04 -0.06 0.02 -0.04 -0.06 0.05 0.02 -0.12 0.12 0.03 -0.07 0.07 0.02 -0.12 -0.03 -0.08 0.13 -0.02 -0.17 0.09 -0.01 -0.12 0.09 0.01 -0.13 -0.01 0.01 -0.18 -0.08 0.04 0.03 -0.02 0.00 0.05 0.09 0.01 -0.15 0.11 0.05 0.10 -0.07 -0.03 0.15 -0.01 -0.07 0.48 0.03 0.08 -0.05 0.07 0.06 0.15 -0.03 0.02 -0.07 -0.08 -0.02 -0.22 -0.04 -0.01 0.01 0.02 0.01 0.05 0.03 0.13 -0.14 -0.02 -0.03 0.01 -0.08 0.01 -0.04 0.01 0.01 -0.01 -0.02 -0.01 -0.05 0.06 0.05 -0.06 0.00 0.02 -0.06 -0.01 -0.02 -0.07 0.04 0.07 -0.08 -0.01 -0.00 -0.01 -0.03 -0.08 0.18 0.02 -0.01 -0.05 0.02 -0.03 0.02 0.04 -0.01 0.05 0.03 -0.02 -0.04 -0.01 -0.05 0.02 0.02 0.07 0.09 -0.14 -0.04 -0.09 0.10 -0.01 0.08 -0.00 0.01 0.14 0.02 0.06 0.06 -0.10 -0.06 -0.02 0.00 -0.07 -0.05 -0.01 0.08 -0.03 0.01 -0.10 -0.19 -0.06 0.17 -0.10 0.02 -0.02 -0.04 0.10 -0.05 -0.13 0.05 -0.26 0.25 0.02 -0.10 0.13 0.01 0.06 0.34 0.05 -0.04 0.03 0.05 -0.04 0.00 0.04 -0.00 0.07 -0.00 0.01 0.06 0.06 -0.03 -0.10 -0.02 -0.07 0.03 0.05 -0.04 0.01 0.01 0.11 0.16 -0.22 -0.09 -0.17 0.21 -0.01 0.12 -0.02 0.02 0.23 0.03 0.10 0.11 -0.16 -0.08 -0.03 -0.00 -0.08 -0.08 -0.02 -0.05 -0.04 0.00 0.01 -0.03 0.02 0.04 -0.13 -0.05 -0.00 -0.04 0.02 -0.02 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 0.02 -0.02 0.01 -0.01 -0.00 0.00 0.00 -0.03 0.02 -0.01 0.00 0.00 0.06 -0.14 0.00 0.00 0.04 -0.02 0.00 -0.02 0.02 0.01 -0.00 0.02 -0.03 0.31 0.00 -0.02 -0.05 0.02 0.01 0.03 -0.02 -0.02 -0.00 0.02 -0.01 0.30 -0.01 0.03 0.02 -0.05 0.01 0.03 -0.02 -0.04 -0.10 0.00 -0.03 -0.10 -0.01 0.01 -0.00 -0.01 0.07 0.04 0.03 -0.06 -0.00 -0.01 0.02 -0.01 0.02 -0.03 -0.00 -0.00 0.15 -0.18 0.00 0.07 -0.12 0.01 -0.01 -0.22 -0.01 -0.01 -0.02 0.02 0.00 -0.02 0.02 0.03 0.02 -0.01 0.03 0.02 0.06 -0.07 0.50 0.03 -0.05 -0.03 0.04 0.01 -0.07 0.00 0.02 0.03 -0.04 -0.03 -0.02 0.05 -0.03 0.47 -0.00 0.06 -0.10 -0.07 0.03 0.04 -0.04 -0.09 -0.15 -0.01 -0.05 -0.15 -0.02 0.01 -0.05 -0.00 0.00 -0.01 -0.03 0.06 -0.06 0.05 -0.02 -0.02 -0.04 -0.01 0.03 0.11 -0.01 -0.00 -0.02 0.01 0.08 -0.08 -0.05 -0.02 0.03 0.02 -0.03 -0.06 0.07 -0.07 -0.05 -0.01 -0.04 0.10 -0.00 -0.02 -0.04 -0.00 0.03 0.00 0.04 0.17 -0.11 0.00 -0.01 0.06 -0.01 -0.01 -0.02 -0.01 0.00 -0.01 -0.02 0.05 0.03 -0.01 -0.01 -0.01 -0.06 -0.03 0.05 0.01 0.07 -0.09 0.03 0.04 -0.01 0.08 -0.04 0.01 -0.10 -0.09 0.12 -0.01 -0.01 -0.00 -0.02 -0.01 0.00 0.03 -0.02 -0.10 -0.05 -0.23 -0.03 0.26 -0.14 -0.02 -0.02 0.01 0.19 -0.04 -0.15 0.11 -0.22 0.27 -0.07 0.11 0.04 -0.09 0.20 0.38 -0.19 -0.01 -0.00 -0.01 -0.02 -0.01 -0.02 -0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.07 0.10 0.03 -0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.07 -0.05 0.07 0.05 0.13 -0.17 0.02 0.07 -0.05 0.12 -0.08 -0.01 -0.15 -0.17 0.23 -0.00 -0.01 0.00 -0.02 -0.01 0.01 -0.02 -0.01 0.00 0.03 0.02 0.01 -0.09 0.03 -0.06 0.23 -0.13 0.01 0.01 0.03 0.11 0.01 0.00 0.02 0.01 0.05 -0.03 -0.08 -0.05 -0.05 0.06 -0.00 0.06 0.04 0.02 0.06 -0.05 -0.02 -0.07 0.12 -0.05 0.03 0.02 0.03 0.04 0.07 -0.09 0.07 -0.05 -0.07 -0.08 0.03 0.08 -0.04 0.07 0.14 -0.03 -0.04 -0.08 -0.06 0.03 0.04 -0.02 -0.11 -0.01 0.08 0.02 0.02 -0.11 -0.08 0.04 -0.02 -0.11 0.11 -0.03 -0.16 -0.08 0.07 -0.02 -0.05 0.01 -0.03 -0.01 0.02 0.09 0.02 0.10 0.09 0.08 0.06 -0.04 0.04 0.04 -0.08 -0.02 -0.12 -0.06 0.05 -0.08 0.17 -0.13 0.05 0.05 -0.04 0.07 -0.01 -0.18 0.09 -0.01 0.07 -0.08 0.05 0.10 -0.04 0.08 0.21 -0.10 0.12 0.18 0.05 -0.02 -0.15 -0.07 -0.01 0.05 0.02 0.09 0.00 -0.07 -0.13 -0.00 0.14 0.10 0.06 -0.20 -0.08 0.07 0.01 -0.14 0.20 -0.01 -0.25 -0.14 0.14 -0.05 -0.15 0.01 -0.07 -0.09 0.05 0.00 0.09 0.02 0.05 -0.11 0.01 -0.03 -0.05 -0.04 -0.12 0.17 0.12 -0.02 -0.04 -0.02 -0.01 -0.05 0.03 -0.01 -0.06 0.06 0.04 0.01 -0.02 0.01 -0.04 0.06 0.10 -0.02 0.08 -0.04 -0.05 -0.02 -0.03 0.01 0.08 -0.02 -0.05 0.02 0.13 0.12 -0.02 -0.03 -0.05 -0.04 0.00 0.06 -0.10 0.07 0.18 -0.06 -0.04 -0.02 -0.04 0.04 0.06 -0.05 0.02 -0.02 0.00 -0.00 -0.04 0.04 -0.04 -0.00 -0.04 -0.03 -0.02 -0.04 0.05 0.02 -0.04 -0.03 -0.06 -0.00 -0.05 -0.00 0.03 0.00 -0.05 0.02 0.05 -0.08 0.10 0.19 -0.04 0.14 -0.04 -0.05 -0.01 -0.07 -0.04 -0.02 -0.02 0.18 -0.04 0.23 0.07 0.01 0.22 0.24 -0.10 -0.10 0.02 -0.19 0.02 0.12 -0.10 0.06 0.29 -0.16 0.15 0.23 0.05 -0.05 -0.02 -0.04 -0.02 0.08 -0.01 0.12 0.02 -0.10 0.02 -0.03 0.01 -0.02 -0.06 0.07 -0.04 0.02 -0.04 -0.02 -0.02 -0.04 0.08 0.06 -0.09 -0.08 -0.22 0.01 -0.11 -0.11 0.07 -0.01 0.16 0.02 -0.11 0.10 0.00 -0.00 -0.01 0.00 0.11 -0.05 0.01 -0.01 -0.03 -0.02 -0.02 -0.00 0.04 -0.04 -0.06 0.07 0.01 0.02 -0.04 -0.03 0.01 0.05 0.05 0.04 0.07 -0.02 0.01 0.02 -0.01 0.02 0.03 -0.03 -0.03 0.03 0.14 0.07 -0.04 -0.02 0.00 0.01 0.02 -0.00 -0.08 -0.05 -0.12 -0.12 -0.02 0.03 0.00 0.00 -0.11 -0.09 -0.02 -0.03 0.03 -0.02 -0.02 0.02 -0.02 0.04 -0.01 -0.00 0.02 -0.00 0.00 0.02 -0.03 0.10 0.08 0.01 -0.03 0.00 0.06 -0.04 0.00 0.03 0.06 0.04 0.12 0.08 0.04 0.12 -0.01 -0.00 0.01 -0.02 0.02 0.01 0.06 0.10 -0.06 0.25 0.04 -0.01 0.15 0.12 -0.14 0.09 -0.03 -0.11 0.10 0.07 -0.06 -0.03 -0.20 -0.07 -0.13 -0.13 -0.16 -0.04 0.04 0.00 0.10 -0.24 -0.08 -0.10 -0.13 -0.14 -0.03 -0.04 0.05 -0.02 -0.03 0.03 -0.02 0.06 -0.01 0.01 0.02 -0.01 0.02 0.05 -0.07 0.30 0.30 0.06 0.06 0.16 0.15 -0.23 -0.22 0.02 0.03 0.01 -0.00 -0.03 -0.05 -0.04 -0.04 0.12 0.03 0.02 0.03 -0.01 0.04 -0.01 0.02 0.05 0.03 -0.02 0.00 -0.04 0.00 0.05 -0.02 0.00 0.02 -0.06 -0.00 -0.01 -0.04 -0.03 0.01 0.04 0.01 0.04 0.02 0.00 -0.05 -0.02 0.06 -0.01 -0.06 -0.04 0.01 0.03 0.00 -0.01 0.01 0.05 -0.01 -0.02 -0.02 -0.09 -0.12 0.04 0.01 0.03 -0.00 0.04 -0.01 -0.02 -0.03 0.04 0.00 -0.04 0.02 -0.01 -0.02 -0.02 0.01 0.04 0.12 -0.00 -0.01 -0.06 -0.04 0.04 -0.02 -0.02 -0.03 -0.11 -0.02 0.06 -0.08 -0.04 -0.03 -0.02 -0.02 -0.04 -0.03 -0.03 -0.12 0.02 0.13 -0.10 -0.09 0.05 0.01 0.05 0.07 0.04 0.01 -0.03 -0.01 0.08 -0.02 0.04 0.06 -0.05 -0.01 0.08 0.16 0.01 -0.02 -0.02 -0.06 -0.33 0.22 -0.31 -0.19 -0.13 0.01 0.05 -0.00 0.06 -0.01 -0.03 -0.03 0.08 0.02 -0.06 0.04 -0.00 -0.05 -0.03 0.03 0.16 0.44 -0.01 0.09 0.12 -0.08 -0.14 -0.38 -0.03 -0.04 0.13 0.00 -0.03 -0.03 -0.04 0.00 0.09 -0.01 0.02 0.01 -0.03 0.03 -0.01 0.04 0.02 -0.01 0.03 0.01 -0.02 -0.03 0.02 -0.01 -0.00 0.02 -0.10 0.00 -0.03 -0.03 -0.01 -0.01 0.08 -0.01 0.02 -0.00 0.02 -0.04 -0.01 0.04 -0.02 -0.05 -0.04 0.03 0.01 0.03 -0.04 -0.11 0.01 -0.02 -0.01 -0.02 0.06 0.07 0.02 -0.00 -0.00 0.03 0.03 -0.03 -0.00 -0.04 0.05 -0.01 -0.04 0.03 -0.01 -0.01 -0.01 -0.01 -0.00 -0.07 0.00 0.07 0.02 -0.01 -0.00 -0.02 -0.05 -0.05 -0.19 0.02 0.12 -0.14 -0.05 -0.03 -0.01 0.02 -0.08 -0.04 -0.01 -0.25 0.10 0.21 -0.01 -0.27 0.04 0.11 0.19 -0.10 0.11 0.02 0.06 0.05 0.02 0.03 -0.07 -0.26 0.18 -0.16 -0.19 -0.16 -0.01 -0.01 -0.02 0.07 0.24 -0.17 0.21 0.16 0.20 -0.01 0.01 0.05 0.06 -0.04 -0.01 -0.04 0.10 0.01 -0.05 0.06 -0.01 -0.04 -0.00 -0.02 -0.10 -0.22 -0.01 0.02 -0.06 -0.03 0.17 0.18 0.01 0.05 0.02 -0.07 -0.01 0.02 0.02 0.09 -0.01 -0.09 0.01 -0.05 -0.04 -0.04 0.04 0.02 -0.07 -0.10 0.13 0.01 0.04 -0.06 -0.04 0.04 -0.03 -0.02 -0.01 -0.03 -0.03 0.04 0.03 0.03 0.02 -0.07 -0.03 -0.03 0.04 0.03 -0.01 -0.10 -0.03 0.05 0.03 -0.00 0.06 -0.01 0.02 0.10 0.14 -0.04 0.02 0.00 -0.01 -0.01 0.15 -0.06 -0.07 0.09 -0.03 -0.03 0.04 -0.02 -0.03 -0.02 -0.00 -0.03 -0.01 -0.01 0.02 -0.03 0.01 0.02 0.01 0.14 -0.09 -0.10 -0.03 0.05 -0.02 -0.03 -0.04 0.03 0.03 -0.03 -0.04 -0.02 0.04 0.05 -0.04 0.02 0.04 -0.14 0.09 0.03 0.18 -0.24 -0.07 0.12 0.14 -0.33 0.03 0.03 -0.04 -0.09 0.10 -0.06 0.01 0.20 0.06 0.05 0.16 0.24 -0.06 0.03 0.00 -0.05 -0.05 0.24 -0.08 -0.05 0.07 -0.07 -0.09 0.12 -0.03 -0.04 0.04 -0.01 -0.07 -0.04 0.02 -0.06 -0.02 0.01 0.07 -0.09 -0.08 0.11 -0.06 0.14 -0.08 -0.26 0.24 -0.19 -0.04 -0.02 0.05 -0.02 0.01 -0.05 0.05 0.02 0.07 -0.00 -0.00 -0.02 0.03 -0.00 -0.02 -0.01 -0.00 -0.01 -0.04 0.01 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.06 0.00 -0.03 -0.05 0.04 0.00 0.04 -0.01 -0.01 -0.02 -0.01 0.02 0.04 -0.02 -0.04 -0.08 0.05 0.00 0.04 -0.03 -0.03 -0.01 0.04 -0.07 -0.04 -0.00 0.01 0.01 0.05 0.02 -0.02 -0.04 -0.01 -0.00 -0.01 -0.03 0.03 -0.03 0.02 0.02 -0.00 0.03 -0.02 -0.00 0.01 -0.01 0.01 0.07 -0.03 -0.04 -0.01 -0.03 0.02 0.04 0.12 -0.03 -0.07 0.10 0.05 -0.07 -0.03 0.03 -0.00 -0.06 0.04 0.35 -0.15 -0.36 -0.08 0.52 -0.04 -0.18 -0.26 0.31 0.06 0.01 -0.07 -0.01 0.11 -0.05 -0.05 -0.05 0.09 -0.09 -0.02 0.01 -0.13 -0.05 -0.02 0.01 0.05 0.01 0.04 0.03 0.09 0.03 -0.04 -0.05 -0.03 0.01 -0.01 -0.04 0.09 -0.07 0.07 0.06 -0.01 0.05 -0.03 0.01 -0.04 0.00 -0.02 0.07 -0.04 -0.11 0.13 -0.04 -0.01 0.04 -0.08 -0.05 0.03 -0.05 0.01 -0.04 -0.01 -0.04 -0.04 0.12 -0.14 0.05 -0.01 0.02 0.08 0.01 0.22 -0.02 -0.04 -0.10 0.01 -0.02 -0.03 -0.01 0.02 -0.04 0.02 -0.04 -0.00 0.00 -0.04 -0.05 0.06 0.05 0.06 0.02 0.03 -0.08 0.02 -0.08 0.01 -0.03 -0.06 -0.00 -0.03 -0.04 0.00 0.02 -0.05 0.01 -0.03 0.02 -0.01 -0.06 0.11 0.19 0.11 -0.06 0.05 0.02 0.04 0.01 0.03 0.04 0.02 -0.13 0.07 -0.00 -0.04 0.01 -0.01 -0.06 0.03 0.01 -0.00 -0.04 0.01 0.02 0.06 -0.06 -0.04 0.05 0.01 -0.02 -0.03 -0.03 0.03 -0.02 -0.00 0.22 -0.09 -0.32 -0.02 0.36 -0.08 -0.11 -0.16 0.13 -0.03 -0.04 0.03 -0.07 -0.09 -0.01 -0.04 -0.07 0.03 -0.04 -0.07 -0.04 0.01 -0.06 0.00 -0.03 0.05 -0.04 -0.02 0.04 0.03 -0.10 0.22 0.27 0.24 -0.14 0.02 0.01 0.10 0.02 0.03 0.08 0.02 -0.25 0.12 -0.08 -0.04 -0.01 -0.00 -0.06 0.03 0.04 -0.07 0.06 -0.00 -0.01 0.15 0.11 0.00 -0.04 0.07 -0.10 -0.05 -0.05 0.05 -0.01 -0.02 0.01 0.03 -0.04 0.01 -0.04 0.04 0.02 -0.02 -0.03 -0.01 0.04 -0.07 -0.04 0.01 -0.08 -0.04 -0.01 0.04 -0.03 0.07 -0.02 0.02 0.00 -0.00 -0.06 -0.04 -0.05 -0.06 -0.06 0.06 0.07 0.03 0.15 0.16 0.10 -0.08 -0.09 -0.04 0.00 0.05 -0.04 -0.10 0.01 -0.03 0.03 0.02 -0.04 0.01 -0.04 0.02 -0.04 0.02 0.01 -0.00 0.01 -0.01 -0.02 0.07 -0.02 -0.00 -0.03 -0.01 0.06 -0.03 0.02 -0.08 -0.04 -0.00 -0.07 -0.04 0.00 -0.11 -0.10 0.03 0.05 -0.01 -0.06 0.05 -0.02 -0.05 -0.03 -0.09 -0.04 -0.06 -0.08 -0.06 -0.04 -0.05 0.14 0.31 0.16 -0.18 0.25 0.21 0.20 -0.23 0.31 0.14 0.05 -0.16 -0.05 -0.02 0.03 -0.14 0.03 0.01 -0.12 -0.24 -0.00 -0.03 0.04 0.03 -0.05 0.01 -0.04 0.06 -0.10 0.08 0.04 -0.01 0.01 0.00 -0.04 0.14 -0.05 0.04 -0.04 -0.02 0.15 -0.10 0.01 0.02 0.21 -0.07 -0.07 -0.05 0.03 0.04 0.10 0.12 -0.03 0.11 -0.06 0.02 0.00 0.07 0.02 -0.04 -0.06 0.01 0.03 0.00 -0.02 0.07 0.04 -0.01 0.05 -0.02 -0.01 -0.06 0.05 0.06 0.13 0.01 -0.06 0.01 -0.00 0.00 0.02 -0.00 0.03 -0.09 0.06 0.05 0.07 -0.08 0.09 0.01 -0.13 0.04 -0.12 0.06 -0.01 -0.10 0.02 -0.04 0.00 -0.08 -0.00 -0.02 -0.03 -0.01 -0.07 -0.01 -0.06 -0.02 -0.03 -0.03 0.04 -0.03 -0.02 -0.11 0.05 -0.04 -0.21 0.12 0.04 0.11 0.08 0.00 0.02 -0.06 -0.01 0.09 -0.04 -0.05 -0.07 0.07 0.09 -0.07 -0.00 0.06 0.08 -0.03 -0.03 -0.05 0.10 0.01 -0.01 -0.05 0.14 0.11 -0.02 0.21 -0.02 -0.20 0.07 0.06 -0.24 0.09 -0.03 -0.19 -0.07 -0.19 0.08 -0.02 -0.12 0.06 -0.05 -0.14 0.08 0.04 0.01 -0.12 -0.01 -0.04 -0.01 -0.01 -0.07 -0.05 -0.11 0.03 -0.07 -0.05 0.07 -0.02 -0.02 -0.04 0.03 -0.00 -0.20 0.14 0.17 -0.31 0.17 -0.01 0.03 -0.05 -0.02 0.03 -0.07 0.06 0.01 0.01 0.00 0.01 0.01 0.00 0.02 0.00 -0.01 0.03 0.02 -0.04 0.01 -0.02 0.01 -0.04 0.04 0.03 -0.07 0.17 0.02 0.00 -0.01 -0.01 -0.01 0.00 -0.00 0.02 0.01 -0.01 0.02 -0.02 -0.02 -0.02 -0.10 0.05 -0.01 -0.02 -0.02 -0.02 -0.02 0.01 -0.05 -0.07 0.00 -0.02 0.01 0.01 0.03 0.01 -0.03 0.02 -0.00 -0.01 -0.01 0.04 -0.02 0.04 0.04 0.01 0.01 -0.01 -0.00 -0.02 0.01 -0.00 -0.02 0.01 -0.00 -0.05 0.01 0.10 0.05 0.30 0.01 -0.23 0.23 0.04 -0.07 -0.01 -0.11 0.08 0.06 -0.01 -0.15 0.11 0.31 0.19 -0.47 0.02 0.09 0.14 -0.42 0.00 -0.03 -0.03 -0.03 -0.01 -0.03 -0.03 -0.03 0.03 -0.03 -0.03 -0.01 -0.10 -0.08 -0.01 -0.02 0.03 -0.01 -0.01 0.03 0.04 0.03 0.02 -0.04 0.02 -0.01 -0.01 -0.02 0.12 -0.06 0.08 0.10 0.01 0.01 -0.02 0.01 -0.03 0.00 -0.01 -0.02 0.01 -0.00 -0.02 0.02 -0.00 -0.07 -0.04 0.03 -0.06 0.13 0.09 -0.03 -0.07 0.05 0.01 0.05 -0.02 -0.01 0.01 -0.11 0.17 0.02 0.02 0.07 -0.14 -0.05 0.03 -0.00 -0.01 0.05 0.02 0.00 -0.04 0.03 0.03 -0.02 -0.06 0.05 0.06 0.02 -0.02 -0.00 -0.01 0.09 -0.13 0.17 0.11 -0.05 0.03 -0.10 -0.06 0.01 -0.02 -0.18 0.14 0.01 0.01 -0.00 0.02 0.09 0.05 0.02 0.18 -0.10 -0.03 -0.09 -0.08 -0.10 -0.01 -0.08 -0.04 0.01 -0.06 -0.02 0.02 -0.01 0.02 0.06 -0.03 -0.02 0.04 0.01 -0.02 0.05 0.02 -0.01 0.03 0.02 -0.02 -0.05 0.04 0.05 0.05 -0.06 0.04 -0.04 0.03 0.20 -0.07 -0.12 0.07 0.04 0.04 0.08 -0.03 -0.05 -0.22 -0.02 0.17 -0.11 -0.09 0.00 0.02 -0.11 0.02 -0.02 -0.29 0.16 -0.01 0.03 0.01 -0.02 0.04 0.00 0.03 0.08 0.12 0.05 0.28 -0.15 -0.05 -0.07 -0.22 -0.20 0.09 -0.20 -0.08 -0.09 -0.07 -0.02 -0.01 0.01 -0.00 0.07 -0.01 -0.07 0.10 -0.05 0.00 -0.02 -0.05 0.01 0.03 -0.07 0.05 -0.11 -0.11 -0.01 0.21 -0.05 -0.03 0.02 0.10 -0.11 -0.10 -0.03 0.05 -0.04 0.10 0.01 0.07 0.07 -0.06 0.16 -0.01 -0.03 0.02 0.07 -0.05 -0.03 -0.03 0.01 0.04 0.05 -0.04 0.01 0.00 0.18 -0.02 -0.08 0.04 -0.03 0.03 -0.10 -0.06 -0.01 -0.02 -0.03 -0.08 0.01 -0.00 0.00 0.01 -0.07 -0.03 0.04 -0.10 0.04 0.05 -0.00 0.04 -0.02 0.04 0.04 0.01 -0.02 0.06 0.01 -0.00 -0.00 0.01 0.03 -0.01 -0.01 0.08 0.10 -0.13 0.09 -0.10 -0.00 0.22 -0.06 -0.11 -0.09 0.08 -0.17 0.12 0.11 -0.05 0.02 0.02 0.28 -0.24 -0.02 0.11 0.06 0.03 0.36 0.00 -0.05 -0.23 -0.02 0.18 -0.13 -0.08 -0.05 0.04 -0.14 -0.01 -0.05 -0.08 -0.08 -0.01 0.02 0.03 -0.04 0.03 0.02 0.04 -0.08 -0.06 0.05 -0.14 0.07 0.05 -0.01 0.13 -0.05 0.08 0.10 0.01 0.03 0.08 -0.01 -0.02 0.02 -0.00 0.03 0.00 -0.04 0.04 -0.03 0.00 -0.03 -0.07 -0.01 -0.05 -0.01 -0.08 -0.08 -0.11 -0.02 0.24 -0.01 -0.06 0.10 0.12 0.28 0.04 0.03 -0.07 0.03 -0.03 0.02 -0.07 0.07 0.05 -0.08 -0.02 0.05 -0.07 0.07 0.18 -0.07 -0.00 -0.00 0.09 0.06 0.04 0.01 0.01 -0.10 0.00 -0.01 -0.07 -0.06 -0.04 -0.04 -0.03 0.02 -0.02 0.01 -0.02 -0.04 0.00 0.00 0.00 0.05 0.01 -0.06 0.03 0.01 -0.04 -0.05 0.01 0.01 -0.09 0.01 -0.02 0.04 -0.03 0.01 0.00 -0.00 0.01 0.03 -0.01 -0.00 -0.08 0.06 0.03 -0.09 -0.05 0.11 -0.02 -0.04 0.04 -0.02 0.17 0.43 -0.38 -0.07 0.17 0.07 -0.04 -0.27 0.15 0.17 -0.05 -0.05 -0.06 -0.11 -0.10 -0.04 -0.05 -0.07 -0.04 -0.04 -0.06 0.06 -0.03 -0.00 0.02 0.01 0.05 -0.01 -0.03 0.01 -0.00 -0.01 0.01 -0.00 -0.01 0.06 0.01 -0.08 0.04 0.02 -0.05 -0.05 0.02 0.06 -0.13 0.02 -0.01 0.03 -0.06 0.04 -0.01 -0.00 0.01 0.02 -0.02 -0.03 0.05 -0.02 0.01 0.03 0.01 0.12 -0.00 0.01 -0.02 -0.03 -0.04 0.10 0.04 -0.01 -0.00 0.00 -0.01 -0.06 -0.02 -0.01 0.02 -0.01 0.02 0.00 0.05 -0.02 -0.02 -0.07 0.01 -0.09 -0.02 -0.06 0.05 0.06 -0.03 0.09 0.01 0.01 -0.02 -0.06 -0.03 -0.14 0.01 0.01 -0.02 0.14 0.11 -0.08 0.01 -0.04 0.04 0.02 0.01 -0.00 -0.01 0.00 0.02 -0.02 -0.00 0.02 -0.02 0.01 0.02 0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.01 0.02 0.00 -0.02 0.01 -0.03 -0.05 0.04 -0.01 0.07 -0.01 0.05 -0.07 0.03 -0.14 -0.11 0.03 -0.09 0.01 0.01 0.22 -0.10 -0.21 0.06 -0.05 -0.04 -0.13 0.02 -0.06 -0.12 -0.09 -0.05 -0.23 0.26 -0.08 -0.36 0.18 0.46 -0.14 0.05 -0.17 0.12 -0.16 -0.05 -0.03 0.04 0.00 0.00 -0.03 0.06 -0.01 -0.01 0.04 0.08 -0.02 -0.00 0.02 -0.03 0.01 0.02 0.00 -0.02 0.03 -0.03 -0.01 0.00 -0.00 0.03 -0.01 -0.01 0.04 -0.03 -0.03 0.07 0.04 -0.10 0.03 -0.03 0.00 0.01 -0.03 -0.01 0.01 -0.06 -0.01 0.01 -0.04 -0.01 0.00 0.01 -0.02 -0.01 -0.10 -0.01 -0.01 0.02 0.00 0.00 -0.01 0.02 0.01 -0.03 0.05 0.12 0.00 -0.06 -0.11 0.13 -0.00 0.01 -0.04 -0.01 0.01 -0.03 0.03 0.01 0.10 0.03 0.01 -0.06 -0.02 -0.01 0.01 -0.00 0.01 -0.01 0.06 0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.01 0.02 -0.00 -0.01 0.01 0.01 -0.01 0.04 -0.04 -0.01 0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.01 -0.01 0.00 0.00 -0.01 0.01 0.10 0.18 -0.01 -0.06 0.17 0.02 0.02 0.05 0.57 -0.29 -0.49 0.16 0.08 0.02 0.25 -0.05 -0.10 0.07 0.02 -0.00 0.09 -0.04 0.03 0.07 -0.03 -0.08 0.02 -0.01 0.02 -0.02 0.02 0.01 -0.00 0.12 -0.01 0.00 0.01 -0.01 0.00 -0.00 -0.01 -0.02 -0.01 -0.01 0.03 -0.00 -0.02 0.02 0.01 -0.02 0.08 -0.09 -0.03 0.01 -0.00 0.02 -0.02 0.00 -0.00 0.01 0.01 -0.01 -0.01 0.02 -0.01 0.01 -0.07 -0.01 -0.00 -0.02 0.05 0.02 0.12 0.14 0.11 0.20 -0.07 -0.06 0.06 -0.07 -0.05 -0.03 0.03 0.01 -0.06 0.08 0.04 0.09 -0.12 0.02 -0.05 0.02 -0.07 0.03 -0.10 -0.02 0.06 -0.08 0.06 0.06 -0.01 -0.03 -0.04 -0.02 -0.10 -0.02 0.02 0.02 -0.16 -0.05 0.08 -0.07 0.03 -0.09 -0.04 0.05 0.00 0.00 -0.01 -0.05 -0.06 0.07 0.02 -0.05 0.08 0.02 -0.02 -0.03 -0.03 -0.01 -0.03 -0.01 -0.06 0.08 0.04 0.02 -0.02 0.05 0.08 -0.05 0.01 0.10 -0.11 0.10 0.01 0.11 -0.18 -0.16 0.08 -0.01 0.04 -0.10 -0.01 0.07 -0.11 -0.02 -0.06 -0.00 -0.08 0.04 -0.07 -0.08 -0.04 0.00 -0.20 -0.30 0.10 0.29 -0.13 -0.33 0.16 -0.08 0.06 -0.10 0.02 0.01 -0.07 -0.08 0.05 -0.01 0.06 -0.06 -0.06 0.04 -0.05 -0.10 -0.06 0.10 0.02 -0.07 0.11 0.02 -0.02 -0.08 -0.05 0.02 -0.06 -0.02 -0.05 0.07 0.04 0.02 -0.02 0.05 0.08 -0.05 -0.08 0.15 -0.08 0.05 0.04 0.08 -0.02 -0.04 0.09 0.02 -0.18 -0.08 -0.14 0.01 -0.05 -0.03 0.10 -0.14 0.21 -0.02 0.02 -0.02 -0.04 0.05 0.03 0.09 -0.17 0.00 0.04 0.09 0.02 0.05 -0.11 -0.02 0.04 -0.03 -0.12 0.03 -0.07 0.06 0.05 0.04 0.07 -0.01 0.02 0.02 0.08 0.07 -0.01 0.03 -0.01 0.03 -0.05 0.10 -0.00 0.01 -0.01 0.01 -0.04 0.04 -0.01 -0.04 0.06 0.00 -0.03 -0.04 -0.03 -0.02 -0.04 -0.02 -0.03 0.04 0.03 0.00 -0.00 -0.02 -0.02 0.02 -0.00 0.05 -0.22 0.06 0.19 0.32 -0.15 -0.23 0.23 0.21 0.10 -0.23 -0.21 0.11 0.14 -0.06 0.04 0.07 0.18 0.01 -0.07 0.05 0.07 0.06 0.04 0.14 0.03 -0.05 0.06 0.14 -0.03 0.05 -0.06 0.05 -0.04 -0.00 0.00 -0.08 0.11 -0.01 -0.01 0.01 0.02 -0.01 0.00 0.02 -0.03 0.05 -0.02 -0.07 0.09 -0.01 -0.02 -0.13 -0.05 -0.00 -0.10 -0.03 -0.02 0.03 0.04 0.01 0.01 -0.02 -0.02 0.02 0.04 -0.06 0.02 -0.02 0.07 -0.03 0.04 0.00 -0.01 -0.02 -0.06 -0.00 0.03 -0.12 0.11 0.06 0.03 0.06 0.12 -0.04 -0.04 0.00 0.03 -0.02 -0.04 0.15 -0.02 -0.04 0.05 0.05 -0.12 -0.02 0.08 0.03 0.12 -0.07 0.01 -0.02 0.06 0.04 -0.02 -0.00 -0.04 0.01 -0.00 -0.01 -0.08 0.11 0.05 -0.13 0.02 -0.12 0.02 -0.02 -0.01 -0.04 -0.01 -0.08 0.00 -0.12 -0.00 -0.05 -0.07 0.01 0.01 0.00 0.01 -0.00 0.01 0.00 0.05 -0.05 -0.04 -0.02 -0.01 0.08 0.09 -0.04 0.02 0.22 0.07 0.02 0.10 0.15 -0.24 -0.09 0.12 -0.08 -0.02 0.05 -0.04 -0.04 0.18 0.01 0.00 0.01 0.06 -0.09 -0.08 -0.06 -0.01 0.00 -0.03 -0.20 0.18 0.13 -0.06 -0.06 0.10 -0.04 -0.20 -0.00 -0.28 -0.03 -0.26 0.03 -0.01 -0.00 0.04 -0.04 -0.13 0.05 -0.04 -0.11 -0.00 -0.21 0.01 -0.07 -0.09 0.04 0.00 0.02 0.02 -0.02 0.03 0.01 0.09 -0.04 -0.06 0.01 0.03 0.08 0.12 0.02 -0.15 0.20 -0.16 0.09 0.17 -0.02 0.01 0.01 -0.00 0.01 -0.05 -0.05 -0.06 0.02 -0.09 -0.02 -0.05 -0.03 -0.09 0.03 0.02 0.01 -0.01 -0.00 0.02 -0.08 0.06 0.06 -0.08 -0.05 0.14 0.00 -0.03 -0.03 0.04 0.04 -0.03 -0.02 -0.06 -0.03 0.01 -0.01 0.02 -0.00 0.00 0.00 0.04 0.16 0.06 -0.07 0.02 -0.10 -0.00 -0.00 0.01 -0.06 0.01 -0.08 0.01 0.08 -0.01 0.05 0.04 -0.01 0.01 0.00 0.00 0.01 -0.00 0.00 -0.03 0.02 0.03 -0.06 0.01 0.10 0.07 -0.03 0.03 -0.08 0.05 0.11 -0.15 -0.16 0.26 0.08 -0.13 0.08 0.00 -0.01 0.02 0.01 -0.11 -0.01 0.00 -0.03 -0.11 0.17 0.07 0.06 -0.01 -0.02 -0.06 -0.06 0.21 0.11 0.02 0.02 0.09 0.07 -0.29 0.04 -0.29 -0.04 -0.29 0.00 -0.01 0.01 -0.01 -0.01 -0.12 0.04 -0.03 -0.10 0.02 0.14 -0.02 0.07 0.06 -0.05 0.00 0.01 -0.01 0.01 -0.01 0.00 -0.06 0.01 0.04 -0.01 0.07 0.11 0.12 0.07 -0.20 0.21 -0.20 0.11 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.02 0.01 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 -0.07 -0.10 0.01 0.02 0.03 0.00 -0.01 -0.01 -0.02 0.01 0.01 -0.02 -0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.01 -0.02 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.02 -0.00 0.01 -0.01 0.00 0.05 0.10 -0.11 0.08 0.06 0.10 0.00 0.00 0.00 -0.12 0.30 -0.21 0.30 0.08 0.22 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 0.15 0.30 0.02 0.29 0.54 -0.01 -0.16 -0.35 0.00 0.01 0.01 -0.03 -0.01 0.07 0.03 -0.03 -0.03 -0.03 0.05 0.22 0.05 0.11 -0.03 -0.08 -0.02 0.03 -0.08 0.01 0.03 -0.02 -0.02 0.01 0.08 -0.11 -0.05 0.16 0.05 -0.14 -0.07 -0.00 0.02 -0.02 0.12 0.15 -0.05 0.00 -0.01 0.00 0.00 -0.06 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.02 0.07 0.01 0.00 -0.00 0.00 -0.07 -0.18 0.08 -0.11 -0.08 0.07 -0.00 -0.01 -0.01 0.01 -0.03 -0.01 0.06 0.01 -0.08 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.06 -0.05 0.18 -0.17 -0.14 0.23 0.03 -0.12 0.08 -0.03 -0.07 -0.03 0.07 -0.19 -0.06 -0.02 -0.03 -0.17 0.24 0.08 0.07 -0.03 -0.02 -0.13 -0.00 0.01 0.03 -0.02 -0.04 -0.01 -0.00 0.02 -0.01 0.01 0.01 0.02 -0.04 0.08 0.01 -0.01 0.03 -0.02 0.03 0.01 0.03 -0.10 -0.33 0.14 -0.21 -0.19 0.24 0.00 -0.08 -0.03 0.03 -0.11 -0.02 0.15 0.07 -0.15 0.02 0.03 -0.00 0.03 0.06 0.01 -0.03 -0.03 -0.01 -0.03 -0.00 0.01 -0.01 0.02 0.00 0.03 -0.00 0.01 -0.00 0.02 0.00 0.03 -0.02 0.03 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.02 0.00 -0.03 0.03 0.01 -0.04 0.01 -0.03 -0.00 -0.06 0.05 0.02 0.02 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.11 -0.11 -0.04 0.08 -0.05 -0.06 -0.01 0.02 -0.00 -0.10 0.07 -0.05 -0.01 -0.01 0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.16 0.11 0.17 0.04 -0.03 0.03 -0.08 -0.05 -0.10 0.04 0.02 -0.05 0.01 0.02 -0.03 0.01 -0.03 -0.01 0.01 -0.01 -0.00 0.00 0.01 0.04 -0.08 -0.02 -0.02 0.01 0.01 0.05 0.19 -0.18 -0.13 0.15 0.03 -0.06 0.11 0.07 -0.20 0.29 -0.06 0.00 -0.01 0.03 -0.00 -0.04 0.00 -0.05 -0.10 0.06 -0.07 -0.01 -0.02 0.01 -0.02 -0.01 0.02 -0.00 -0.02 -0.01 -0.00 -0.02 -0.01 0.01 0.01 -0.01 -0.19 0.01 0.18 -0.04 -0.13 -0.43 0.44 -0.14 0.22 0.00 -0.01 0.00 -0.01 0.14 0.02 0.01 -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 0.01 -0.01 0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.15 -0.03 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.02 0.25 0.04 0.02 -0.22 -0.04 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.02 0.03 0.01 0.00 0.00 0.00 0.01 -0.02 -0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.00 0.04 -0.43 -0.08 -0.00 0.01 -0.01 0.01 0.00 0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.03 0.35 0.06 0.06 -0.70 -0.12 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.10 -0.13 0.06 -0.02 0.08 0.02 0.13 -0.04 0.03 -0.04 0.01 -0.01 0.09 -0.04 0.08 -0.00 -0.01 -0.01 -0.02 0.02 0.01 -0.12 0.11 -0.09 0.09 0.04 -0.13 0.05 -0.13 -0.02 -0.19 0.21 0.08 0.05 -0.04 0.04 -0.01 -0.00 -0.01 0.02 -0.12 -0.01 -0.04 0.08 0.03 -0.06 0.04 -0.00 -0.02 0.10 0.01 0.02 -0.02 -0.00 -0.02 -0.01 -0.02 -0.02 0.02 0.00 -0.01 -0.04 -0.02 -0.01 -0.01 -0.01 -0.01 0.01 0.00 0.05 -0.03 -0.05 0.00 0.00 -0.01 -0.34 -0.10 -0.33 0.05 -0.03 -0.03 0.15 0.01 -0.17 0.00 -0.11 -0.03 0.02 -0.08 -0.02 0.04 0.01 0.13 -0.26 -0.05 -0.08 -0.00 -0.02 0.15 -0.15 0.09 0.01 -0.06 0.03 0.04 -0.03 -0.14 0.14 -0.25 0.00 -0.13 -0.05 0.20 0.02 0.02 -0.05 0.03 0.01 -0.05 -0.05 -0.02 -0.00 -0.02 -0.04 0.03 0.00 0.00 -0.14 -0.03 0.01 -0.06 -0.02 0.01 0.01 0.01 0.05 -0.02 -0.05 0.01 0.02 0.13 -0.11 0.04 -0.06 0.02 -0.02 0.01 -0.02 -0.08 -0.02 0.03 0.00 -0.00 -0.02 -0.09 -0.00 -0.01 -0.03 0.04 0.12 0.15 -0.20 -0.03 -0.04 0.06 -0.03 -0.02 -0.02 0.03 -0.00 -0.03 0.07 0.07 0.07 -0.03 0.02 0.00 -0.03 -0.08 -0.08 0.00 0.00 0.00 0.01 0.14 0.04 0.01 0.03 0.01 -0.00 0.01 -0.00 -0.01 -0.08 -0.04 0.00 -0.00 -0.00 -0.09 -0.09 0.23 0.04 -0.02 0.07 -0.04 0.02 -0.02 -0.04 0.02 -0.01 0.03 0.14 -0.11 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.06 -0.05 -0.07 0.06 0.05 -0.06 -0.03 0.03 0.01 0.16 0.01 0.07 0.09 0.08 0.07 -0.01 0.01 0.04 -0.07 -0.01 -0.02 0.02 0.02 0.05 -0.01 0.02 0.00 0.01 0.02 0.01 0.02 -0.05 0.03 -0.05 -0.00 -0.04 -0.04 -0.17 -0.07 -0.00 -0.01 0.01 0.00 -0.01 -0.02 -0.16 -0.16 0.37 -0.07 -0.22 0.32 -0.05 0.11 0.01 -0.03 0.11 0.00 0.07 0.31 -0.33 0.01 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.02 -0.02 0.01 -0.05 -0.11 -0.01 0.02 -0.01 -0.00 -0.02 0.05 0.01 0.06 -0.05 -0.02 -0.01 -0.02 -0.00 0.07 0.15 -0.16 -0.02 -0.03 -0.00 -0.01 -0.01 0.01 0.16 0.01 0.06 -0.04 0.04 0.01 0.06 -0.00 -0.00 -0.00 0.00 0.00 0.03 0.21 0.07 0.00 0.02 0.01 -0.00 0.01 -0.00 -0.02 -0.09 -0.07 0.00 -0.00 -0.00 0.02 0.05 -0.10 -0.07 -0.07 0.11 -0.07 0.02 -0.04 -0.06 0.02 -0.02 -0.06 -0.10 0.13 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.09 -0.10 -0.05 0.00 0.00 0.01 -0.02 -0.00 0.03 0.27 -0.02 0.13 0.22 -0.06 0.08 -0.01 0.00 -0.01 0.01 0.01 0.01 0.01 0.01 0.00 -0.01 0.01 -0.00 0.00 0.01 0.01 0.01 -0.03 0.03 -0.04 -0.00 -0.03 -0.09 -0.25 -0.12 -0.00 -0.00 0.01 0.00 -0.01 -0.01 0.03 0.08 -0.13 -0.17 -0.19 0.28 -0.08 0.13 0.01 -0.03 0.18 -0.01 -0.15 -0.30 0.38 0.01 0.00 -0.00 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.00 -0.04 -0.08 -0.01 0.00 -0.01 -0.00 -0.03 0.09 0.01 0.07 -0.03 -0.04 -0.07 -0.10 0.12 -0.08 -0.10 0.16 0.00 -0.00 0.00 -0.01 -0.01 0.01 0.14 -0.01 0.03 -0.02 0.03 0.01 0.07 0.02 0.05 -0.00 -0.00 -0.00 0.02 0.14 0.06 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.05 -0.05 0.00 -0.00 0.00 -0.01 -0.04 -0.04 0.01 0.11 -0.15 -0.05 0.01 -0.03 -0.04 0.01 -0.02 0.05 0.05 -0.09 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.05 0.01 -0.03 -0.03 0.02 0.03 -0.02 -0.00 0.20 -0.02 0.11 0.18 -0.09 0.05 0.00 -0.00 -0.01 0.02 0.01 0.01 -0.01 -0.00 -0.02 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.08 -0.18 -0.09 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.09 0.16 0.41 -0.52 -0.06 0.08 0.00 -0.02 0.13 -0.01 0.18 0.18 -0.26 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.06 -0.04 -0.05 0.04 0.01 -0.07 -0.03 0.03 -0.13 -0.08 0.03 0.09 0.04 0.01 0.03 -0.03 -0.01 -0.01 0.04 0.01 0.11 0.19 0.04 -0.01 0.05 -0.01 0.15 0.00 0.06 0.11 -0.01 0.03 0.03 -0.13 -0.08 -0.02 -0.00 -0.02 0.06 -0.12 0.02 -0.05 -0.08 -0.06 -0.03 -0.02 -0.01 -0.01 0.05 -0.04 -0.00 -0.01 0.02 -0.03 0.03 0.00 0.02 0.02 0.03 -0.05 -0.01 -0.04 -0.05 0.01 -0.02 -0.03 0.03 0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.17 0.24 0.21 -0.23 -0.26 0.11 0.33 -0.14 -0.23 0.09 0.07 0.11 0.14 -0.09 0.07 0.12 -0.05 0.00 0.06 -0.04 -0.00 -0.12 -0.11 -0.12 0.01 -0.03 0.04 -0.06 -0.13 -0.05 -0.09 0.17 -0.13 0.12 0.04 0.14 -0.10 0.13 -0.04 0.03 0.03 -0.05 0.01 0.04 0.08 -0.04 0.08 0.03 -0.02 0.02 0.06 -0.04 -0.12 -0.01 0.00 -0.13 -0.06 -0.03 0.02 0.04 -0.02 -0.00 -0.01 -0.02 -0.04 0.00 0.00 0.03 -0.01 0.01 0.01 -0.01 0.01 0.03 0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 0.02 0.03 0.01 0.00 0.02 -0.01 -0.03 -0.03 -0.03 0.01 0.02 0.01 0.01 -0.02 0.04 -0.00 0.00 -0.01 -0.02 0.04 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.02 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.04 0.00 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.03 0.03 -0.05 -0.06 0.01 0.08 -0.02 -0.05 -0.02 -0.03 -0.00 -0.06 -0.05 -0.04 0.04 -0.01 0.02 -0.01 -0.02 -0.01 -0.04 -0.03 -0.02 0.01 0.00 0.02 -0.01 -0.03 -0.01 -0.02 0.04 -0.04 0.02 0.02 0.04 0.00 0.12 0.04 0.01 0.01 -0.03 0.01 0.01 0.03 -0.01 -0.02 0.02 -0.02 -0.01 0.02 -0.05 0.59 0.08 -0.06 0.72 0.13 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 0.01 0.03 -0.02 0.03 -0.07 -0.01 -0.02 -0.02 0.02 -0.01 -0.00 -0.10 -0.02 -0.03 -0.04 0.03 0.05 -0.09 -0.00 0.01 0.01 0.02 0.09 0.02 0.01 0.05 -0.04 -0.08 -0.07 -0.09 0.05 0.00 0.02 0.08 -0.07 0.37 -0.01 0.01 -0.02 -0.05 0.12 -0.01 -0.02 -0.02 -0.02 -0.02 -0.01 -0.01 -0.01 -0.01 0.04 -0.00 -0.01 0.01 -0.02 -0.03 -0.03 -0.04 0.01 -0.02 0.03 0.03 0.03 0.04 0.08 0.03 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.04 0.10 0.09 -0.16 -0.18 0.06 0.28 -0.07 -0.13 -0.03 -0.05 0.01 -0.13 -0.14 -0.08 0.15 -0.03 0.10 -0.04 -0.08 -0.03 -0.11 -0.11 -0.04 0.01 0.00 0.03 -0.02 -0.06 -0.02 -0.04 0.08 -0.07 0.04 0.02 0.07 0.06 -0.37 -0.01 0.02 0.02 -0.04 0.01 0.02 0.06 -0.04 -0.10 0.01 -0.13 -0.07 0.11 0.06 -0.34 -0.09 0.06 -0.32 -0.03 0.05 -0.00 0.01 -0.01 -0.01 -0.01 -0.02 -0.03 0.01 -0.00 0.02 -0.01 -0.03 -0.04 0.14 -0.03 0.04 0.01 0.04 0.10 -0.07 0.00 0.02 -0.04 -0.02 0.01 -0.04 0.01 0.02 -0.03 0.00 0.01 -0.01 -0.10 -0.01 -0.07 -0.02 0.01 0.01 0.08 0.06 0.06 0.03 -0.16 -0.11 0.03 -0.02 0.14 0.03 0.01 0.03 0.05 -0.11 0.01 -0.02 0.04 0.07 -0.03 -0.02 0.02 0.01 0.01 -0.03 -0.03 -0.01 -0.06 -0.02 -0.04 0.03 -0.01 0.01 -0.03 -0.03 -0.02 -0.02 -0.03 -0.03 -0.02 -0.00 -0.03 0.03 0.04 0.01 -0.01 0.02 -0.01 0.01 -0.04 0.04 0.02 -0.08 -0.07 0.09 0.11 -0.02 0.05 0.05 0.07 0.04 0.11 0.02 0.07 0.10 0.00 0.10 -0.00 -0.03 0.02 -0.01 -0.04 0.03 0.06 -0.17 -0.24 0.03 0.39 0.01 0.07 0.06 -0.16 0.08 0.04 0.15 -0.06 0.27 0.00 0.04 0.05 -0.19 0.02 0.07 0.08 0.14 0.21 -0.31 -0.08 -0.09 0.11 -0.04 0.13 0.05 -0.02 0.08 -0.01 0.11 0.14 -0.18 0.04 -0.05 0.01 -0.03 -0.10 0.03 0.03 0.05 0.01 -0.04 0.00 -0.03 -0.02 0.03 0.01 -0.00 0.01 0.01 -0.00 0.00 -0.03 -0.02 0.01 -0.05 0.01 0.02 -0.02 -0.01 -0.01 0.01 -0.02 -0.02 -0.01 0.00 -0.01 -0.00 0.05 0.05 0.05 -0.00 -0.05 -0.00 0.02 -0.02 0.11 0.01 0.00 0.00 0.03 -0.08 0.00 0.03 0.01 -0.01 0.07 0.03 0.00 0.01 0.00 -0.03 0.03 0.03 0.02 0.02 0.03 -0.05 -0.02 -0.02 0.02 -0.02 -0.01 -0.02 -0.02 -0.02 -0.01 0.02 0.03 -0.04 -0.04 -0.03 0.01 -0.01 0.01 -0.00 0.01 0.01 0.01 0.02 0.01 -0.00 -0.02 0.01 0.02 0.03 0.06 0.03 0.08 0.02 0.06 -0.01 0.01 0.01 -0.01 0.00 -0.00 0.02 0.01 0.02 -0.06 0.06 0.05 0.04 -0.10 0.02 0.01 -0.18 0.26 -0.10 -0.09 -0.25 -0.04 0.22 0.00 -0.07 -0.08 0.24 -0.04 -0.10 -0.19 -0.21 -0.38 0.41 0.02 0.07 -0.09 -0.03 0.09 0.04 -0.01 0.03 -0.01 -0.11 -0.21 0.26 -0.01 0.05 0.01 0.06 0.14 -0.04 -0.02 -0.08 0.01 0.03 -0.01 0.05 0.00 -0.01 -0.00 0.01 0.02 -0.03 0.00 -0.00 0.01 0.00 -0.00 0.02 -0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.02 -0.01 0.00 0.00 -0.03 -0.01 0.01 -0.04 0.00 0.00 0.00 -0.01 0.02 0.00 -0.03 0.01 0.03 -0.06 -0.03 0.01 -0.00 -0.00 0.01 -0.03 -0.03 -0.03 0.03 0.05 -0.05 -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 0.01 0.00 0.02 0.04 -0.05 0.04 0.02 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.02 -0.02 0.02 0.03 -0.01 0.01 -0.00 -0.02 -0.01 -0.01 -0.00 -0.01 0.02 -0.00 0.02 0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.06 -0.08 -0.09 -0.02 0.18 -0.01 0.02 0.15 -0.24 0.09 0.08 0.23 0.01 -0.05 -0.00 0.06 0.08 -0.23 0.03 0.09 0.16 -0.22 -0.39 0.46 0.07 0.11 -0.14 0.01 -0.03 -0.01 0.00 -0.03 -0.00 -0.15 -0.24 0.30 0.02 -0.05 -0.00 -0.05 -0.14 0.04 0.02 0.07 -0.00 -0.06 -0.02 0.05 0.01 -0.02 -0.00 0.01 0.05 -0.02 0.01 0.01 0.03 0.02 -0.01 0.08 -0.01 -0.01 0.02 0.00 -0.00 -0.00 -0.06 0.04 -0.03 -0.01 0.07 -0.03 -0.02 -0.07 -0.04 0.02 -0.11 -0.05 -0.02 0.02 -0.10 0.02 0.03 0.01 -0.02 0.06 0.00 0.01 0.00 0.01 0.05 0.03 0.01 -0.01 0.01 0.02 0.02 0.04 0.00 0.01 0.01 0.00 0.01 -0.01 0.01 0.01 0.01 0.01 0.02 -0.00 0.00 -0.00 0.01 -0.01 -0.03 -0.03 0.00 -0.00 0.00 0.00 -0.03 0.05 0.11 -0.26 -0.27 0.10 0.42 -0.10 -0.07 -0.00 -0.09 -0.06 -0.03 -0.01 -0.05 0.28 -0.04 0.20 -0.04 -0.14 -0.01 -0.16 -0.17 -0.06 -0.04 -0.05 -0.08 0.04 0.07 0.01 0.00 -0.15 0.23 -0.06 -0.09 -0.22 0.03 -0.24 -0.02 -0.06 -0.08 0.20 -0.04 -0.08 -0.20 -0.00 -0.01 0.03 0.04 0.03 -0.04 0.02 -0.06 -0.03 0.00 0.06 0.02 -0.03 -0.03 0.03 0.01 0.03 0.01 0.06 0.13 -0.02 -0.01 -0.07 0.01 0.01 0.01 -0.05 0.00 0.01 -0.01 -0.01 -0.02 0.02 0.03 0.01 -0.00 -0.03 -0.03 0.01 -0.01 0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.05 0.02 0.00 0.05 -0.02 -0.00 -0.00 0.01 -0.02 0.02 0.02 -0.03 0.04 -0.01 -0.00 0.02 -0.01 -0.00 0.03 0.01 0.02 0.03 -0.00 -0.00 -0.01 -0.00 0.01 -0.10 -0.02 -0.01 -0.02 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.03 -0.01 -0.01 0.06 0.01 0.01 -0.01 0.00 0.00 0.02 0.00 -0.00 0.00 -0.00 -0.03 -0.07 0.02 -0.17 -0.17 -0.05 0.27 -0.04 0.03 0.03 -0.06 -0.06 0.06 0.06 0.01 0.21 -0.03 0.15 -0.03 -0.12 -0.02 -0.15 -0.14 -0.09 0.00 0.08 0.08 0.00 -0.07 0.01 0.04 0.01 -0.07 -0.02 0.04 0.07 -0.05 0.64 0.11 0.02 0.04 -0.08 0.02 0.03 0.09 0.03 0.00 -0.01 0.02 -0.00 -0.03 -0.03 0.26 0.04 0.02 -0.35 -0.06 0.00 0.01 -0.03 -0.01 -0.00 -0.00 -0.03 -0.05 -0.01 0.01 0.02 -0.00 0.01 0.01 -0.05 -0.01 0.00 -0.00 -0.01 -0.02 0.03 0.04 0.01 -0.00 -0.06 -0.01 -0.00 -0.04 0.01 0.05 -0.01 -0.04 0.02 -0.03 -0.03 0.01 0.01 0.02 -0.02 0.04 -0.02 0.05 0.00 -0.00 0.02 -0.06 0.05 0.00 0.00 0.01 -0.01 0.03 -0.04 0.01 0.03 0.03 -0.00 -0.00 -0.01 -0.00 0.01 0.06 -0.02 -0.01 -0.03 0.01 0.03 0.00 0.01 0.04 0.07 -0.12 -0.02 0.02 -0.01 -0.02 -0.03 -0.02 0.03 0.00 -0.03 0.00 0.02 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.06 -0.06 -0.01 0.12 -0.02 0.01 0.03 -0.09 -0.11 0.15 0.11 0.04 0.09 -0.00 0.09 -0.06 -0.06 -0.03 -0.05 -0.05 -0.01 -0.00 0.09 0.09 0.00 -0.08 0.02 0.05 0.01 -0.08 -0.02 0.04 0.07 0.03 -0.30 -0.09 0.02 0.04 -0.08 0.03 0.03 0.11 0.02 -0.06 0.02 -0.20 -0.46 0.52 0.00 -0.16 0.02 -0.03 0.18 0.02 -0.10 -0.18 0.19 -0.02 -0.00 -0.00 -0.04 -0.06 -0.01 0.01 0.02 -0.00 -0.01 -0.01 0.05 0.00 -0.00 0.01 0.01 0.02 -0.03 -0.03 -0.00 0.01 0.06 0.01 0.01 -0.00 -0.05 0.03 -0.03 -0.00 0.03 0.03 0.03 -0.01 -0.01 -0.02 0.02 -0.03 0.01 -0.05 0.00 0.01 -0.02 0.05 -0.04 -0.02 -0.00 -0.01 0.01 -0.03 0.05 -0.01 -0.03 -0.03 -0.00 0.00 0.01 0.01 -0.01 -0.07 0.01 0.01 0.03 -0.01 -0.02 -0.01 -0.02 0.05 0.09 -0.09 0.01 -0.02 0.00 0.02 0.04 0.02 0.00 0.03 -0.03 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.02 0.02 -0.00 0.06 0.07 0.01 -0.13 0.02 -0.02 -0.01 0.07 0.10 -0.13 -0.12 -0.05 -0.10 0.01 -0.09 0.06 0.07 0.03 0.06 0.06 0.01 0.00 -0.10 -0.09 -0.01 0.09 -0.02 -0.06 -0.01 0.08 0.02 -0.05 -0.08 -0.03 0.35 0.09 -0.02 -0.04 0.09 -0.03 -0.04 -0.12 -0.04 -0.01 0.02 -0.22 -0.37 0.51 -0.01 0.19 -0.02 0.04 -0.22 -0.02 -0.08 -0.17 0.23 0.02 0.01 0.00 0.04 0.07 0.01 -0.01 -0.02 0.00 0.00 0.02 0.06 -0.01 -0.01 0.01 -0.00 0.03 0.01 0.01 0.01 0.00 -0.01 0.01 0.04 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.11 0.08 -0.04 0.01 -0.02 -0.01 0.03 -0.08 -0.03 0.06 -0.10 -0.03 -0.00 0.01 -0.01 0.02 -0.02 -0.01 0.00 0.03 0.01 0.06 -0.01 -0.07 -0.02 0.01 -0.11 0.00 -0.02 0.00 0.06 -0.08 0.15 0.00 -0.00 0.01 0.00 -0.01 0.00 0.01 -0.02 -0.01 -0.00 0.02 -0.00 0.00 0.00 -0.01 -0.05 0.06 0.02 -0.04 0.03 -0.04 -0.07 0.11 0.02 0.16 0.13 0.16 -0.16 0.03 -0.06 0.05 -0.07 0.01 0.01 -0.06 -0.03 -0.18 0.05 -0.04 -0.15 0.08 -0.05 0.19 0.14 0.20 -0.19 0.17 0.14 0.27 -0.35 0.12 -0.05 0.05 -0.11 -0.17 0.13 0.03 -0.02 0.07 0.01 0.14 0.01 -0.03 0.15 -0.03 0.26 0.01 0.00 -0.02 0.02 0.01 -0.03 -0.01 0.14 0.02 0.03 -0.12 -0.03 -0.02 -0.03 0.03 -0.20 0.09 -0.06 -0.10 -0.07 -0.08 -0.04 0.06 -0.05 0.08 0.01 0.18 0.01 0.01 -0.02 0.03 0.01 -0.09 0.01 -0.01 -0.01 -0.03 -0.01 -0.04 -0.01 0.01 0.00 -0.00 -0.01 -0.00 0.12 -0.09 -0.01 -0.04 0.01 0.04 -0.01 0.05 0.05 -0.04 0.13 -0.03 -0.04 0.01 0.03 -0.02 0.03 0.03 0.01 -0.03 0.00 -0.03 -0.14 -0.10 -0.07 0.03 -0.11 0.00 0.01 -0.01 0.07 0.00 0.12 0.02 0.01 0.01 -0.01 -0.00 -0.01 -0.01 0.02 0.01 -0.01 -0.02 0.00 0.00 -0.01 0.00 -0.05 -0.00 0.01 -0.03 0.01 -0.04 0.08 -0.12 -0.08 -0.19 -0.13 -0.18 0.13 -0.02 0.13 -0.03 -0.01 -0.09 0.09 0.12 0.05 0.21 -0.06 0.03 0.25 -0.07 0.11 -0.21 -0.15 -0.24 -0.10 -0.10 -0.06 0.22 -0.14 0.03 -0.30 0.16 0.01 -0.05 0.03 -0.10 0.02 -0.04 -0.02 0.09 -0.10 0.18 0.05 -0.10 -0.05 0.01 -0.03 0.02 -0.00 -0.02 0.00 0.00 -0.13 0.01 -0.05 0.10 0.03 0.00 0.02 -0.04 -0.14 0.10 -0.06 0.02 0.11 -0.01 -0.08 0.02 -0.06 -0.04 -0.04 -0.04 0.01 0.00 0.00 0.02 0.00 0.01 -0.05 0.01 0.01 0.10 -0.01 -0.03 0.04 -0.06 -0.01 -0.03 0.03 0.02 -0.01 -0.10 -0.03 -0.03 0.02 0.01 -0.06 0.17 -0.03 -0.05 -0.03 0.00 0.10 -0.08 -0.03 0.01 0.03 0.02 -0.03 -0.03 -0.03 0.07 0.08 0.01 0.03 -0.01 -0.03 -0.03 0.01 0.03 0.01 -0.08 0.06 -0.05 -0.03 -0.02 0.01 0.03 0.02 0.01 0.03 0.02 0.03 -0.03 0.01 -0.01 0.04 -0.02 -0.01 0.05 0.01 -0.02 0.02 -0.02 -0.08 -0.18 -0.04 -0.14 -0.11 -0.08 0.12 -0.02 0.12 -0.08 0.28 0.18 -0.24 -0.07 -0.02 0.18 -0.03 0.09 0.09 -0.08 0.04 -0.13 -0.11 -0.10 -0.13 0.18 0.12 0.11 -0.17 0.09 0.16 -0.08 -0.10 -0.13 0.09 0.07 0.01 -0.09 0.02 0.06 0.07 -0.14 0.11 0.03 0.25 -0.03 0.13 -0.08 -0.04 0.06 0.03 0.03 -0.19 -0.09 0.01 0.15 0.05 -0.02 -0.12 0.19 -0.08 0.02 -0.02 -0.11 -0.14 -0.06 0.01 0.02 -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 -0.02 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.01 0.01 0.00 -0.01 0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.03 -0.06 0.08 -0.02 -0.03 0.03 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.05 0.07 -0.10 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.04 -0.04 0.04 0.03 0.01 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 0.02 -0.03 -0.01 -0.02 0.02 -0.02 -0.03 0.02 0.01 0.02 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.02 -0.02 -0.00 -0.04 0.21 0.37 -0.41 0.07 0.14 -0.18 -0.00 0.04 0.02 -0.01 -0.02 -0.00 -0.24 -0.44 0.54 0.01 -0.00 0.00 0.02 0.03 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.01 -0.01 0.00 0.00 -0.01 0.02 0.02 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.03 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.09 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.03 -0.13 -0.02 -0.01 0.07 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.02 -0.03 -0.02 -0.03 0.02 -0.00 0.02 -0.04 0.03 -0.02 0.02 0.03 0.02 0.03 -0.01 0.01 0.04 -0.01 0.02 -0.03 -0.02 -0.04 -0.01 0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 0.00 0.03 -0.51 -0.08 0.00 0.01 -0.01 0.01 0.00 0.01 -0.02 -0.01 0.02 -0.01 -0.00 0.01 -0.05 0.72 0.12 0.00 -0.37 -0.07 0.01 0.02 -0.01 0.00 0.01 0.00 0.01 0.01 -0.00 0.02 0.02 0.00 0.01 0.00 0.00 -0.25 -0.03 0.02 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -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 -0.00 0.00 -0.00 -0.05 -0.02 0.11 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.06 -0.05 0.22 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.38 0.08 -0.04 -0.06 0.04 -0.34 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 -0.01 0.01 0.01 0.02 -0.00 0.04 0.07 -0.01 -0.06 0.02 0.02 -0.00 0.01 0.00 -0.01 -0.00 -0.02 -0.02 -0.02 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.40 0.03 0.13 0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.43 -0.17 0.21 -0.09 0.13 -0.34 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.02 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 0.01 -0.00 -0.13 -0.06 -0.08 0.42 -0.15 0.08 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 0.00 0.01 -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 -0.01 0.00 -0.00 0.00 -0.23 0.09 -0.03 0.00 -0.15 -0.14 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.03 0.28 0.19 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.01 -0.01 -0.01 -0.02 0.01 0.00 0.01 0.01 0.02 0.02 -0.03 -0.02 -0.01 0.01 -0.00 0.00 0.01 -0.01 0.01 -0.01 -0.01 -0.02 -0.01 0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.01 0.01 -0.00 0.01 -0.14 -0.18 -0.24 -0.36 0.05 -0.05 -0.00 0.01 0.01 0.03 -0.00 -0.01 -0.43 0.30 0.12 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.00 0.01 0.00 0.00 -0.12 -0.05 0.25 0.00 -0.01 -0.01 0.01 -0.02 -0.00 -0.02 0.02 0.03 -0.02 0.04 0.00 -0.00 -0.01 -0.01 0.01 -0.04 0.02 0.01 0.00 -0.00 0.04 0.03 -0.16 -0.02 0.02 0.00 -0.07 0.03 0.02 -0.00 0.01 -0.01 0.08 -0.00 -0.08 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.09 0.04 -0.11 -0.00 0.00 0.00 0.04 0.01 0.03 -0.02 -0.01 -0.01 -0.04 -0.01 -0.04 0.02 0.01 -0.01 0.02 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.04 -0.00 -0.03 -0.02 -0.01 -0.08 0.02 0.02 0.07 0.20 0.16 0.34 -0.40 -0.31 -0.15 0.06 -0.01 0.04 -0.01 -0.04 -0.01 -0.05 -0.05 -0.03 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.02 0.01 -0.00 0.00 -0.00 -0.00 0.16 -0.04 -0.11 -0.00 -0.00 0.01 -0.01 -0.00 -0.01 0.06 0.01 -0.01 0.02 -0.02 -0.03 -0.05 0.05 0.16 0.50 0.01 -0.10 -0.03 -0.03 -0.01 0.00 0.00 -0.00 0.02 0.02 0.01 0.01 0.02 -0.00 0.05 0.05 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.02 0.00 0.02 0.01 0.02 -0.03 -0.01 0.01 -0.02 0.00 0.00 0.01 0.01 -0.09 -0.05 0.02 0.02 0.00 -0.00 -0.01 0.06 -0.00 0.04 -0.02 0.01 0.03 -0.01 -0.02 0.01 -0.00 -0.05 -0.01 -0.02 -0.01 0.01 -0.04 -0.02 -0.06 0.00 -0.02 -0.01 0.00 0.01 -0.02 0.05 0.00 -0.02 -0.00 -0.02 0.01 0.01 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.01 0.00 0.01 0.03 0.01 -0.00 -0.04 -0.13 0.00 -0.13 -0.10 0.06 0.04 0.00 0.10 0.07 0.01 0.11 -0.01 0.08 0.05 -0.06 -0.01 0.00 0.02 0.03 0.13 -0.26 -0.08 -0.13 0.02 -0.02 0.13 0.12 -0.02 0.04 0.03 -0.03 -0.01 -0.14 0.12 -0.04 0.05 0.00 0.03 0.00 -0.02 0.01 -0.01 -0.03 0.06 -0.11 0.02 -0.06 -0.03 0.00 0.01 -0.01 0.01 0.02 -0.00 -0.01 -0.04 -0.01 0.01 0.01 0.02 0.01 -0.00 0.01 0.03 -0.02 0.30 0.48 0.14 0.21 0.52 -0.02 -0.05 -0.05 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.02 -0.01 -0.02 -0.00 -0.01 0.03 0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.00 0.08 0.04 -0.03 -0.03 -0.00 -0.00 0.01 -0.05 0.00 -0.04 0.01 -0.01 -0.02 0.00 0.02 -0.00 0.00 0.05 0.00 0.02 0.01 -0.01 0.06 0.03 0.05 -0.02 0.01 0.01 -0.01 -0.01 0.05 -0.06 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.06 0.01 -0.10 -0.09 -0.01 0.11 0.09 -0.07 -0.05 -0.01 -0.11 -0.08 -0.02 -0.12 -0.00 -0.08 -0.06 0.06 0.01 -0.00 -0.01 -0.03 -0.13 0.27 0.08 0.13 -0.02 0.02 -0.13 -0.10 0.04 -0.03 -0.04 0.05 0.02 0.15 -0.10 -0.01 -0.02 0.01 0.03 -0.00 0.04 -0.01 0.10 -0.01 -0.09 0.10 -0.02 0.08 0.02 -0.00 -0.01 0.01 -0.01 -0.01 0.00 -0.04 0.03 0.00 0.01 -0.00 -0.02 -0.01 0.00 0.01 0.03 0.02 0.17 0.44 -0.16 0.37 0.50 0.07 0.02 0.00 0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.03 0.00 0.01 0.00 -0.00 -0.02 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 0.11 0.07 0.02 0.02 -0.00 0.04 0.00 0.00 0.03 -0.01 0.00 0.00 -0.01 -0.04 -0.02 -0.10 -0.00 -0.01 -0.00 -0.10 0.02 0.04 0.02 -0.02 0.03 -0.01 0.00 0.01 0.17 -0.08 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.07 0.03 0.01 -0.10 0.06 -0.03 -0.00 -0.03 0.18 0.10 0.02 0.16 0.12 0.02 0.09 0.00 0.05 0.04 -0.02 -0.01 0.00 -0.06 0.02 0.09 -0.36 -0.09 -0.19 0.00 -0.01 0.12 0.01 -0.08 -0.10 -0.17 0.23 -0.05 0.02 -0.01 0.02 0.10 -0.05 0.03 -0.01 -0.02 0.00 0.27 -0.15 -0.06 0.25 -0.15 -0.11 -0.00 0.02 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.01 0.00 0.01 0.01 -0.00 0.00 0.00 -0.01 0.06 -0.12 0.06 -0.46 0.15 -0.15 0.10 -0.09 -0.09 0.04 0.01 0.01 -0.03 0.01 0.03 -0.11 -0.01 -0.02 -0.00 -0.01 0.01 -0.02 -0.01 0.02 0.00 0.00 -0.01 -0.01 0.11 0.01 0.18 0.11 0.04 0.05 0.04 0.01 -0.02 -0.08 0.04 -0.06 -0.03 0.01 0.01 -0.08 -0.04 -0.12 -0.00 -0.01 0.01 0.07 0.02 0.01 0.04 0.02 -0.04 -0.03 -0.00 0.03 -0.12 0.01 0.04 0.03 0.01 0.02 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.01 -0.00 0.04 0.01 -0.00 0.05 -0.05 0.01 0.18 0.08 0.26 0.13 0.04 0.17 0.15 0.02 0.02 0.06 0.05 0.10 -0.01 -0.10 -0.01 -0.15 0.00 -0.02 -0.32 -0.06 -0.19 -0.03 -0.01 0.05 -0.20 0.03 -0.06 0.19 -0.10 0.09 0.14 -0.13 -0.00 -0.15 0.04 -0.08 -0.07 -0.02 0.02 -0.19 0.15 -0.01 -0.09 0.10 0.19 0.04 0.02 -0.00 -0.02 -0.01 -0.02 -0.01 0.02 -0.11 -0.07 -0.01 0.03 -0.03 -0.01 -0.01 -0.05 0.05 -0.06 0.06 -0.06 0.31 -0.07 0.19 -0.08 0.02 0.02 -0.01 0.01 0.02 -0.10 -0.00 -0.01 0.03 -0.00 -0.03 -0.00 0.01 0.02 0.03 -0.05 0.06 0.01 0.01 -0.03 -0.02 -0.02 -0.03 -0.04 -0.03 -0.01 -0.02 0.15 0.04 -0.11 0.01 -0.01 0.01 -0.07 0.02 0.02 0.02 0.02 0.03 -0.02 -0.04 0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.01 -0.10 -0.02 0.12 0.02 -0.00 -0.01 0.08 0.04 0.07 -0.07 -0.02 -0.05 0.00 0.00 -0.00 0.05 -0.01 0.06 0.03 -0.02 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.09 -0.03 -0.00 -0.10 -0.06 0.01 0.03 0.30 0.17 0.40 -0.13 -0.37 -0.07 0.07 -0.00 0.02 0.09 0.00 0.05 -0.01 -0.01 -0.03 0.04 0.00 0.02 -0.04 0.01 -0.02 -0.03 0.03 0.00 0.03 -0.01 0.02 -0.26 -0.08 0.08 0.03 -0.03 -0.00 0.01 -0.02 -0.03 0.11 -0.03 0.03 -0.06 -0.03 -0.05 -0.02 0.08 -0.45 -0.21 -0.04 0.11 -0.12 -0.00 -0.05 0.01 -0.02 0.01 -0.01 0.02 -0.06 0.02 -0.03 0.02 -0.04 -0.05 -0.08 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 0.03 0.00 0.01 -0.02 0.01 -0.01 -0.00 -0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.09 0.04 0.16 -0.11 -0.02 -0.10 -0.00 0.00 -0.00 0.07 0.06 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 -0.05 -0.01 0.03 0.03 -0.00 -0.04 0.04 0.03 0.03 -0.01 -0.01 -0.03 -0.00 -0.01 -0.09 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.02 -0.01 -0.04 0.06 0.03 0.03 0.01 0.02 -0.02 0.32 -0.13 -0.05 0.08 0.28 0.08 -0.12 0.17 -0.25 0.20 -0.01 0.03 -0.03 -0.00 -0.01 0.27 -0.21 0.12 0.01 -0.09 -0.18 0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.01 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.35 -0.01 -0.12 0.11 0.13 0.23 -0.31 -0.08 -0.16 0.00 0.00 0.00 0.06 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.02 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 0.01 -0.03 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.06 0.01 -0.10 -0.00 -0.00 -0.00 0.03 0.02 0.02 -0.03 -0.00 -0.02 0.05 -0.01 0.07 -0.02 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 -0.02 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.02 0.05 0.04 -0.06 -0.06 -0.03 -0.00 0.00 0.01 -0.02 -0.00 -0.01 0.01 0.00 0.02 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.65 -0.01 -0.25 -0.00 0.00 -0.00 0.00 0.00 0.01 0.03 0.02 0.03 -0.06 0.01 -0.01 0.07 -0.09 0.67 -0.05 -0.01 0.02 -0.05 0.00 -0.02 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.01 -0.02 0.00 0.00 -0.00 0.03 0.02 -0.00 -0.10 0.07 0.04 0.03 -0.01 -0.00 -0.02 0.04 0.02 0.00 -0.02 0.01 0.03 -0.03 0.02 0.09 -0.05 -0.07 -0.01 0.00 0.00 -0.05 0.03 0.02 -0.03 0.03 -0.01 0.02 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.04 -0.00 -0.00 -0.00 -0.00 -0.00 -0.16 -0.11 -0.15 0.20 0.02 0.11 0.02 -0.00 0.02 0.01 -0.00 0.03 -0.05 0.04 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.13 0.15 -0.18 0.05 0.04 -0.16 -0.04 0.05 0.23 0.21 -0.03 0.15 -0.07 -0.14 -0.06 0.12 -0.01 0.07 0.00 -0.09 -0.01 -0.14 -0.10 -0.10 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 -0.34 -0.02 -0.08 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.15 -0.15 -0.22 0.41 -0.10 0.07 0.02 0.01 0.00 -0.09 -0.03 0.05 0.29 -0.01 0.14 0.02 0.02 0.00 -0.01 -0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 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 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.03 -0.00 0.00 -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 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.05 -0.06 0.01 0.02 0.01 -0.01 -0.00 -0.00 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 0.01 0.01 0.01 0.01 0.07 -0.05 -0.03 -0.02 0.09 -0.00 -0.01 -0.00 -0.00 0.06 -0.04 -0.07 0.01 -0.00 0.00 -0.04 0.01 0.04 0.12 -0.07 -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 0.28 0.73 -0.01 -0.17 -0.35 0.07 0.13 0.40 -0.03 -0.04 -0.04 -0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.01 -0.01 0.04 0.01 0.03 0.00 -0.01 0.00 -0.02 -0.02 -0.01 0.00 -0.00 0.00 -0.04 -0.01 -0.01 -0.00 0.00 0.00 0.16 -0.01 0.02 -0.14 0.04 0.06 0.00 -0.00 -0.00 0.04 0.02 -0.07 0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.06 -0.04 -0.05 0.04 0.02 0.03 0.03 -0.04 0.04 0.01 0.02 0.03 0.01 0.04 -0.02 -0.01 -0.01 0.01 0.00 -0.00 -0.03 -0.02 -0.05 0.03 -0.00 0.01 -0.06 -0.02 -0.07 0.10 0.05 0.12 0.24 -0.19 0.10 -0.35 0.24 0.10 -0.24 0.18 0.24 0.01 0.00 0.00 -0.01 -0.02 0.03 -0.11 0.02 -0.10 0.01 -0.00 0.01 -0.02 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.02 0.00 -0.01 0.39 -0.01 0.13 -0.08 -0.01 -0.37 0.25 -0.09 0.16 0.01 0.02 -0.02 0.01 -0.00 0.00 0.00 0.00 0.03 -0.02 -0.02 -0.00 0.03 0.06 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.03 -0.14 0.12 -0.01 0.18 -0.00 -0.05 0.00 0.02 -0.05 0.01 0.02 -0.02 -0.00 -0.15 0.01 -0.06 -0.01 0.02 0.01 -0.03 0.01 0.00 0.02 -0.02 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 0.04 0.02 0.03 -0.04 -0.00 -0.02 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -0.00 -0.00 -0.02 0.00 0.01 0.01 -0.01 -0.01 -0.03 0.04 -0.45 0.19 0.11 0.06 0.05 0.10 0.52 -0.08 -0.02 -0.05 0.06 0.00 0.00 0.06 -0.06 -0.03 -0.00 -0.14 -0.02 -0.34 -0.18 -0.27 0.04 0.01 0.01 -0.08 0.05 -0.03 0.07 -0.03 -0.05 0.09 -0.05 -0.03 0.07 0.02 0.02 0.04 -0.03 0.01 0.02 -0.01 -0.01 0.04 0.00 0.05 -0.09 0.03 -0.01 -0.01 -0.01 0.03 0.01 0.00 -0.02 -0.10 0.01 -0.04 -0.08 0.06 -0.03 0.01 -0.01 0.10 -0.06 0.04 -0.05 -0.02 -0.02 -0.00 0.16 0.01 0.03 0.00 -0.00 -0.00 -0.02 -0.02 0.00 0.01 0.10 0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 0.02 -0.01 0.02 -0.11 -0.09 -0.01 0.04 -0.05 -0.04 0.01 0.04 0.00 0.01 -0.01 0.01 0.10 0.06 -0.04 -0.04 0.01 0.01 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.02 0.09 0.00 0.00 0.00 0.01 0.01 0.01 -0.01 0.00 -0.00 -0.08 -0.01 -0.02 -0.13 0.01 -0.14 -0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.13 0.11 0.01 -0.03 0.04 -0.13 -0.18 0.01 0.29 -0.09 0.08 0.03 0.09 -0.16 -0.02 0.25 0.08 0.36 -0.27 -0.17 -0.15 0.02 -0.08 0.22 -0.03 -0.01 -0.02 0.01 -0.01 0.01 -0.01 0.01 -0.00 -0.01 0.01 0.01 0.29 0.01 0.17 -0.00 -0.00 0.01 -0.02 0.01 0.00 -0.00 0.05 0.04 -0.05 0.03 0.00 -0.09 -0.06 0.30 0.05 0.03 -0.19 -0.04 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.02 0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.07 -0.00 -0.02 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.04 0.05 0.00 0.05 -0.05 -0.02 0.10 0.01 0.05 0.01 0.01 0.02 -0.03 -0.05 -0.01 0.00 -0.05 0.01 -0.01 0.01 0.00 0.01 0.01 0.00 0.03 0.03 -0.01 0.02 0.01 0.01 0.01 -0.01 0.01 -0.00 0.01 0.00 0.01 0.01 -0.05 -0.00 -0.01 -0.00 -0.03 0.02 0.00 -0.03 0.03 0.01 0.04 0.00 0.00 0.06 -0.01 0.07 -0.03 -0.10 -0.09 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.09 0.10 -0.02 0.01 0.03 -0.11 -0.09 0.01 0.14 -0.02 -0.05 -0.04 0.02 0.03 -0.00 0.12 0.03 0.14 -0.09 -0.08 -0.05 -0.02 -0.05 0.06 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.01 -0.00 0.02 -0.02 0.01 -0.01 -0.13 0.01 -0.08 -0.00 0.01 -0.01 0.02 -0.01 -0.00 -0.23 0.56 0.40 -0.35 0.25 0.06 0.04 0.03 -0.17 -0.06 -0.02 0.10 0.03 -0.11 -0.08 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.03 0.04 -0.01 0.10 0.01 0.02 -0.00 0.00 0.00 0.02 0.02 0.00 -0.03 -0.04 0.02 0.03 -0.02 -0.00 0.06 0.00 0.03 -0.04 -0.01 0.03 0.10 0.06 -0.02 0.03 0.03 -0.03 -0.02 -0.04 -0.00 -0.03 0.03 0.00 -0.07 -0.04 0.04 -0.02 -0.01 -0.01 0.01 -0.06 0.01 -0.01 0.08 0.02 -0.02 -0.01 0.07 -0.02 -0.06 -0.03 -0.05 0.00 -0.02 -0.00 0.02 0.01 -0.06 -0.00 -0.01 -0.08 0.01 -0.09 -0.02 -0.06 -0.05 0.01 0.05 0.02 0.01 -0.01 -0.01 -0.06 -0.04 -0.01 0.03 -0.03 -0.03 0.10 0.01 -0.23 0.13 0.02 0.10 -0.06 -0.07 -0.02 -0.14 -0.07 -0.28 0.26 0.13 0.14 -0.04 0.05 -0.21 0.13 -0.10 -0.02 0.00 0.06 -0.02 -0.07 -0.03 0.18 -0.10 0.01 -0.12 0.10 -0.02 0.11 -0.04 0.08 -0.14 0.27 -0.10 -0.02 -0.16 0.32 0.22 -0.13 0.11 0.04 -0.06 -0.03 0.18 0.05 0.02 -0.12 0.11 -0.07 -0.01 -0.11 -0.05 -0.02 -0.00 -0.03 0.06 -0.05 0.05 -0.05 -0.02 0.01 -0.03 -0.05 -0.00 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.02 0.02 -0.01 -0.02 0.01 0.00 -0.04 -0.00 -0.02 0.01 0.01 -0.01 -0.04 -0.03 0.01 -0.02 -0.02 0.01 0.02 0.02 0.01 0.02 -0.02 -0.00 0.03 0.02 -0.02 0.01 0.01 0.01 0.06 -0.11 0.06 -0.03 0.15 0.04 0.01 0.00 -0.03 -0.03 -0.11 -0.06 0.03 -0.00 0.01 -0.00 -0.01 -0.01 0.02 0.00 0.00 0.03 -0.00 0.04 0.01 0.04 0.03 0.01 0.09 0.03 0.01 -0.02 -0.03 0.02 0.02 -0.03 -0.00 0.02 -0.02 -0.06 0.00 0.12 -0.08 -0.00 -0.05 0.03 0.03 0.01 0.09 0.03 0.13 -0.11 -0.07 -0.06 -0.00 -0.03 0.08 0.16 -0.22 -0.08 0.01 0.09 -0.02 -0.14 -0.04 0.33 -0.20 0.04 -0.19 -0.03 0.01 -0.05 -0.07 0.13 -0.24 0.48 -0.17 -0.04 0.10 -0.19 -0.13 0.08 -0.07 -0.02 0.03 0.01 -0.08 -0.02 -0.01 0.05 -0.07 0.05 0.01 -0.19 -0.08 -0.03 -0.00 -0.05 0.10 -0.09 0.09 -0.09 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 0.01 -0.01 -0.01 -0.06 -0.04 -0.06 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.06 0.06 0.02 -0.05 -0.06 -0.07 0.00 0.00 -0.00 0.00 -0.00 0.00 0.12 0.05 0.09 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 0.00 0.02 -0.03 0.01 -0.01 0.02 -0.01 0.00 0.01 0.00 0.02 -0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.17 0.35 0.25 0.08 -0.17 -0.09 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.77 -0.02 0.31 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 0.01 -0.03 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.00 -0.03 -0.00 -0.01 -0.08 0.03 0.13 0.06 -0.06 -0.07 -0.00 -0.02 0.00 0.03 -0.02 -0.01 0.05 -0.02 -0.02 -0.02 0.04 0.03 -0.00 0.00 0.00 -0.03 -0.02 0.07 0.00 0.03 -0.12 0.00 0.00 -0.01 -0.05 -0.02 0.11 0.03 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 0.01 0.02 0.02 0.09 -0.01 -0.06 -0.05 0.02 0.03 -0.07 0.05 -0.06 0.10 0.04 -0.35 -0.14 0.03 0.01 -0.07 0.02 -0.00 0.01 0.01 0.00 0.15 -0.03 -0.02 0.15 -0.07 0.07 -0.15 -0.08 -0.17 0.09 -0.16 -0.13 0.06 0.23 0.05 -0.03 -0.02 -0.04 0.11 -0.07 -0.24 0.01 0.00 -0.01 -0.30 0.19 0.19 -0.05 0.04 0.21 0.05 -0.07 -0.03 -0.03 -0.00 -0.01 0.01 0.00 -0.02 -0.03 -0.01 0.01 -0.05 0.03 0.00 0.19 -0.15 0.03 -0.06 0.01 -0.27 0.20 -0.10 0.16 -0.00 0.01 0.04 -0.00 -0.00 0.00 -0.01 0.01 -0.04 -0.01 0.01 0.00 -0.01 0.02 -0.01 0.01 -0.02 -0.01 -0.03 -0.00 -0.02 -0.09 0.03 0.17 0.08 -0.08 -0.09 -0.00 -0.02 0.00 0.01 -0.03 -0.02 0.06 -0.03 -0.02 -0.03 0.05 0.04 -0.00 0.01 0.01 0.01 0.02 -0.07 0.00 -0.03 0.11 0.01 0.00 -0.01 0.04 0.03 -0.09 0.03 0.01 0.02 -0.02 -0.01 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.03 0.03 -0.08 0.00 0.05 0.04 -0.02 -0.03 -0.06 0.07 -0.02 0.11 0.04 -0.43 -0.17 0.04 0.00 -0.10 0.04 -0.01 0.02 0.01 0.00 0.18 -0.04 -0.02 0.17 -0.08 0.08 -0.17 -0.09 -0.20 -0.12 0.14 0.09 -0.02 -0.19 -0.03 0.04 0.01 0.02 -0.11 0.07 0.22 0.02 0.00 -0.01 0.27 -0.17 -0.15 -0.01 -0.01 -0.16 0.07 -0.08 -0.04 -0.04 0.00 -0.01 0.01 0.00 -0.03 -0.05 -0.01 0.02 -0.07 0.04 -0.00 -0.15 0.13 -0.02 0.06 -0.01 0.22 -0.17 0.08 -0.13 -0.01 -0.01 0.00 -0.07 0.01 -0.11 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 -0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.00 0.00 -0.02 -0.00 0.02 0.01 0.03 0.02 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.02 -0.00 -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 -0.00 0.00 -0.06 -0.01 0.06 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.06 -0.01 0.05 0.14 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.02 -0.03 0.03 0.02 -0.04 -0.05 0.00 0.02 0.14 -0.07 0.03 0.08 0.03 0.04 0.05 0.00 0.03 -0.00 -0.03 -0.00 -0.04 -0.03 -0.01 -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.01 0.01 0.14 -0.01 0.11 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.05 -0.07 0.47 0.78 0.09 -0.14 0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.07 0.05 0.00 -0.05 0.00 -0.07 0.01 0.00 0.01 -0.04 -0.04 -0.00 0.06 0.23 0.00 -0.01 -0.01 -0.02 -0.01 0.00 -0.00 -0.04 -0.17 0.05 0.01 0.08 -0.03 0.02 -0.10 -0.05 -0.13 -0.07 0.00 -0.02 -0.01 0.02 -0.00 -0.06 0.02 0.00 0.02 0.13 -0.02 0.00 -0.03 -0.00 0.00 -0.00 0.03 0.00 -0.04 -0.00 -0.00 0.01 0.01 0.00 0.01 0.02 0.01 0.01 -0.03 -0.00 -0.02 0.06 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.07 -0.05 0.16 -0.11 -0.10 0.06 0.18 0.01 -0.05 -0.53 0.29 -0.04 0.23 -0.21 -0.01 -0.18 -0.02 -0.15 0.04 0.13 0.04 0.14 0.11 0.01 0.16 0.05 0.11 0.00 0.02 -0.01 0.00 0.01 -0.02 0.05 -0.03 -0.03 0.20 0.04 0.01 -0.03 0.02 0.01 0.03 -0.01 -0.01 0.03 -0.02 -0.03 0.05 -0.01 0.01 -0.02 -0.04 0.22 0.09 0.01 0.01 -0.07 0.01 -0.02 0.01 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.04 -0.03 -0.00 -0.02 0.00 -0.04 -0.01 -0.00 -0.00 0.00 -0.04 -0.01 0.08 -0.08 0.00 -0.08 0.12 0.05 0.08 0.02 0.05 -0.01 0.05 0.01 0.02 -0.03 -0.00 -0.04 0.05 -0.05 0.10 0.04 -0.01 -0.07 0.02 0.01 -0.01 0.03 0.00 0.00 -0.01 0.15 0.01 -0.01 0.02 0.00 0.00 -0.00 0.04 0.01 -0.06 0.00 0.00 -0.00 -0.05 -0.01 -0.03 0.01 -0.01 0.00 -0.01 0.01 -0.04 0.03 0.00 0.01 -0.02 -0.07 -0.06 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.22 -0.17 -0.07 0.07 0.04 -0.04 -0.11 0.00 -0.05 -0.33 0.28 0.04 0.18 -0.32 0.01 0.09 -0.00 0.03 0.03 -0.05 0.01 -0.08 -0.04 -0.06 -0.13 -0.06 -0.10 -0.00 0.00 0.01 0.02 -0.02 0.00 -0.07 0.04 0.03 0.30 0.03 0.00 0.04 -0.03 -0.01 -0.05 0.03 0.02 -0.10 0.08 0.04 0.32 -0.22 -0.04 -0.00 -0.03 0.17 -0.21 -0.02 0.05 0.18 -0.11 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.02 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.00 -0.00 0.01 -0.04 0.00 -0.01 0.02 0.01 0.01 0.01 0.01 0.02 0.03 0.00 -0.00 -0.02 0.00 -0.01 0.02 0.00 -0.06 -0.04 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.01 -0.00 0.01 -0.00 0.09 -0.05 -0.00 -0.08 0.01 -0.01 0.00 -0.01 -0.01 -0.03 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.05 0.01 0.00 -0.01 -0.00 0.07 0.08 0.06 0.04 0.03 0.00 -0.06 -0.00 -0.01 0.00 0.01 0.01 0.02 -0.03 0.01 0.05 0.00 0.04 -0.01 -0.04 -0.01 -0.03 -0.03 -0.00 0.18 0.22 0.21 -0.02 -0.11 0.00 -0.35 0.25 0.08 0.39 -0.21 -0.05 0.05 0.00 0.00 -0.38 0.20 0.17 0.35 -0.17 -0.15 -0.01 0.01 -0.00 0.07 -0.05 -0.02 0.01 -0.00 0.03 -0.04 -0.00 0.01 0.01 -0.01 -0.00 -0.04 -0.06 0.01 -0.01 -0.04 0.03 -0.02 0.01 -0.02 -0.00 -0.01 -0.00 -0.01 0.01 -0.06 0.00 -0.00 0.00 0.04 0.05 0.00 -0.08 -0.11 0.05 0.12 -0.13 -0.04 -0.08 -0.05 -0.08 0.03 0.04 -0.03 -0.01 -0.00 0.01 -0.05 0.05 -0.09 -0.00 0.01 0.00 -0.05 0.05 0.01 0.00 0.01 -0.01 0.06 -0.04 0.23 0.00 0.00 0.00 0.00 -0.00 -0.00 0.08 0.01 -0.02 0.00 -0.00 -0.00 0.02 -0.00 0.01 0.01 0.04 0.03 -0.06 0.01 -0.08 0.03 0.00 -0.00 0.01 0.07 0.06 0.00 0.00 0.00 0.00 -0.00 -0.00 0.14 0.17 -0.06 0.01 0.02 0.06 -0.05 0.00 -0.05 -0.03 0.12 0.10 -0.08 -0.24 -0.05 0.03 0.01 0.04 -0.02 -0.01 -0.01 -0.02 -0.02 0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 -0.00 0.00 0.17 0.01 0.01 -0.01 0.01 0.01 0.01 -0.00 -0.00 0.07 -0.14 -0.08 -0.54 0.43 0.11 -0.06 -0.04 0.22 -0.20 -0.02 0.04 -0.08 0.09 0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.09 -0.08 0.02 0.00 0.00 -0.01 -0.03 -0.01 -0.01 -0.01 -0.01 -0.00 -0.01 0.10 -0.01 0.02 -0.03 -0.02 -0.02 -0.02 -0.02 -0.07 -0.08 0.01 0.02 0.06 -0.01 0.01 -0.04 -0.01 0.24 0.15 -0.01 -0.01 0.01 0.01 -0.00 -0.05 0.02 0.03 0.01 0.00 0.02 0.05 0.02 0.01 -0.06 0.00 0.03 -0.00 0.03 0.00 -0.02 -0.02 0.00 0.01 0.01 0.02 0.01 0.01 -0.03 -0.00 -0.00 -0.02 -0.00 0.00 0.00 0.01 0.01 -0.00 0.03 0.01 0.01 -0.01 -0.00 -0.29 -0.31 -0.20 -0.10 -0.08 -0.08 0.15 0.02 0.03 -0.05 -0.01 -0.02 -0.07 0.06 -0.03 -0.14 -0.02 -0.12 0.02 0.10 0.03 0.08 0.06 -0.03 -0.28 0.01 -0.13 -0.01 -0.07 0.03 -0.29 0.17 0.11 0.16 -0.07 0.04 -0.20 -0.01 -0.02 -0.25 0.12 0.12 0.16 -0.08 -0.07 -0.00 -0.02 0.02 -0.15 0.13 0.04 -0.03 0.01 -0.09 0.16 0.02 -0.03 0.03 0.01 0.02 -0.04 -0.02 0.00 -0.00 -0.02 0.03 -0.02 0.01 -0.02 -0.01 -0.01 0.00 -0.01 -0.01 0.05 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.02 0.01 0.02 -0.03 -0.01 -0.02 -0.02 -0.02 -0.01 -0.02 0.00 0.00 0.02 0.00 0.07 0.01 0.01 0.04 0.03 -0.00 -0.02 0.01 0.01 -0.00 -0.02 0.00 -0.13 -0.01 -0.07 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.14 0.01 -0.11 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.01 0.01 0.10 0.00 0.04 0.06 0.01 -0.01 0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.03 -0.03 -0.06 -0.04 -0.02 -0.03 0.05 0.01 0.02 0.18 -0.03 0.09 0.28 -0.13 0.05 -0.04 -0.00 -0.03 0.00 0.04 0.00 0.03 0.03 0.00 -0.06 -0.01 -0.03 0.00 -0.01 0.01 -0.03 0.02 0.01 0.00 -0.00 0.01 0.65 0.05 0.08 -0.02 0.01 0.01 0.01 -0.00 -0.01 0.01 -0.04 -0.02 -0.14 0.12 0.04 0.13 -0.03 0.25 -0.44 -0.06 0.10 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 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.03 0.00 -0.07 0.00 0.00 -0.03 -0.04 -0.03 -0.00 0.06 0.04 -0.01 -0.01 -0.00 -0.01 0.03 -0.01 -0.00 -0.01 -0.02 0.01 0.02 0.00 0.08 -0.04 -0.02 0.01 -0.03 0.00 0.01 -0.02 0.08 -0.00 -0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.03 -0.02 0.00 -0.04 -0.03 -0.03 -0.02 0.01 -0.04 0.03 0.00 -0.00 0.03 0.01 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.08 0.10 -0.07 -0.09 -0.05 -0.11 0.10 0.03 0.16 0.25 -0.14 0.06 -0.33 0.18 -0.06 -0.10 -0.00 -0.05 -0.01 0.05 0.00 0.07 0.04 0.03 -0.06 -0.01 -0.03 0.02 0.01 0.01 -0.03 0.01 0.02 -0.01 0.01 0.02 0.17 0.00 0.04 -0.02 0.01 0.01 -0.01 0.01 0.01 -0.05 0.24 0.19 0.40 -0.35 -0.10 -0.01 -0.03 0.20 -0.22 -0.03 0.04 -0.30 0.06 -0.09 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.02 -0.00 0.01 0.02 -0.00 -0.05 -0.09 -0.09 -0.03 0.01 -0.00 -0.02 -0.04 -0.07 0.03 -0.06 -0.02 0.00 -0.00 -0.00 0.01 0.05 0.01 -0.03 0.02 0.03 -0.04 0.07 0.01 -0.00 0.00 -0.02 -0.00 0.00 0.01 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 0.02 0.01 0.02 0.05 0.02 0.03 0.01 -0.00 0.01 -0.00 -0.00 0.00 0.03 0.01 0.02 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.03 -0.06 0.52 0.27 0.13 0.41 -0.15 -0.05 -0.27 -0.02 0.01 -0.01 0.08 -0.05 0.01 0.20 -0.02 0.02 0.10 -0.12 0.05 -0.18 -0.08 -0.11 -0.10 -0.03 -0.06 0.06 0.03 0.04 -0.07 0.03 0.05 -0.01 0.01 0.02 -0.02 0.01 -0.01 -0.02 0.01 0.01 -0.03 0.02 0.02 -0.03 0.19 0.14 0.20 -0.09 0.02 0.00 0.00 -0.03 0.02 0.00 -0.00 -0.23 0.05 -0.06 0.01 -0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 -0.01 0.04 0.03 -0.05 0.00 -0.00 0.00 0.00 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.02 0.03 0.03 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.02 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.06 0.01 0.04 0.07 -0.05 -0.02 0.00 -0.00 0.00 0.04 -0.03 -0.05 -0.01 -0.01 -0.01 -0.02 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.05 0.02 0.04 0.02 -0.01 -0.03 0.06 0.07 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 0.01 -0.34 -0.08 -0.21 0.47 0.23 0.25 -0.38 0.18 0.25 -0.11 0.09 0.14 -0.01 0.00 -0.00 -0.12 0.06 0.04 -0.23 0.14 0.15 0.01 -0.06 -0.05 -0.05 0.02 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.06 -0.01 0.02 0.07 -0.04 0.11 0.02 -0.01 0.07 -0.11 0.05 -0.09 -0.01 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.01 -0.02 -0.00 -0.02 0.05 -0.01 0.02 0.09 0.07 0.03 -0.01 0.00 -0.03 -0.05 -0.05 0.02 -0.03 -0.03 0.01 -0.02 -0.00 0.01 0.04 0.00 0.06 -0.04 -0.03 -0.02 0.03 0.02 0.01 -0.01 0.05 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.02 -0.03 -0.02 -0.02 0.00 -0.03 0.03 0.00 -0.00 -0.04 -0.02 -0.04 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.09 0.02 0.43 0.15 0.07 0.25 -0.01 -0.01 -0.02 0.20 -0.14 0.02 -0.38 0.28 -0.07 0.08 -0.02 -0.03 0.08 -0.06 0.04 -0.08 -0.03 -0.07 0.01 -0.00 0.00 -0.06 -0.02 -0.03 0.02 -0.01 -0.01 0.01 -0.01 -0.02 0.10 0.01 0.03 0.02 -0.01 -0.01 0.01 -0.01 -0.00 0.07 -0.22 -0.17 -0.23 0.13 0.00 -0.01 -0.02 0.16 -0.18 -0.03 0.03 0.32 -0.08 0.09 -0.01 0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.02 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.01 -0.01 0.00 -0.03 -0.03 0.04 0.16 0.04 0.09 0.01 0.02 0.02 -0.06 -0.03 -0.06 0.02 -0.00 -0.05 0.00 0.01 -0.00 0.03 0.07 0.01 -0.01 0.01 -0.02 -0.02 -0.02 0.03 -0.01 0.01 -0.03 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 -0.02 -0.09 -0.08 -0.14 0.00 -0.06 0.02 -0.00 0.03 -0.02 -0.00 0.00 0.01 0.04 0.04 0.01 -0.00 -0.01 -0.00 0.00 0.01 0.31 0.32 0.38 0.04 0.01 0.04 0.11 0.06 0.30 -0.20 0.15 -0.00 0.33 -0.24 0.05 -0.01 -0.04 -0.08 0.08 0.04 0.06 0.04 0.06 -0.05 -0.06 -0.02 -0.04 -0.07 -0.03 -0.03 0.04 -0.02 -0.04 -0.01 0.01 0.02 -0.06 0.00 -0.03 -0.02 0.01 0.02 0.05 -0.03 -0.04 -0.07 0.05 0.01 0.09 -0.18 -0.10 0.01 0.02 -0.12 0.14 0.02 -0.03 -0.23 0.08 -0.05 -0.04 0.02 -0.03 -0.00 -0.00 -0.01 0.02 -0.01 0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.03 -0.00 0.00 -0.06 0.01 -0.12 -0.02 -0.06 -0.00 0.00 -0.00 -0.04 0.03 -0.04 0.01 0.00 -0.05 -0.01 0.02 -0.00 -0.00 0.04 0.01 0.02 -0.02 0.01 -0.01 -0.05 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 0.00 -0.00 -0.00 0.02 0.07 0.06 0.09 -0.02 0.03 0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.02 -0.03 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.24 0.29 0.37 -0.06 -0.05 -0.26 0.19 0.10 0.61 -0.08 0.06 -0.00 0.12 -0.10 0.02 -0.10 -0.04 -0.10 0.06 0.09 0.05 0.12 0.10 -0.00 -0.01 -0.01 -0.01 -0.04 -0.00 -0.02 -0.03 0.02 0.02 0.00 -0.00 -0.01 -0.03 -0.00 -0.01 0.01 -0.01 -0.01 -0.04 0.02 0.03 0.07 -0.05 -0.03 -0.06 0.11 0.05 0.00 0.01 -0.05 0.06 0.01 -0.01 0.21 -0.06 0.05 -0.01 0.01 -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 0.01 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 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.03 0.01 -0.04 -0.05 0.01 -0.00 -0.00 0.00 0.02 0.05 0.00 0.00 0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.02 0.00 -0.00 -0.00 -0.01 0.01 0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.21 -0.09 -0.14 0.15 0.02 0.07 0.34 -0.16 -0.29 -0.27 0.17 0.28 -0.00 0.00 -0.00 -0.32 0.14 0.29 0.36 -0.20 -0.31 0.01 -0.01 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 -0.01 0.01 0.02 -0.06 0.03 -0.01 -0.01 -0.00 -0.01 0.01 -0.01 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.02 0.00 -0.00 0.00 0.00 -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 -0.04 0.02 0.08 0.01 -0.00 -0.11 -0.01 -0.01 0.02 0.00 0.00 -0.00 0.01 0.00 0.02 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.14 0.01 0.06 -0.16 -0.04 -0.08 0.09 -0.03 -0.08 -0.01 -0.01 -0.06 -0.00 0.00 -0.00 -0.01 -0.03 0.08 -0.01 0.03 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 0.00 -0.00 0.60 -0.33 0.48 0.00 0.00 -0.04 -0.29 0.17 -0.28 0.01 0.00 -0.02 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 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 0.02 0.07 0.00 0.00 -0.00 -0.09 0.03 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 0.02 -0.02 -0.01 -0.01 0.01 -0.02 0.01 0.01 -0.00 0.00 0.00 0.01 0.01 0.00 0.02 -0.00 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.28 0.01 -0.12 0.50 -0.00 0.23 0.09 -0.06 -0.00 0.40 -0.23 -0.16 0.00 -0.00 0.00 0.34 -0.18 -0.22 0.25 -0.13 -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 0.01 -0.00 0.00 0.18 -0.09 0.08 -0.01 0.01 -0.02 0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.02 -0.05 -0.00 0.09 0.03 -0.04 0.02 0.03 0.02 -0.01 -0.07 -0.06 0.03 0.08 0.00 -0.01 -0.04 -0.05 -0.02 -0.01 0.01 -0.03 -0.04 -0.00 -0.07 0.06 0.02 -0.01 -0.02 0.01 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.00 -0.00 -0.00 -0.04 -0.05 -0.06 -0.01 0.08 0.05 -0.02 0.00 -0.03 0.02 0.00 -0.00 0.08 0.00 0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.32 -0.33 0.35 0.03 0.02 -0.15 0.13 0.06 0.52 0.20 -0.17 -0.01 -0.17 0.16 -0.02 -0.01 -0.03 -0.04 0.06 0.03 0.04 0.06 0.06 0.01 0.04 0.01 0.02 0.08 0.02 0.04 0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.02 -0.01 0.01 0.00 -0.00 0.00 -0.00 -0.10 0.14 0.06 -0.00 0.08 0.06 -0.02 -0.02 0.09 -0.12 -0.02 0.02 -0.25 0.04 -0.08 -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 0.00 -0.00 0.00 0.01 0.00 -0.03 0.04 0.02 0.02 -0.02 -0.01 0.00 0.04 0.03 0.06 0.02 0.05 -0.04 -0.01 -0.10 -0.08 0.02 -0.03 -0.01 -0.03 -0.00 0.02 -0.02 -0.01 -0.03 -0.00 0.02 -0.01 -0.02 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 0.01 -0.00 0.00 -0.00 -0.00 0.02 0.02 0.02 -0.01 -0.04 -0.03 -0.00 0.00 -0.01 -0.01 -0.00 0.01 -0.04 0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.20 -0.24 -0.19 0.15 0.10 0.46 0.14 0.02 0.30 0.33 -0.20 0.08 0.41 -0.24 0.05 0.12 -0.05 0.01 0.12 0.04 0.06 0.06 0.10 -0.02 0.03 0.00 0.01 0.02 0.01 0.01 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.06 -0.00 -0.03 -0.01 0.00 0.01 -0.00 0.00 -0.00 0.05 -0.07 -0.03 0.01 -0.05 -0.04 -0.00 0.00 -0.02 0.03 0.01 0.01 0.10 -0.01 0.04 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.05 -0.01 -0.04 0.02 0.01 -0.00 -0.03 -0.03 0.02 -0.01 0.05 -0.05 -0.00 -0.10 0.08 -0.02 0.02 0.01 0.00 -0.00 0.02 0.00 -0.00 -0.02 0.00 0.02 0.00 0.02 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.04 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 -0.01 0.02 0.03 0.03 0.01 -0.00 0.03 -0.00 0.00 -0.01 0.04 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.12 0.16 -0.41 0.15 0.10 0.53 0.14 0.01 0.22 -0.36 0.23 -0.07 -0.33 0.15 -0.04 0.09 -0.04 -0.01 0.09 0.02 0.06 0.02 0.06 -0.04 -0.03 -0.00 -0.01 -0.04 -0.01 -0.02 -0.01 0.01 0.00 0.01 -0.00 -0.00 0.06 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.05 0.07 0.05 -0.02 0.06 0.03 0.01 0.00 -0.03 0.03 0.00 -0.02 -0.08 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 0.02 0.00 -0.01 0.03 0.01 -0.11 0.12 0.05 -0.00 -0.10 -0.08 -0.04 -0.07 0.01 0.01 0.02 0.01 -0.10 0.03 -0.02 0.01 0.02 0.00 0.10 -0.10 -0.04 0.01 0.01 0.01 -0.01 -0.02 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.05 0.00 0.01 -0.01 0.00 0.00 -0.04 -0.03 -0.05 0.03 0.07 0.07 -0.01 0.00 -0.03 -0.00 -0.00 0.02 0.13 -0.03 0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.27 0.30 -0.20 -0.03 -0.03 0.09 -0.07 -0.01 -0.21 0.36 -0.22 0.10 0.42 -0.17 0.05 -0.02 0.01 -0.03 -0.07 -0.02 -0.02 -0.03 -0.03 -0.05 -0.07 -0.00 -0.03 -0.07 -0.00 -0.04 -0.02 0.01 0.00 0.00 -0.00 -0.00 -0.08 -0.01 -0.02 0.01 -0.01 -0.00 0.02 -0.00 0.00 -0.13 0.19 0.11 -0.09 0.19 0.10 -0.01 -0.00 0.03 -0.01 -0.00 0.02 -0.22 0.01 -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 0.03 0.01 -0.05 0.00 0.00 -0.00 0.00 0.01 0.00 -0.04 0.02 0.01 -0.02 0.03 0.01 -0.00 -0.02 -0.01 0.02 0.01 -0.01 0.00 -0.00 0.01 -0.02 0.00 -0.05 -0.00 -0.00 0.00 0.04 -0.03 -0.01 0.01 0.00 0.00 0.02 -0.03 0.17 -0.01 0.00 -0.01 -0.01 0.01 0.01 -0.08 0.02 -0.14 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.01 0.09 -0.02 0.19 -0.13 -0.00 -0.04 0.02 -0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.13 -0.17 0.12 -0.01 -0.01 -0.06 -0.01 -0.00 -0.00 0.19 -0.07 0.09 -0.14 0.03 -0.05 -0.04 0.01 -0.03 -0.04 -0.02 -0.01 -0.02 -0.03 -0.01 0.07 0.00 0.03 0.08 0.00 0.04 0.04 -0.02 -0.02 0.01 -0.01 -0.01 0.31 0.04 -0.06 -0.03 0.02 0.01 -0.04 0.01 0.01 -0.02 0.04 0.02 -0.03 0.04 0.01 0.08 0.09 -0.51 0.53 0.08 -0.18 -0.04 0.00 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.02 0.01 -0.00 0.00 -0.02 -0.03 -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 0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.03 0.03 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.05 -0.00 -0.04 -0.09 0.07 0.06 0.01 -0.00 0.01 0.12 -0.07 -0.04 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.04 0.02 0.01 0.01 -0.01 -0.00 0.03 0.03 -0.03 0.00 -0.00 0.03 0.00 0.00 -0.00 -0.03 0.01 -0.01 0.02 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 -0.02 0.30 0.02 0.11 0.41 -0.05 0.20 0.35 -0.23 -0.12 0.27 -0.13 -0.13 -0.03 -0.00 0.00 -0.28 0.26 0.06 -0.38 0.10 0.07 -0.00 0.01 0.01 -0.01 0.01 0.00 -0.01 -0.01 0.04 -0.04 -0.01 0.01 -0.01 0.00 -0.00 -0.06 0.03 -0.00 0.01 -0.01 0.14 0.04 -0.02 0.02 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 0.01 0.03 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.01 -0.09 -0.02 -0.09 0.00 -0.00 0.00 0.04 -0.01 0.01 -0.03 0.01 0.01 -0.00 0.00 -0.00 0.02 -0.02 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.02 -0.03 0.04 -0.03 -0.02 -0.10 -0.02 -0.01 -0.08 -0.02 0.02 0.00 -0.02 0.00 -0.01 0.30 -0.06 0.39 0.51 0.08 0.11 0.22 0.22 0.45 -0.25 0.01 -0.07 -0.13 0.01 -0.08 0.02 -0.02 -0.02 0.14 -0.07 -0.05 0.01 -0.00 -0.00 -0.05 0.04 0.02 -0.07 0.02 0.03 -0.01 0.01 0.01 -0.01 0.01 0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.01 -0.01 0.00 -0.01 -0.02 -0.04 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 -0.02 -0.00 0.01 -0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.01 0.01 0.01 0.01 -0.00 -0.00 0.04 0.03 0.01 0.02 -0.01 -0.01 -0.04 -0.01 -0.04 -0.00 0.00 -0.01 -0.11 0.02 -0.02 0.08 -0.02 -0.02 0.00 -0.00 0.00 -0.05 0.04 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.03 -0.01 0.00 -0.04 -0.04 0.03 -0.00 0.01 -0.01 0.00 0.13 -0.03 0.16 0.22 0.04 0.05 0.10 0.10 0.19 0.63 -0.02 0.16 0.33 -0.05 0.21 -0.03 0.04 0.05 -0.33 0.17 0.12 -0.01 -0.00 0.00 0.13 -0.10 -0.04 0.16 -0.05 -0.06 -0.01 0.02 0.01 -0.01 0.02 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.00 -0.02 0.00 -0.01 0.02 -0.01 -0.00 -0.00 0.00 -0.01 0.02 -0.01 0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 -0.02 -0.05 -0.00 0.19 0.00 -0.06 0.04 -0.06 -0.02 0.02 0.01 0.01 -0.09 -0.05 0.05 0.00 0.01 -0.02 -0.08 0.01 0.01 0.02 0.02 -0.00 -0.11 0.09 0.04 -0.02 -0.00 -0.01 0.02 -0.01 0.05 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.02 -0.00 0.00 -0.00 -0.01 0.03 0.02 -0.02 0.02 0.00 0.01 -0.00 0.03 -0.02 0.00 -0.02 -0.03 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.40 0.52 -0.30 -0.02 -0.04 0.10 -0.05 0.03 0.00 0.40 -0.32 -0.01 -0.10 0.13 -0.01 0.08 -0.02 0.06 0.09 0.03 0.02 0.05 0.06 0.05 0.05 -0.01 -0.00 0.02 -0.02 0.02 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.03 -0.10 -0.06 0.12 -0.09 -0.01 0.00 0.01 -0.08 0.05 0.01 -0.03 0.08 -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 0.01 0.00 0.01 0.01 -0.01 -0.03 -0.00 0.00 -0.00 0.01 -0.01 0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.07 0.04 -0.06 -0.00 0.00 -0.03 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.10 -0.01 -0.04 -0.07 -0.06 0.10 0.02 0.09 0.12 -0.00 -0.00 -0.00 0.08 0.19 -0.23 -0.10 -0.17 -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 0.00 -0.00 -0.00 0.24 -0.13 0.13 0.02 -0.03 0.60 0.43 -0.24 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 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.02 0.00 -0.00 0.00 -0.00 0.00 -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 -0.03 0.02 -0.03 -0.01 0.01 -0.02 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 0.03 0.02 0.03 0.00 0.03 0.08 -0.10 -0.05 -0.06 -0.12 0.00 0.00 0.00 -0.01 -0.44 0.42 0.34 0.24 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 0.04 -0.03 0.02 0.01 -0.01 0.33 0.26 -0.14 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 0.01 -0.02 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.04 -0.01 0.01 -0.03 -0.04 -0.03 0.00 0.00 0.00 -0.00 0.01 0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 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 0.02 0.03 -0.01 0.19 0.28 -0.11 0.33 -0.15 -0.06 -0.00 0.22 0.51 0.27 0.47 -0.07 -0.18 0.08 0.02 0.13 -0.04 0.03 -0.11 -0.16 0.14 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.01 0.01 0.00 0.00 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -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 -0.02 0.07 0.00 -0.00 0.00 0.01 -0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.07 0.04 0.06 0.04 0.11 -0.00 0.01 0.50 -0.44 -0.41 -0.24 -0.49 -0.00 -0.00 0.00 0.00 0.13 -0.11 -0.10 -0.07 -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 0.02 -0.01 0.01 0.00 -0.00 0.04 0.03 -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 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.03 -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.02 0.03 0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.04 -0.04 -0.03 -0.07 -0.00 -0.05 -0.01 0.12 0.26 0.11 0.27 -0.04 0.47 -0.20 -0.04 -0.33 0.11 -0.07 0.28 0.41 -0.35 -0.04 0.09 0.14 0.02 0.16 -0.04 0.00 -0.02 0.01 0.01 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -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 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.03 0.09 0.09 -0.00 0.05 -0.05 -0.03 0.01 -0.02 -0.04 -0.03 -0.04 0.00 -0.12 0.14 0.56 -0.04 0.67 0.00 -0.12 -0.11 -0.37 -0.01 0.02 0.03 0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -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 -0.00 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 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.00 0.02 0.01 0.02 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.00 0.00 0.01 -0.07 -0.03 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 0.01 0.01 0.03 0.00 0.01 0.00 -0.03 -0.06 -0.03 -0.06 0.01 -0.12 0.05 -0.02 0.09 -0.06 0.02 -0.07 -0.10 0.11 -0.16 0.34 0.57 0.11 0.64 -0.14 0.01 -0.08 0.05 0.02 0.06 0.09 0.00 -0.00 0.00 0.00 0.00 -0.00 0.02 -0.02 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -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 0.01 0.00 -0.07 0.00 0.03 0.07 -0.10 -0.04 0.08 -0.10 -0.04 0.02 0.00 -0.01 -0.00 0.00 0.00 0.02 0.00 -0.00 -0.00 0.00 -0.00 0.07 -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 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.14 0.19 0.09 -0.16 0.22 0.09 0.01 0.00 -0.01 -0.01 -0.00 0.01 0.08 -0.11 -0.05 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.06 0.03 0.01 0.02 -0.01 0.02 -0.01 -0.01 -0.04 0.03 -0.02 0.01 -0.07 0.01 0.01 -0.01 -0.02 -0.01 -0.02 -0.00 0.01 0.01 0.00 0.00 0.01 0.02 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.05 -0.48 -0.37 0.53 -0.29 0.02 0.01 -0.00 0.01 0.03 0.00 0.01 0.09 -0.14 -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 0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.06 -0.01 0.04 0.01 0.02 0.02 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 0.02 0.03 -0.02 0.30 0.47 -0.27 0.49 -0.25 -0.16 0.02 -0.13 -0.27 -0.14 -0.28 0.04 0.15 -0.08 -0.10 -0.10 -0.07 -0.02 0.11 0.14 -0.04 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 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 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 0.01 -0.05 -0.00 -0.00 0.00 -0.00 -0.01 -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 0.08 0.01 0.01 -0.00 0.00 -0.00 -0.01 0.02 0.01 -0.00 -0.00 0.00 -0.23 -0.02 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.07 0.01 -0.01 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.18 0.06 -0.27 -0.23 -0.07 0.28 -0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.03 -0.01 0.02 0.03 -0.02 0.02 -0.01 -0.00 0.10 -0.03 -0.02 -0.24 0.05 -0.01 0.03 -0.01 -0.00 -0.01 0.01 -0.00 0.02 0.03 -0.02 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.02 0.02 0.01 0.01 0.02 0.12 0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 0.02 -0.02 0.01 0.00 0.25 -0.02 0.26 0.65 0.03 0.18 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.03 -0.00 0.02 -0.00 -0.00 0.06 0.01 0.03 -0.11 0.18 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 -0.02 0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.23 0.16 0.02 0.11 -0.20 -0.10 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.28 -0.17 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.00 0.00 0.01 -0.01 0.01 -0.00 -0.00 0.02 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.15 -0.25 -0.28 -0.35 0.12 -0.06 0.00 -0.00 0.00 0.01 0.00 0.00 -0.53 -0.09 -0.32 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.01 0.00 -0.01 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.13 -0.01 -0.02 0.00 -0.00 0.01 0.00 -0.03 -0.01 0.00 0.00 -0.00 0.48 0.05 -0.06 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.38 -0.05 0.10 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.12 0.04 -0.18 -0.13 -0.03 0.11 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 0.01 -0.00 0.00 -0.00 -0.15 0.01 -0.03 0.23 -0.05 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.37 -0.03 0.35 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.16 -0.04 0.31 0.18 0.00 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 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.02 -0.23 -0.40 -0.02 -0.13 -0.07 0.05 -0.07 -0.02 -0.02 -0.01 0.01 0.00 -0.02 -0.02 -0.01 0.00 0.01 0.01 -0.01 0.04 -0.02 -0.00 -0.01 0.03 0.48 0.63 0.01 0.00 0.00 -0.00 0.03 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.04 -0.04 -0.01 0.05 -0.01 0.02 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.03 0.02 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.01 0.02 0.01 0.01 -0.00 0.02 -0.02 0.03 -0.02 -0.11 0.08 -0.01 -0.04 0.16 -0.23 0.05 0.00 0.00 0.02 -0.01 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 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 -0.00 0.02 0.08 0.07 -0.02 0.06 0.04 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.03 0.01 -0.01 0.00 -0.00 -0.01 0.00 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 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 -0.01 0.01 -0.01 0.01 0.00 0.00 -0.00 -0.04 0.02 -0.03 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.24 -0.14 0.30 -0.18 0.11 -0.30 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.03 -0.01 0.01 -0.01 0.02 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 -0.11 0.13 -0.05 -0.17 0.02 -0.06 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.36 0.20 -0.02 -0.20 0.10 0.37 0.46 -0.25 -0.01 0.00 0.02 -0.05 0.00 -0.00 -0.00 -0.02 0.10 -0.49 0.01 0.01 -0.00 0.02 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.03 -0.01 -0.06 -0.01 -0.00 -0.01 0.01 -0.00 0.00 0.05 -0.15 0.77 -0.03 -0.01 0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.03 0.01 0.04 -0.00 -0.01 -0.01 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.05 -0.01 -0.00 -0.00 -0.01 0.01 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 -0.10 -0.11 -0.21 -0.13 -0.13 0.02 -0.06 0.06 -0.01 -0.03 -0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 -0.00 0.01 -0.03 -0.05 0.00 -0.01 -0.00 0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 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 0.06 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 -0.01 -0.06 0.04 -0.00 -0.00 0.00 -0.21 -0.21 -0.18 0.14 0.78 -0.48 -0.00 -0.00 -0.00 -0.00 -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 0.05 -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 -0.05 -0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.02 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.17 0.49 -0.11 -0.15 -0.02 0.47 0.51 -0.45 -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 0.01 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.03 -0.00 -0.00 0.00 -0.04 -0.06 -0.02 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 0.02 -0.01 -0.02 0.01 0.04 -0.32 -0.28 -0.29 0.03 0.10 -0.06 0.00 0.00 -0.00 0.49 0.44 0.44 0.03 0.25 -0.17 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.02 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.03 -0.01 -0.05 -0.00 -0.00 0.00 -0.03 -0.03 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 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 -0.02 0.01 0.03 -0.01 -0.07 0.46 0.42 0.42 -0.09 -0.35 0.21 0.00 0.00 -0.00 0.30 0.27 0.27 0.01 0.11 -0.08 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.06 0.00 0.02 -0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.02 -0.01 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.18 0.16 0.02 0.58 -0.49 -0.10 0.14 0.43 -0.10 0.04 0.06 -0.03 -0.02 0.02 0.19 0.02 0.04 -0.01 -0.07 -0.01 0.22 -0.13 0.11 0.02 0.00 0.02 -0.01 -0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.06 -0.01 0.01 0.03 -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 0.01 -0.01 -0.00 -0.02 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.12 0.58 -0.36 -0.25 0.12 0.52 -0.06 -0.05 -0.06 -0.08 -0.33 0.20 -0.00 0.00 0.00 -0.03 -0.03 -0.03 -0.00 -0.03 0.02 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -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 0.02 -0.02 -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 0.02 -0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.25 0.23 0.03 -0.00 0.01 -0.00 -0.15 -0.42 0.11 -0.02 -0.02 0.01 0.00 -0.01 -0.06 0.22 0.57 -0.12 -0.02 -0.02 0.09 -0.40 0.33 0.07 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 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -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 -0.03 -0.06 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 -0.09 0.08 0.02 -0.05 -0.15 0.04 0.21 0.31 -0.16 -0.07 0.10 0.87 0.01 0.04 -0.00 0.03 0.00 -0.09 0.03 -0.02 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 0.05 0.01 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.03 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.64 -0.58 -0.07 0.02 -0.02 -0.01 0.04 0.10 -0.02 0.01 0.01 -0.01 -0.00 0.00 0.03 0.08 0.20 -0.05 -0.07 -0.02 0.23 -0.26 0.22 0.04 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 -0.02 -0.03 -0.07 0.01 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 0.03 0.16 -0.10 -0.17 0.08 0.35 0.25 0.21 0.23 0.16 0.66 -0.41 0.00 0.00 -0.00 0.05 0.05 0.05 0.01 0.08 -0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -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 0.01 -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 0.00 0.04 0.02 -0.07 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.13 0.11 0.02 -0.21 0.18 0.04 -0.03 -0.09 0.02 0.02 0.02 -0.01 -0.00 0.01 0.05 -0.15 -0.42 0.08 -0.22 -0.02 0.75 -0.16 0.15 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 -0.01 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 0.00 -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 0.03 -0.01 -0.06 -0.02 0.01 -0.01 0.07 -0.06 -0.01 0.19 -0.15 -0.04 -0.11 -0.30 0.08 -0.01 -0.02 0.01 0.00 -0.00 -0.01 -0.04 -0.11 0.02 -0.01 0.00 0.02 0.07 -0.05 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 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 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.34 0.16 0.70 0.30 -0.16 -0.02 -0.08 0.04 0.19 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.07 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 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 -0.14 0.13 0.02 -0.38 0.30 0.07 0.22 0.59 -0.15 0.02 0.03 -0.02 -0.00 0.00 0.03 0.08 0.22 -0.04 0.01 -0.00 -0.04 -0.13 0.10 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 0.01 0.01 0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.18 0.08 0.36 0.16 -0.08 -0.01 -0.04 0.02 0.10 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.04 -0.03 0.02 -0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.03 0.15 -0.09 0.08 -0.04 -0.16 0.01 0.01 0.01 0.01 0.02 -0.01 -0.00 0.00 0.00 -0.02 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.08 -0.36 0.52 -0.28 -0.03 -0.25 0.11 0.58 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.03 0.03 -0.08 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -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 -0.11 -0.56 0.34 -0.29 0.15 0.59 -0.02 -0.01 -0.01 -0.03 -0.14 0.08 0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.05 -0.02 -0.10 0.15 -0.08 -0.01 -0.07 0.03 0.16 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.04 -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 0.00 -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 -0.01 -0.01 0.00 0.48 0.70 -0.33 0.03 -0.06 -0.41 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.07 -0.04 -0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.05 0.02 0.10 -0.61 0.33 0.02 -0.26 0.12 0.65 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.07 -0.05 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.20 -0.00 -0.10 0.04 0.04 0.05 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.10 0.77 0.57 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.01 -0.05 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.07 -0.01 0.00 0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.13 -0.10 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.77 0.08 -0.02 -0.06 0.04 -0.29 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -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 0.02 0.01 -0.07 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.04 0.00 0.00 -0.01 0.00 -0.03 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 -0.19 -0.15 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 -0.45 -0.05 0.01 0.07 -0.05 0.35 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.04 -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 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.10 -0.00 0.05 0.49 0.56 0.65 -0.00 -0.00 0.00 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 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 -0.04 -0.01 0.01 -0.01 0.01 -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 0.03 0.03 -0.14 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.44 0.05 -0.01 0.17 -0.12 0.85 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.08 0.00 -0.04 0.01 0.01 0.01 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 0.87 -0.01 0.42 -0.05 -0.05 -0.06 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.03 0.18 0.13 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 0.99996 0.00515 0.00693 -0.00528 0.99981 0.01892 -0.00683 -0.01896 0.9998 asymmetric 1 0.01915 0.00681 0.00622 0.39911 0.14194 0.12955 1035823.3 31.71 49.66 50.15 65.04 76.87 87.61 90.80 105.50 126.27 132.26 163.85 170.80 188.37 219.93 245.05 260.78 286.66 308.66 320.97 347.66 370.12 379.94 419.51 476.72 509.49 540.62 553.97 583.83 642.32 666.17 736.71 808.46 811.71 832.60 878.86 890.70 919.26 953.35 964.38 1020.38 1080.95 1093.97 1105.58 1118.63 1118.87 1138.88 1199.89 1209.68 1212.14 1250.43 1256.54 1263.07 1280.55 1287.62 1299.34 1323.06 1326.76 1345.68 1353.74 1376.23 1401.82 1409.07 1458.88 1472.31 1488.57 1491.09 1511.99 1516.85 1567.33 1574.01 1581.82 1584.35 1615.43 1638.83 1644.93 1666.16 1694.79 1735.58 1766.99 1773.50 1782.20 1792.84 1838.20 1854.10 1861.43 1866.96 1888.75 1896.16 1898.82 1910.49 1936.79 1953.36 1974.44 1989.34 2014.54 2025.01 2032.81 2038.62 2039.71 2068.94 2082.36 2099.90 2124.82 2128.97 2144.30 2144.71 2145.71 2165.11 2177.59 2198.09 2231.66 2349.78 2423.91 2433.21 2503.43 4309.14 4349.87 4350.40 4365.24 4411.24 4421.34 4430.81 4432.91 4436.64 4441.19 4452.02 4480.12 4480.23 4501.94 4502.69 4516.96 4611.74 4665.48 4665.80 4679.76 4689.10 4705.58 4720.96 0.394524 0.418862 0.419806 0.338145 -1164.895319 -1164.870981 -1164.870037 -1164.951698 262.840 90.724 171.871 0.000 0.000 0.000 0.889 2.981 43.411 0.889 2.981 35.037 261.062 84.762 93.424 1 0.593 1.985 6.442 2 0.594 1.983 5.551 3 0.594 1.983 5.532 4 0.595 1.979 5.017 5 0.596 1.976 4.686 6 0.597 1.973 4.428 7 0.597 1.972 4.358 8 0.599 1.967 4.062 9 0.601 1.958 3.709 10 0.602 1.955 3.619 11 0.607 1.938 3.202 12 0.609 1.934 3.121 13 0.612 1.922 2.932 14 0.619 1.899 2.636 15 0.625 1.879 2.432 16 0.630 1.865 2.315 17 0.637 1.841 2.140 18 0.644 1.819 2.005 19 0.649 1.806 1.934 20 0.658 1.777 1.791 21 0.667 1.751 1.680 22 0.671 1.739 1.635 23 0.687 1.689 1.465 24 0.714 1.613 1.254 25 0.730 1.567 1.148 26 0.747 1.522 1.056 27 0.754 1.502 1.019 28 0.771 1.458 0.942 29 0.806 1.369 0.807 30 0.821 1.332 0.757 31 0.867 1.223 0.629 32 0.918 1.114 0.520 33 0.920 1.109 0.516 34 0.935 1.077 0.488 35 0.970 1.009 0.431 36 0.979 0.992 0.418 0.856516e+26 25.932735 59.712330 0.335425e+11 10.525596 24.236080 0.100000e+01 0.000000 0.000000 0.252058e+09 8.401501 19.345172 0.101307e+08 7.005638 16.131078 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0 1-A -1165.2898431 1.907E-9 9.104E-6 0.3945243 0.418862 -1164.8709811 -1164.8700369 -1164.9516983 -0.9126051,-5.7884103,6.7010154,-10.0279857,2.576941,12.0142212 C01 [X(C18H23N3O4)] -0.7870185 -2.8340894 2.7463279 -0.5315638 0.3803855 -0.2691819 0.2465462 -1.9543995 0.5735481 -0.1742982 0.5209184 -1.0425935 -0.2640752 -0.2171227 0.1020074 -0.2126235 -0.6917942 0.3125289 0.1103112 0.2341794 -0.8772236 -0.6072454 0.0160989 -0.0633338 0.0098027 -0.9365736 -0.3028507 -0.0502852 0.1340825 -1.5256717 -1.2111798 0.58132 -0.1483668 0.4328488 -1.6687806 0.5308112 0.0545873 0.5840192 -0.8007086 -0.9829327 -0.4703522 0.2858287 -0.3448469 -1.6955614 0.6339371 0.1594029 0.5018841 -0.8133299 -1.9932071 -0.3558844 0.5357712 -0.174217 -0.2744519 0.1695733 0.5411411 0.228812 -0.2796642 -0.946565 -0.1891755 0.1726985 -0.0530913 -0.4515861 0.0176292 0.209474 0.0477622 -0.4738673 0.176209 -0.4830304 0.2400229 -0.1585305 0.3333108 -0.3450085 0.1857792 -0.138932 0.4256023 0.1446178 0.1290358 -0.0322902 0.0302952 0.0045782 0.0773783 -0.047761 0.1192141 0.0852564 0.9625056 0.4791822 -0.151591 0.1869461 0.4379581 0.090481 -0.0115499 0.2381233 0.1958377 0.6466809 -0.2733849 0.3722405 -0.211863 1.8936083 -0.134955 0.2979311 -0.7305116 2.0698091 2.5561951 -0.0477301 -0.5856031 -0.0092836 2.6204526 -1.2433456 -0.6752421 -1.3290963 1.2126587 0.1080657 -0.0035174 0.0189892 0.001261 0.0207743 -0.0379796 0.0201352 -0.0565655 0.0465207 -0.0905969 0.1273465 -0.0123393 0.0386937 0.0878669 -0.1025072 -0.0318982 -0.1526836 0.6045888 0.4579191 -0.1121343 0.0858634 -0.0590646 1.2214798 -0.1049194 0.016151 0.1249862 0.3099278 -0.0325814 -0.0818776 -0.0519953 -0.0399456 -0.0105403 0.0201689 -0.018159 -0.0565812 0.0750977 -0.2269928 0.0373232 0.0379059 0.1030629 -0.0553022 0.093831 0.0227619 0.1101514 -0.0388704 0.0361131 -0.156292 0.0285021 -0.1788114 0.0659901 -0.1020574 -0.0224262 -0.138691 0.0819529 0.464973 0.0220564 -0.2130093 -0.4794937 -0.2921341 0.1640084 -0.1835454 0.0061921 -0.0838973 0.9589979 0.4415716 -0.2150873 0.5674447 0.2960507 -0.1704347 -0.2463832 -0.0930516 0.1082118 -0.2524124 0.058345 -0.0048293 0.0514774 -0.0452989 0.0570581 -0.0369442 0.0425086 -0.1561697 -0.0752562 0.1875358 -0.1497626 0.1392434 0.3101918 -0.2827735 -0.1499389 -0.2941738 0.2489038 -0.0352676 -0.1194441 -0.082867 0.000671 0.200356 0.1153131 -0.0732434 0.1331283 -0.1115956 0.1711089 0.3741093 0.0035879 0.3421761 0.0658249 0.1973858 -0.0043059 0.1807964 0.1357173 -0.198375 0.1173508 -0.1656481 0.0699904 -0.4100255 0.0088323 -0.2237968 -0.0431564 -0.117727 -0.0022929 0.0661593 -0.0084979 -0.0073193 0.0244075 -0.0102809 -0.0315138 -0.0306375 0.1206532 -0.1123037 -0.1102191 0.0613436 -0.0871655 0.0096856 -0.0231509 0.0414064 -0.022444 0.0393046 0.0008854 0.0827911 -0.066891 0.0680616 0.0112536 0.0431167 -0.0553924 0.0945437 -0.020244 0.0345084 -0.0536999 -0.0280115 0.0127349 0.0533322 0.013762 -0.0612675 0.0340073 0.0609948 -0.0132946 -0.1100332 0.0546824 -0.0356579 0.0461728 -0.03632 0.0921065 -0.0649918 -0.0547138 -0.0228469 0.1028023 -0.0887313 0.070666 -0.0369551 0.0500985 -0.0995495 0.08505 0.0372721 0.0909981 0.0006083 0.0572078 -0.003321 0.0410714 -0.0356568 0.0494987 -0.0664402 -0.1946822 -0.1466027 -0.1064885 0.0374699 -0.0637338 0.0038078 -0.0182766 0.0571002 0.0125975 0.0831312 -0.0118833 0.0510308 -0.0893305 0.0142689 -0.0262343 0.0344454 -0.1468014 0.041045 -0.0256556 0.0024748 -0.0059085 0.0685675 -0.0486555 -0.0391008 0.0585938 0.134215 -0.0482274 -0.0312884 0.0495048 0.029616 0.050854 0.0785775 -0.1625061 -0.051325 0.0431917 -0.03123 0.0542185 -0.0129371 -0.0074797 -0.0550757 0.015439 0.0862207 0.0375023 -0.053151 0.0610814 -0.0636688 0.2162878 -0.0239599 -0.0143757 -0.0268248 0.1499233 -0.0367576 -0.0104151 -0.0310312 -0.008851 0.0116561 0.030819 0.0122951 0.0231623 -0.1375232 -0.0819352 0.0816505 -0.0269623 0.0826842 -0.0898124 -0.0395659 -0.1569954 0.024073 0.0617289 0.0584916 -0.0631634 0.0854121 -0.0750326 0.146212 0.0057654 -0.00708 0.0381016 0.1622852 -0.0660476 0.0021932 -0.049136 0.2492276 0.0999876 0.0054418 0.0415724 0.0129427 0.1033234 -0.0334694 0.0403952 -0.0280521 0.171439 0.2038461 -0.073195 0.0268313 -0.0930288 0.0435423 -0.0031255 0.0156188 -0.0197374 0.1469643 0.223534 -0.0468129 0.0133778 -0.0557072 0.0990489 -0.0181338 -0.0027506 -0.0351575 0.0559327 0.0287809 0.0571692 0.0766833 0.0365799 0.080919 -0.0499221 0.053204 -0.0626652 0.1741806 0.0120629 -0.0802898 0.1356838 -0.0789036 0.1070428 -0.0193845 0.1100844 -0.0270896 -0.1034507 -0.0273281 -0.1671841 0.0330207 -0.1406475 0.0829053 -0.0303228 0.0596047 -0.003783 0.0814719 0.0834279 -0.0490821 0.1078868 -0.0523308 0.1636547 -0.017555 0.0758383 -0.0394672 -0.0586541 313.2368196|34.6322919|355.039739|-10.3837156|-1.7703684|297.8332263 -0.000007216 0.000017033 0.000011183 0.000007844 0.000006744 0.000009520 0.000011360 0.000000624 0.000026599 0.000003099 -0.000010100 -0.000008194 0.000007425 0.000008573 -0.000035827 -0.000002846 0.000010644 -0.000003371 -0.000005195 0.000002916 0.000009219 0.000007118 -0.000010722 0.000017354 -0.000016913 0.000016954 -0.000021633 -0.000004463 -0.000005818 0.000008736 -0.000017051 0.000001753 -0.000026393 -0.000003005 0.000006540 0.000016994 -0.000007589 -0.000007959 -0.000006377 0.000011366 -0.000016914 -0.000022676 0.000001125 -0.000029590 -0.000004828 0.000011485 0.000007255 0.000016472 -0.000009013 0.000006875 0.000003043 -0.000000562 0.000000682 -0.000003697 -0.000002403 -0.000007168 -0.000001995 0.000002103 -0.000008834 -0.000005822 0.000008307 -0.000002969 -0.000010521 -0.000006947 -0.000016637 -0.000002733 0.000003770 -0.000001286 0.000011986 -0.000000077 0.000005972 -0.000002071 0.000006265 -0.000000662 0.000002359 -0.000001561 0.000011583 0.000008738 -0.000005783 -0.000000616 0.000004428 0.000003435 0.000000460 0.000002627 -0.000002229 -0.000002904 -0.000010379 -0.000001983 -0.000004156 -0.000012403 -0.000006415 0.000006437 -0.000005036 -0.000013514 0.000003662 -0.000001652 -0.000007685 0.000004012 0.000000642 0.000004463 0.000011504 0.000010167 0.000004085 0.000001478 0.000011772 -0.000000775 0.000002068 0.000002679 0.000005721 -0.000001210 0.000001478 0.000002139 -0.000003880 -0.000006490 -0.000002712 0.000004608 0.000006365 0.000000171 -0.000000681 0.000005616 0.000004628 -0.000000980 0.000008500 -0.000001134 0.000002117 -0.000003707 0.000001521 -0.000003350 -0.000002159 0.000012695 -0.000004952 -0.000005508 0.000003234 0.000003819 0.000004558 -0.000004650 0.000003257 -0.000000907 0.000003481 -0.000002697 0.000000731 0.000004882 -0.000003483 0.000002611 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/CONF1149/ #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 CONF1149 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 2342.8430177983 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 -0.0607270289 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.473823 0.000000 2.252620 3.025347 0.000000 5.863027 4.369976 4.748401 0.000000 3.620759 3.130908 2.824628 2.290199 0.000000 4.855887 4.966555 3.841010 2.284514 2.372471 0.000000 6.333617 7.099975 5.530578 4.095706 4.545625 2.219291 0.000000 2.372278 3.841077 2.429172 3.599250 1.473472 2.865785 4.688816 0.000000 2.763946 4.692586 3.713604 4.388004 2.505787 4.029913 5.680626 1.540102 0.000000 4.236852 2.432942 3.504306 2.743760 1.484430 3.720199 5.921263 2.532251 3.001380 0.000000 1.333487 3.492492 1.211830 4.674934 2.481972 3.754027 5.454217 1.535094 2.601143 3.240640 0.000000 4.730750 3.986178 3.696932 1.223226 1.357525 1.432254 3.579740 2.491588 3.503839 2.416307 3.549870 0.000000 4.228476 5.649235 4.956454 4.120401 2.993630 4.029709 5.440680 2.544655 1.529297 3.485366 3.940631 3.507781 0.000000 3.905652 1.371196 3.099274 4.049051 2.479806 4.722680 6.919925 3.059052 3.561119 1.484790 3.054945 3.600155 4.486415 0.000000 1.463217 5.049699 2.724969 7.073976 4.866023 5.957036 7.288730 3.747081 4.213409 5.400767 2.400141 5.937948 5.684272 4.773014 0.000000 2.469623 4.776556 3.309405 7.660754 5.436505 6.916339 8.485437 4.554465 4.890937 5.581804 3.194402 6.639045 6.419757 4.597507 1.518827 0.000000 3.793374 2.233657 3.598307 5.319831 3.542768 5.843117 7.990203 3.662242 3.775717 2.616155 3.385156 4.797819 4.887465 1.361385 4.473352 3.958706 0.000000 2.982222 5.276067 4.333873 8.098876 5.838002 7.601133 9.269766 4.918118 4.780946 5.748738 3.887367 7.146657 6.252157 4.778154 2.539269 1.529005 3.805132 0.000000 4.521663 5.131932 3.329417 3.508685 3.054085 1.391956 2.261493 3.139191 4.515340 4.452634 3.483221 2.551954 4.864590 5.107938 5.358464 6.428421 6.126321 7.340298 0.000000 5.967545 6.289013 5.155752 2.874831 3.576551 1.374714 1.309819 3.974899 4.883101 4.850353 4.987792 2.473698 4.510438 5.993984 7.089567 8.154254 7.110977 8.800608 2.222038 0.000000 4.332772 2.235938 3.818789 6.246242 4.540097 6.664384 8.774612 4.664023 5.015427 3.718101 3.977264 5.721318 6.232649 2.243498 4.576363 3.704690 1.434794 3.764423 6.728229 8.001951 0.000000 4.683498 1.366497 3.474217 5.728774 4.300309 6.167127 8.247778 4.703632 5.420133 3.591053 3.997587 5.276615 6.562152 2.203484 4.915116 4.254210 2.233221 4.723624 6.158036 7.520590 1.357979 0.000000 5.531024 6.485909 4.561233 4.377271 4.289540 2.190372 1.386643 4.265279 5.483795 5.716191 4.659328 3.595590 5.624242 6.456017 6.294276 7.500523 7.461711 8.439418 1.363724 2.150119 8.077412 7.504351 0.000000 4.410748 5.728574 5.429175 9.055561 6.876519 8.807653 10.592719 6.152856 5.976946 6.517290 5.146504 8.210883 7.397117 5.347689 3.907925 2.571286 4.162125 1.503460 8.595146 10.056775 3.775217 4.882816 9.758110 0.000000 5.189375 5.790814 5.755118 9.552099 7.457840 9.354432 11.169467 6.891011 6.938453 7.035936 5.744615 8.750407 8.387550 5.708593 4.496323 2.991818 4.583295 2.539864 9.055114 10.662385 3.775182 4.709189 10.246690 1.333082 0.000000 2.775219 4.717941 2.843306 3.728602 2.079734 2.358858 3.810443 1.091802 2.121766 3.419833 2.076887 2.549528 2.729096 4.079606 4.057564 5.133916 4.740747 5.623170 2.489658 3.278301 5.675795 5.617169 3.403010 6.959018 7.708167 0.000000 2.968712 4.309266 3.914558 4.746960 2.823367 4.785740 6.616406 2.177414 1.092180 2.760625 2.886449 4.002847 2.173982 3.040184 4.301514 4.635669 2.970826 4.290233 5.293609 5.740452 4.289989 4.890438 6.378072 5.302425 6.270302 3.040505 0.000000 2.426895 5.433603 3.970046 5.348888 3.414067 4.636754 6.020799 2.133184 1.090765 4.016535 2.762825 4.371384 2.156037 4.369952 3.781764 4.610156 4.373444 4.440140 4.890458 5.414870 5.490512 5.997673 5.731285 5.753968 6.811298 2.409261 1.748645 0.000000 5.234008 2.609186 4.184626 2.282537 2.081022 3.834507 5.997169 3.418936 3.985893 1.088043 4.133766 2.435403 4.219083 2.115443 6.344410 6.495728 3.356204 6.733795 4.689766 4.862732 4.267324 3.888166 5.902473 7.415849 7.823776 4.153519 3.800017 5.029338 0.000000 4.517664 3.316086 4.287505 3.215166 2.122870 4.294881 6.400779 2.831820 2.707680 1.091070 3.760799 2.999835 2.938245 2.111821 5.782008 5.943000 2.801437 5.841345 5.162618 5.263607 4.124020 4.301205 6.345244 6.579890 7.244976 3.724106 2.289388 3.761285 1.757252 0.000000 4.853357 5.333976 5.162991 3.368355 2.716722 3.844768 5.421858 2.843649 2.191291 2.967551 4.313055 3.040227 1.093510 4.197052 6.310551 6.928354 4.787674 6.799979 4.905486 4.310979 6.157142 6.371862 5.724085 7.835540 8.734843 3.149862 2.554066 3.081218 3.490349 2.343351 0.000000 4.808198 6.427431 5.840209 5.083136 4.008073 5.107348 6.400609 3.491737 2.166357 4.275900 4.752444 4.567676 1.093176 5.169194 6.215707 6.869903 5.353310 6.472877 5.929706 5.497810 6.737738 7.238124 6.636010 7.548674 8.637199 3.711991 2.507840 2.486609 5.017972 3.530298 1.765044 0.000000 4.503990 6.262209 5.173451 4.190727 3.320366 3.656062 4.677165 2.787611 2.175535 4.161136 4.198467 3.516383 1.094842 5.229273 5.926779 6.872244 5.747757 6.860130 4.451320 3.876450 7.025162 7.235955 4.980249 8.115043 9.097287 2.521519 3.083953 2.510675 4.805861 3.802303 1.767146 1.768430 0.000000 2.019170 6.086172 3.702196 7.819216 5.613938 6.565270 7.695061 4.335856 4.556318 6.218799 3.202070 6.652089 5.951311 5.694503 1.090628 2.170582 5.318038 2.785439 5.953538 7.580688 5.505210 5.956419 6.739836 4.186032 4.916513 4.498652 4.720188 3.880536 7.207707 6.479648 6.718918 6.356043 6.114969 0.000000 2.085797 5.106293 2.456310 7.035030 4.974906 5.724789 6.902793 3.984290 4.776872 5.664400 2.546150 5.883810 6.181010 5.075938 1.090444 2.171971 5.000888 3.491733 4.909302 6.847688 4.970499 5.024118 5.773696 4.731573 5.094830 4.127644 4.997231 4.438445 6.502641 6.210649 6.742970 6.841284 6.297735 1.779579 0.000000 3.383568 5.589969 4.064217 8.613999 6.427072 7.757581 9.205859 5.546106 5.939253 6.609199 4.117702 7.577475 7.464011 5.573470 2.112345 1.095992 4.929746 2.166343 7.130229 8.982585 4.460478 4.923736 8.128955 2.817919 2.918136 6.034963 5.721541 5.588296 7.483261 7.016933 7.998654 7.908605 7.862609 2.488976 2.451039 0.000000 2.756493 3.840565 2.835959 7.124586 5.001551 6.582418 8.297899 4.393773 4.928311 5.004019 3.015329 6.187165 6.434982 3.869969 2.145375 1.092842 3.314616 2.169063 6.139895 7.892643 2.829065 3.217248 7.311068 2.855631 2.971654 5.081893 4.600908 4.886910 5.818176 5.493610 6.780300 6.983704 6.941422 3.064199 2.484003 1.760107 0.000000 3.832292 3.273343 4.214564 5.744205 3.912485 6.249070 8.343421 3.799545 3.468294 3.023945 3.707156 5.208282 4.529749 2.176901 4.608862 4.119601 1.078658 3.584383 6.616635 7.435093 2.259003 3.280522 7.901347 3.941691 4.622003 4.875332 2.477514 3.974921 3.873619 2.818497 4.534308 4.791882 5.483236 5.282566 5.323873 5.129172 3.731332 0.000000 2.657943 4.776741 4.082497 7.312741 5.077177 6.989316 8.751708 4.201948 3.876801 4.895753 3.441340 6.415116 5.302686 4.043803 2.795753 2.158688 3.054036 1.097246 6.912217 8.165135 3.385533 4.426023 8.050512 2.119916 3.228669 5.003993 3.269467 3.645638 5.912285 4.865570 5.810825 5.486789 5.999371 3.135014 3.794730 3.069206 2.508828 2.649707 0.000000 3.248985 6.259399 4.983089 8.726511 6.441437 8.054542 9.560395 5.341459 5.039524 6.493087 4.394151 7.718126 6.450233 5.674711 2.733161 2.160068 4.746563 1.099040 7.756737 9.167103 4.840602 5.791153 8.747849 2.120814 3.238970 5.910387 4.664826 4.473738 7.525585 6.498623 7.138265 6.560167 6.977869 2.526917 3.744820 2.534849 3.070756 4.387907 1.742811 0.000000 3.913660 4.464186 2.410707 3.905129 2.969375 2.162330 3.321833 2.953048 4.456396 4.244770 2.831990 2.872849 5.124080 4.592133 4.574788 5.557198 5.528935 6.584346 1.076703 3.245590 5.959250 5.350507 2.240148 7.789887 8.157097 2.556271 5.098568 4.790189 4.571487 5.065727 5.213995 6.175985 4.889345 5.276452 4.040114 6.207344 5.210055 6.107895 6.254606 7.064567 0.000000 6.630476 6.718657 5.936027 2.766264 3.923217 2.145675 2.139632 4.463257 5.123684 5.006827 5.669902 2.746369 4.445668 6.309133 7.854667 8.862753 7.436946 9.376830 3.249049 1.078582 8.436792 8.008483 3.205221 10.596347 11.252348 3.881448 5.932760 5.742578 4.911608 5.256867 4.080651 5.340722 3.822919 8.332859 7.713042 9.750946 8.590445 7.685589 8.649127 9.745466 4.223185 0.000000 4.795873 3.276444 4.564865 7.313473 5.540957 7.658618 9.731220 5.508579 5.729828 4.742727 4.693121 6.759055 7.006649 3.289287 4.789762 3.630413 2.257705 3.492648 7.649649 8.999256 1.078368 2.179424 8.980756 3.101066 2.898760 6.506803 4.942416 6.067503 5.320062 5.046373 7.014928 7.412367 7.824569 5.628661 5.260749 4.219128 2.857377 2.743943 3.324965 4.571956 6.833766 9.454509 0.000000 5.407977 2.079030 3.957726 6.337135 5.087456 6.711145 8.698487 5.533212 6.386713 4.487325 4.704959 5.925336 7.534665 3.198758 5.434375 4.721317 3.303901 5.373535 6.566387 8.059377 2.242463 1.078166 7.870044 5.422027 5.001412 6.359014 5.922697 6.932467 4.638643 5.282115 7.331425 8.256446 8.146776 6.497240 5.375045 5.199029 3.631466 4.335568 5.247169 6.444346 5.693853 8.605761 2.745628 0.000000 5.955640 7.187030 5.015319 5.422821 5.217692 3.246535 2.158269 5.050806 6.279725 6.643004 5.208103 4.624470 6.522474 7.252290 6.513276 7.777314 8.195302 8.825769 2.196679 3.174299 8.699312 8.099912 1.079210 10.162155 10.601377 4.163501 7.182711 6.395038 6.862779 7.306497 6.712959 7.503534 5.844599 6.885003 5.864492 8.283080 7.646712 8.657414 8.554313 9.077220 2.757862 4.193178 9.546961 8.378201 0.000000 5.056033 6.381974 6.264514 9.544200 7.394335 9.420161 11.229696 6.665191 6.249290 6.932312 5.842057 8.749067 7.566383 5.838931 4.728518 3.534260 4.558262 2.193026 9.321813 10.628699 4.351290 5.587893 10.483048 1.089505 2.084803 7.499127 5.482422 6.004997 7.842399 6.830634 8.013984 7.565358 8.350434 4.876626 5.643617 3.827718 3.862290 4.107933 2.497548 2.489592 8.583873 11.089578 3.647881 6.205586 10.938851 0.000000 6.238653 6.473067 6.754207 10.370439 8.339414 10.313711 12.180700 7.851290 7.834297 7.786998 6.761599 9.635247 9.239841 6.419816 5.580362 4.077438 5.234854 3.516335 10.060742 11.631278 4.348036 5.303638 11.275794 2.108237 1.085630 8.709863 7.087475 7.742717 8.520512 7.949346 9.540820 9.433477 10.005147 5.970499 6.171938 3.948400 4.004970 5.235517 4.116267 4.124861 9.161838 12.187592 3.335450 5.520780 11.648262 2.410156 0.000000 5.034977 5.452893 5.270413 9.321079 7.269083 9.012926 10.772993 6.752329 7.037708 6.953588 5.466333 8.495855 8.526871 5.596332 4.188667 2.692995 4.655250 2.838094 8.593089 10.341802 3.674169 4.327600 9.766169 2.125013 1.085360 7.512317 6.476354 6.943469 7.688278 7.321248 8.849347 8.903363 9.161077 4.734538 4.574486 2.431683 2.483280 4.918845 3.592390 3.610606 7.632398 11.003477 2.918823 4.442086 10.054830 3.073035 1.845164 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3991135 0.1419416 0.1295547 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= 1.21D-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= 705 705 705 705 705 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.28984308583 -1165.28984309 1 1.160432754995e+03 -7.401710807449e+03 2.733203548464e+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. PT1576.200S Wed Jan 12 06:51:28 2022 GINC-CIBELES2-310 PAULAPLA 12-Jan-2022 0 Wavefunction pefurazoate CONF1149 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2898431 RMSD=1.286e-09 Dipole=-0.7870185,-2.8340895,2.7463281 Quadrupole=-0.9126047,-5.7884109,6.7010157,-10.0279859,2.576941,12.0142218 PG=C01 [X(C18H23N3O4)] 0 1.1207197543 -1.4823217593 1.146382071 0 -2.2454591131 -0.2948100613 -1.5506059826 0 0.6498669217 -0.9758809151 -0.9974729263 0 -0.3899034121 3.6503198901 -1.2513456764 0 -0.1537265822 1.6184451854 -0.2214351154 0 1.6934932196 2.7132948292 -1.2302470637 0 3.6887271612 3.6026246404 -1.621895185 0 0.699668866 0.8007315923 0.6584392953 0 0.348555111 0.9753938081 2.147776596 0 -1.6244556694 1.5155291521 -0.048529883 0 0.7770487627 -0.6500810539 0.1627900193 0 0.299854351 2.7031555678 -0.9000674836 0 0.4541657253 2.4343279562 2.5939910153 0 -2.1443587327 0.1400158694 -0.254116969 0 1.3988566723 -2.8776328051 0.8046957855 0 0.1329368273 -3.716592016 0.7839442895 0 -2.5757379117 -0.8360938665 0.591158081 0 -0.6061115374 -3.709199761 2.1224539208 0 2.4790304455 1.6974128304 -1.7673297271 0 2.4777694459 3.8413744411 -1.1834815184 0 -2.961735203 -1.9491201886 -0.2278725557 0 -2.7342338169 -1.5703173866 -1.5119517359 0 3.6955911406 2.268327999 -1.9992321289 0 -1.8179292493 -4.5947340672 2.2103030969 0 -2.3205947062 -5.365250356 1.2455552667 0 1.7247893981 1.1583627422 0.5432853099 0 -0.6459882971 0.5745267828 2.3552515256 0 1.0521359749 0.3665285694 2.717009243 0 -2.0774238578 2.1899176714 -0.7723094113 0 -1.910032112 1.8618745087 0.9459167101 0 -0.2516126662 3.0812955206 2.0657169444 0 0.2450987701 2.5196419951 3.6635915958 0 1.461310424 2.8253671189 2.4167131863 0 2.0808111742 -3.201926802 1.5916146694 0 1.9153905116 -2.9052767872 -0.1552502816 0 0.4370062751 -4.7375776031 0.5264001556 0 -0.5217407606 -3.3653787554 -0.0175233822 0 -2.6088735733 -0.7715727968 1.667375099 0 -0.9128089946 -2.6840196405 2.3651290075 0 0.0871497866 -3.9969293203 2.9252543025 0 2.0856735561 0.7114834961 -1.9476149488 0 2.0968623674 4.7779596896 -0.807905448 0 -3.3390501192 -2.9038456682 0.1022943324 0 -2.8630170121 -2.0565724352 -2.4655827819 0 4.5723083855 1.8045827867 -2.4246735723 0 -2.3198015296 -4.5810186499 3.1772344234 0 -3.2081032651 -5.9666356059 1.4165987589 0 -1.8792387115 -5.4267186719 0.2558921553 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/CONF1149/ #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 CONF1149 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 2342.8430177983 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 -0.0607270289 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.473823 0.000000 2.252620 3.025347 0.000000 5.863027 4.369976 4.748401 0.000000 3.620759 3.130908 2.824628 2.290199 0.000000 4.855887 4.966555 3.841010 2.284514 2.372471 0.000000 6.333617 7.099975 5.530578 4.095706 4.545625 2.219291 0.000000 2.372278 3.841077 2.429172 3.599250 1.473472 2.865785 4.688816 0.000000 2.763946 4.692586 3.713604 4.388004 2.505787 4.029913 5.680626 1.540102 0.000000 4.236852 2.432942 3.504306 2.743760 1.484430 3.720199 5.921263 2.532251 3.001380 0.000000 1.333487 3.492492 1.211830 4.674934 2.481972 3.754027 5.454217 1.535094 2.601143 3.240640 0.000000 4.730750 3.986178 3.696932 1.223226 1.357525 1.432254 3.579740 2.491588 3.503839 2.416307 3.549870 0.000000 4.228476 5.649235 4.956454 4.120401 2.993630 4.029709 5.440680 2.544655 1.529297 3.485366 3.940631 3.507781 0.000000 3.905652 1.371196 3.099274 4.049051 2.479806 4.722680 6.919925 3.059052 3.561119 1.484790 3.054945 3.600155 4.486415 0.000000 1.463217 5.049699 2.724969 7.073976 4.866023 5.957036 7.288730 3.747081 4.213409 5.400767 2.400141 5.937948 5.684272 4.773014 0.000000 2.469623 4.776556 3.309405 7.660754 5.436505 6.916339 8.485437 4.554465 4.890937 5.581804 3.194402 6.639045 6.419757 4.597507 1.518827 0.000000 3.793374 2.233657 3.598307 5.319831 3.542768 5.843117 7.990203 3.662242 3.775717 2.616155 3.385156 4.797819 4.887465 1.361385 4.473352 3.958706 0.000000 2.982222 5.276067 4.333873 8.098876 5.838002 7.601133 9.269766 4.918118 4.780946 5.748738 3.887367 7.146657 6.252157 4.778154 2.539269 1.529005 3.805132 0.000000 4.521663 5.131932 3.329417 3.508685 3.054085 1.391956 2.261493 3.139191 4.515340 4.452634 3.483221 2.551954 4.864590 5.107938 5.358464 6.428421 6.126321 7.340298 0.000000 5.967545 6.289013 5.155752 2.874831 3.576551 1.374714 1.309819 3.974899 4.883101 4.850353 4.987792 2.473698 4.510438 5.993984 7.089567 8.154254 7.110977 8.800608 2.222038 0.000000 4.332772 2.235938 3.818789 6.246242 4.540097 6.664384 8.774612 4.664023 5.015427 3.718101 3.977264 5.721318 6.232649 2.243498 4.576363 3.704690 1.434794 3.764423 6.728229 8.001951 0.000000 4.683498 1.366497 3.474217 5.728774 4.300309 6.167127 8.247778 4.703632 5.420133 3.591053 3.997587 5.276615 6.562152 2.203484 4.915116 4.254210 2.233221 4.723624 6.158036 7.520590 1.357979 0.000000 5.531024 6.485909 4.561233 4.377271 4.289540 2.190372 1.386643 4.265279 5.483795 5.716191 4.659328 3.595590 5.624242 6.456017 6.294276 7.500523 7.461711 8.439418 1.363724 2.150119 8.077412 7.504351 0.000000 4.410748 5.728574 5.429175 9.055561 6.876519 8.807653 10.592719 6.152856 5.976946 6.517290 5.146504 8.210883 7.397117 5.347689 3.907925 2.571286 4.162125 1.503460 8.595146 10.056775 3.775217 4.882816 9.758110 0.000000 5.189375 5.790814 5.755118 9.552099 7.457840 9.354432 11.169467 6.891011 6.938453 7.035936 5.744615 8.750407 8.387550 5.708593 4.496323 2.991818 4.583295 2.539864 9.055114 10.662385 3.775182 4.709189 10.246690 1.333082 0.000000 2.775219 4.717941 2.843306 3.728602 2.079734 2.358858 3.810443 1.091802 2.121766 3.419833 2.076887 2.549528 2.729096 4.079606 4.057564 5.133916 4.740747 5.623170 2.489658 3.278301 5.675795 5.617169 3.403010 6.959018 7.708167 0.000000 2.968712 4.309266 3.914558 4.746960 2.823367 4.785740 6.616406 2.177414 1.092180 2.760625 2.886449 4.002847 2.173982 3.040184 4.301514 4.635669 2.970826 4.290233 5.293609 5.740452 4.289989 4.890438 6.378072 5.302425 6.270302 3.040505 0.000000 2.426895 5.433603 3.970046 5.348888 3.414067 4.636754 6.020799 2.133184 1.090765 4.016535 2.762825 4.371384 2.156037 4.369952 3.781764 4.610156 4.373444 4.440140 4.890458 5.414870 5.490512 5.997673 5.731285 5.753968 6.811298 2.409261 1.748645 0.000000 5.234008 2.609186 4.184626 2.282537 2.081022 3.834507 5.997169 3.418936 3.985893 1.088043 4.133766 2.435403 4.219083 2.115443 6.344410 6.495728 3.356204 6.733795 4.689766 4.862732 4.267324 3.888166 5.902473 7.415849 7.823776 4.153519 3.800017 5.029338 0.000000 4.517664 3.316086 4.287505 3.215166 2.122870 4.294881 6.400779 2.831820 2.707680 1.091070 3.760799 2.999835 2.938245 2.111821 5.782008 5.943000 2.801437 5.841345 5.162618 5.263607 4.124020 4.301205 6.345244 6.579890 7.244976 3.724106 2.289388 3.761285 1.757252 0.000000 4.853357 5.333976 5.162991 3.368355 2.716722 3.844768 5.421858 2.843649 2.191291 2.967551 4.313055 3.040227 1.093510 4.197052 6.310551 6.928354 4.787674 6.799979 4.905486 4.310979 6.157142 6.371862 5.724085 7.835540 8.734843 3.149862 2.554066 3.081218 3.490349 2.343351 0.000000 4.808198 6.427431 5.840209 5.083136 4.008073 5.107348 6.400609 3.491737 2.166357 4.275900 4.752444 4.567676 1.093176 5.169194 6.215707 6.869903 5.353310 6.472877 5.929706 5.497810 6.737738 7.238124 6.636010 7.548674 8.637199 3.711991 2.507840 2.486609 5.017972 3.530298 1.765044 0.000000 4.503990 6.262209 5.173451 4.190727 3.320366 3.656062 4.677165 2.787611 2.175535 4.161136 4.198467 3.516383 1.094842 5.229273 5.926779 6.872244 5.747757 6.860130 4.451320 3.876450 7.025162 7.235955 4.980249 8.115043 9.097287 2.521519 3.083953 2.510675 4.805861 3.802303 1.767146 1.768430 0.000000 2.019170 6.086172 3.702196 7.819216 5.613938 6.565270 7.695061 4.335856 4.556318 6.218799 3.202070 6.652089 5.951311 5.694503 1.090628 2.170582 5.318038 2.785439 5.953538 7.580688 5.505210 5.956419 6.739836 4.186032 4.916513 4.498652 4.720188 3.880536 7.207707 6.479648 6.718918 6.356043 6.114969 0.000000 2.085797 5.106293 2.456310 7.035030 4.974906 5.724789 6.902793 3.984290 4.776872 5.664400 2.546150 5.883810 6.181010 5.075938 1.090444 2.171971 5.000888 3.491733 4.909302 6.847688 4.970499 5.024118 5.773696 4.731573 5.094830 4.127644 4.997231 4.438445 6.502641 6.210649 6.742970 6.841284 6.297735 1.779579 0.000000 3.383568 5.589969 4.064217 8.613999 6.427072 7.757581 9.205859 5.546106 5.939253 6.609199 4.117702 7.577475 7.464011 5.573470 2.112345 1.095992 4.929746 2.166343 7.130229 8.982585 4.460478 4.923736 8.128955 2.817919 2.918136 6.034963 5.721541 5.588296 7.483261 7.016933 7.998654 7.908605 7.862609 2.488976 2.451039 0.000000 2.756493 3.840565 2.835959 7.124586 5.001551 6.582418 8.297899 4.393773 4.928311 5.004019 3.015329 6.187165 6.434982 3.869969 2.145375 1.092842 3.314616 2.169063 6.139895 7.892643 2.829065 3.217248 7.311068 2.855631 2.971654 5.081893 4.600908 4.886910 5.818176 5.493610 6.780300 6.983704 6.941422 3.064199 2.484003 1.760107 0.000000 3.832292 3.273343 4.214564 5.744205 3.912485 6.249070 8.343421 3.799545 3.468294 3.023945 3.707156 5.208282 4.529749 2.176901 4.608862 4.119601 1.078658 3.584383 6.616635 7.435093 2.259003 3.280522 7.901347 3.941691 4.622003 4.875332 2.477514 3.974921 3.873619 2.818497 4.534308 4.791882 5.483236 5.282566 5.323873 5.129172 3.731332 0.000000 2.657943 4.776741 4.082497 7.312741 5.077177 6.989316 8.751708 4.201948 3.876801 4.895753 3.441340 6.415116 5.302686 4.043803 2.795753 2.158688 3.054036 1.097246 6.912217 8.165135 3.385533 4.426023 8.050512 2.119916 3.228669 5.003993 3.269467 3.645638 5.912285 4.865570 5.810825 5.486789 5.999371 3.135014 3.794730 3.069206 2.508828 2.649707 0.000000 3.248985 6.259399 4.983089 8.726511 6.441437 8.054542 9.560395 5.341459 5.039524 6.493087 4.394151 7.718126 6.450233 5.674711 2.733161 2.160068 4.746563 1.099040 7.756737 9.167103 4.840602 5.791153 8.747849 2.120814 3.238970 5.910387 4.664826 4.473738 7.525585 6.498623 7.138265 6.560167 6.977869 2.526917 3.744820 2.534849 3.070756 4.387907 1.742811 0.000000 3.913660 4.464186 2.410707 3.905129 2.969375 2.162330 3.321833 2.953048 4.456396 4.244770 2.831990 2.872849 5.124080 4.592133 4.574788 5.557198 5.528935 6.584346 1.076703 3.245590 5.959250 5.350507 2.240148 7.789887 8.157097 2.556271 5.098568 4.790189 4.571487 5.065727 5.213995 6.175985 4.889345 5.276452 4.040114 6.207344 5.210055 6.107895 6.254606 7.064567 0.000000 6.630476 6.718657 5.936027 2.766264 3.923217 2.145675 2.139632 4.463257 5.123684 5.006827 5.669902 2.746369 4.445668 6.309133 7.854667 8.862753 7.436946 9.376830 3.249049 1.078582 8.436792 8.008483 3.205221 10.596347 11.252348 3.881448 5.932760 5.742578 4.911608 5.256867 4.080651 5.340722 3.822919 8.332859 7.713042 9.750946 8.590445 7.685589 8.649127 9.745466 4.223185 0.000000 4.795873 3.276444 4.564865 7.313473 5.540957 7.658618 9.731220 5.508579 5.729828 4.742727 4.693121 6.759055 7.006649 3.289287 4.789762 3.630413 2.257705 3.492648 7.649649 8.999256 1.078368 2.179424 8.980756 3.101066 2.898760 6.506803 4.942416 6.067503 5.320062 5.046373 7.014928 7.412367 7.824569 5.628661 5.260749 4.219128 2.857377 2.743943 3.324965 4.571956 6.833766 9.454509 0.000000 5.407977 2.079030 3.957726 6.337135 5.087456 6.711145 8.698487 5.533212 6.386713 4.487325 4.704959 5.925336 7.534665 3.198758 5.434375 4.721317 3.303901 5.373535 6.566387 8.059377 2.242463 1.078166 7.870044 5.422027 5.001412 6.359014 5.922697 6.932467 4.638643 5.282115 7.331425 8.256446 8.146776 6.497240 5.375045 5.199029 3.631466 4.335568 5.247169 6.444346 5.693853 8.605761 2.745628 0.000000 5.955640 7.187030 5.015319 5.422821 5.217692 3.246535 2.158269 5.050806 6.279725 6.643004 5.208103 4.624470 6.522474 7.252290 6.513276 7.777314 8.195302 8.825769 2.196679 3.174299 8.699312 8.099912 1.079210 10.162155 10.601377 4.163501 7.182711 6.395038 6.862779 7.306497 6.712959 7.503534 5.844599 6.885003 5.864492 8.283080 7.646712 8.657414 8.554313 9.077220 2.757862 4.193178 9.546961 8.378201 0.000000 5.056033 6.381974 6.264514 9.544200 7.394335 9.420161 11.229696 6.665191 6.249290 6.932312 5.842057 8.749067 7.566383 5.838931 4.728518 3.534260 4.558262 2.193026 9.321813 10.628699 4.351290 5.587893 10.483048 1.089505 2.084803 7.499127 5.482422 6.004997 7.842399 6.830634 8.013984 7.565358 8.350434 4.876626 5.643617 3.827718 3.862290 4.107933 2.497548 2.489592 8.583873 11.089578 3.647881 6.205586 10.938851 0.000000 6.238653 6.473067 6.754207 10.370439 8.339414 10.313711 12.180700 7.851290 7.834297 7.786998 6.761599 9.635247 9.239841 6.419816 5.580362 4.077438 5.234854 3.516335 10.060742 11.631278 4.348036 5.303638 11.275794 2.108237 1.085630 8.709863 7.087475 7.742717 8.520512 7.949346 9.540820 9.433477 10.005147 5.970499 6.171938 3.948400 4.004970 5.235517 4.116267 4.124861 9.161838 12.187592 3.335450 5.520780 11.648262 2.410156 0.000000 5.034977 5.452893 5.270413 9.321079 7.269083 9.012926 10.772993 6.752329 7.037708 6.953588 5.466333 8.495855 8.526871 5.596332 4.188667 2.692995 4.655250 2.838094 8.593089 10.341802 3.674169 4.327600 9.766169 2.125013 1.085360 7.512317 6.476354 6.943469 7.688278 7.321248 8.849347 8.903363 9.161077 4.734538 4.574486 2.431683 2.483280 4.918845 3.592390 3.610606 7.632398 11.003477 2.918823 4.442086 10.054830 3.073035 1.845164 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3991135 0.1419416 0.1295547 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= 1.21D-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= 705 705 705 705 705 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.28984308583 -1165.28984308564 0.000000000191 -1165.28984309 2 1.160432754776e+03 -7.401710807788e+03 2.733203549020e+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 4.9703 249.45 0.0516 0.000 92 93 0.69796 -1165.10718975 2 Singlet-A 5.1793 239.38 0.0955 0.000 91 93 0.68151 3 Singlet-A 5.2858 234.56 0.0531 0.000 92 94 0.65828 92 95 -0.22792 4 Singlet-A 5.6378 219.91 0.0015 0.000 91 94 0.67725 91 95 -0.15600 5 Singlet-A 5.7576 215.34 0.2195 0.000 89 93 -0.44888 92 94 0.12941 92 95 0.46052 6 Singlet-A 5.8001 213.76 0.0593 0.000 84 93 0.13539 85 94 0.16969 86 94 0.15307 87 93 0.35888 89 93 -0.17689 89 94 0.17371 92 94 -0.13678 92 95 -0.34103 7 Singlet-A 5.8153 213.20 0.0115 0.000 84 93 -0.13781 85 94 0.12230 86 94 0.11770 87 93 -0.28201 87 94 -0.11472 88 93 0.11032 89 94 0.18755 92 96 -0.15032 92 97 0.43237 8 Singlet-A 5.8232 212.91 0.0084 0.000 85 94 -0.17057 86 93 0.10382 86 94 -0.15476 87 93 0.20459 87 94 0.12477 89 94 -0.24104 92 96 -0.19279 92 97 0.42437 92 100 -0.11237 9 Singlet-A 5.8901 210.50 0.0044 0.000 90 93 0.66775 90 94 -0.14074 10 Singlet-A 5.8906 210.48 0.0028 0.000 92 96 0.65125 92 97 0.22328 92 99 0.10010 PT74842.300S Wed Jan 12 07:36:12 2022 GINC-CIBELES2-310 PAULAPLA 12-Jan-2022 0 Electronic spectrum pefurazoate CONF1149 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.2898431 RMSD=2.217e-10 PG=C01[X(C18H23N3O4)] 0 1.1207197543 -1.4823217593 1.146382071 0 -2.2454591131 -0.2948100613 -1.5506059826 0 0.6498669217 -0.9758809151 -0.9974729263 0 -0.3899034121 3.6503198901 -1.2513456764 0 -0.1537265822 1.6184451854 -0.2214351154 0 1.6934932196 2.7132948292 -1.2302470637 0 3.6887271612 3.6026246404 -1.621895185 0 0.699668866 0.8007315923 0.6584392953 0 0.348555111 0.9753938081 2.147776596 0 -1.6244556694 1.5155291521 -0.048529883 0 0.7770487627 -0.6500810539 0.1627900193 0 0.299854351 2.7031555678 -0.9000674836 0 0.4541657253 2.4343279562 2.5939910153 0 -2.1443587327 0.1400158694 -0.254116969 0 1.3988566723 -2.8776328051 0.8046957855 0 0.1329368273 -3.716592016 0.7839442895 0 -2.5757379117 -0.8360938665 0.591158081 0 -0.6061115374 -3.709199761 2.1224539208 0 2.4790304455 1.6974128304 -1.7673297271 0 2.4777694459 3.8413744411 -1.1834815184 0 -2.961735203 -1.9491201886 -0.2278725557 0 -2.7342338169 -1.5703173866 -1.5119517359 0 3.6955911406 2.268327999 -1.9992321289 0 -1.8179292493 -4.5947340672 2.2103030969 0 -2.3205947062 -5.365250356 1.2455552667 0 1.7247893981 1.1583627422 0.5432853099 0 -0.6459882971 0.5745267828 2.3552515256 0 1.0521359749 0.3665285694 2.717009243 0 -2.0774238578 2.1899176714 -0.7723094113 0 -1.910032112 1.8618745087 0.9459167101 0 -0.2516126662 3.0812955206 2.0657169444 0 0.2450987701 2.5196419951 3.6635915958 0 1.461310424 2.8253671189 2.4167131863 0 2.0808111742 -3.201926802 1.5916146694 0 1.9153905116 -2.9052767872 -0.1552502816 0 0.4370062751 -4.7375776031 0.5264001556 0 -0.5217407606 -3.3653787554 -0.0175233822 0 -2.6088735733 -0.7715727968 1.667375099 0 -0.9128089946 -2.6840196405 2.3651290075 0 0.0871497866 -3.9969293203 2.9252543025 0 2.0856735561 0.7114834961 -1.9476149488 0 2.0968623674 4.7779596896 -0.807905448 0 -3.3390501192 -2.9038456682 0.1022943324 0 -2.8630170121 -2.0565724352 -2.4655827819 0 4.5723083855 1.8045827867 -2.4246735723 0 -2.3198015296 -4.5810186499 3.1772344234 0 -3.2081032651 -5.9666356059 1.4165987589 0 -1.8792387115 -5.4267186719 0.2558921553 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/CONF1149/ #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 CONF1149 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 2342.8430177983 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 -0.0607270289 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 4.473823 0.000000 2.252620 3.025347 0.000000 5.863027 4.369976 4.748401 0.000000 3.620759 3.130908 2.824628 2.290199 0.000000 4.855887 4.966555 3.841010 2.284514 2.372471 0.000000 6.333617 7.099975 5.530578 4.095706 4.545625 2.219291 0.000000 2.372278 3.841077 2.429172 3.599250 1.473472 2.865785 4.688816 0.000000 2.763946 4.692586 3.713604 4.388004 2.505787 4.029913 5.680626 1.540102 0.000000 4.236852 2.432942 3.504306 2.743760 1.484430 3.720199 5.921263 2.532251 3.001380 0.000000 1.333487 3.492492 1.211830 4.674934 2.481972 3.754027 5.454217 1.535094 2.601143 3.240640 0.000000 4.730750 3.986178 3.696932 1.223226 1.357525 1.432254 3.579740 2.491588 3.503839 2.416307 3.549870 0.000000 4.228476 5.649235 4.956454 4.120401 2.993630 4.029709 5.440680 2.544655 1.529297 3.485366 3.940631 3.507781 0.000000 3.905652 1.371196 3.099274 4.049051 2.479806 4.722680 6.919925 3.059052 3.561119 1.484790 3.054945 3.600155 4.486415 0.000000 1.463217 5.049699 2.724969 7.073976 4.866023 5.957036 7.288730 3.747081 4.213409 5.400767 2.400141 5.937948 5.684272 4.773014 0.000000 2.469623 4.776556 3.309405 7.660754 5.436505 6.916339 8.485437 4.554465 4.890937 5.581804 3.194402 6.639045 6.419757 4.597507 1.518827 0.000000 3.793374 2.233657 3.598307 5.319831 3.542768 5.843117 7.990203 3.662242 3.775717 2.616155 3.385156 4.797819 4.887465 1.361385 4.473352 3.958706 0.000000 2.982222 5.276067 4.333873 8.098876 5.838002 7.601133 9.269766 4.918118 4.780946 5.748738 3.887367 7.146657 6.252157 4.778154 2.539269 1.529005 3.805132 0.000000 4.521663 5.131932 3.329417 3.508685 3.054085 1.391956 2.261493 3.139191 4.515340 4.452634 3.483221 2.551954 4.864590 5.107938 5.358464 6.428421 6.126321 7.340298 0.000000 5.967545 6.289013 5.155752 2.874831 3.576551 1.374714 1.309819 3.974899 4.883101 4.850353 4.987792 2.473698 4.510438 5.993984 7.089567 8.154254 7.110977 8.800608 2.222038 0.000000 4.332772 2.235938 3.818789 6.246242 4.540097 6.664384 8.774612 4.664023 5.015427 3.718101 3.977264 5.721318 6.232649 2.243498 4.576363 3.704690 1.434794 3.764423 6.728229 8.001951 0.000000 4.683498 1.366497 3.474217 5.728774 4.300309 6.167127 8.247778 4.703632 5.420133 3.591053 3.997587 5.276615 6.562152 2.203484 4.915116 4.254210 2.233221 4.723624 6.158036 7.520590 1.357979 0.000000 5.531024 6.485909 4.561233 4.377271 4.289540 2.190372 1.386643 4.265279 5.483795 5.716191 4.659328 3.595590 5.624242 6.456017 6.294276 7.500523 7.461711 8.439418 1.363724 2.150119 8.077412 7.504351 0.000000 4.410748 5.728574 5.429175 9.055561 6.876519 8.807653 10.592719 6.152856 5.976946 6.517290 5.146504 8.210883 7.397117 5.347689 3.907925 2.571286 4.162125 1.503460 8.595146 10.056775 3.775217 4.882816 9.758110 0.000000 5.189375 5.790814 5.755118 9.552099 7.457840 9.354432 11.169467 6.891011 6.938453 7.035936 5.744615 8.750407 8.387550 5.708593 4.496323 2.991818 4.583295 2.539864 9.055114 10.662385 3.775182 4.709189 10.246690 1.333082 0.000000 2.775219 4.717941 2.843306 3.728602 2.079734 2.358858 3.810443 1.091802 2.121766 3.419833 2.076887 2.549528 2.729096 4.079606 4.057564 5.133916 4.740747 5.623170 2.489658 3.278301 5.675795 5.617169 3.403010 6.959018 7.708167 0.000000 2.968712 4.309266 3.914558 4.746960 2.823367 4.785740 6.616406 2.177414 1.092180 2.760625 2.886449 4.002847 2.173982 3.040184 4.301514 4.635669 2.970826 4.290233 5.293609 5.740452 4.289989 4.890438 6.378072 5.302425 6.270302 3.040505 0.000000 2.426895 5.433603 3.970046 5.348888 3.414067 4.636754 6.020799 2.133184 1.090765 4.016535 2.762825 4.371384 2.156037 4.369952 3.781764 4.610156 4.373444 4.440140 4.890458 5.414870 5.490512 5.997673 5.731285 5.753968 6.811298 2.409261 1.748645 0.000000 5.234008 2.609186 4.184626 2.282537 2.081022 3.834507 5.997169 3.418936 3.985893 1.088043 4.133766 2.435403 4.219083 2.115443 6.344410 6.495728 3.356204 6.733795 4.689766 4.862732 4.267324 3.888166 5.902473 7.415849 7.823776 4.153519 3.800017 5.029338 0.000000 4.517664 3.316086 4.287505 3.215166 2.122870 4.294881 6.400779 2.831820 2.707680 1.091070 3.760799 2.999835 2.938245 2.111821 5.782008 5.943000 2.801437 5.841345 5.162618 5.263607 4.124020 4.301205 6.345244 6.579890 7.244976 3.724106 2.289388 3.761285 1.757252 0.000000 4.853357 5.333976 5.162991 3.368355 2.716722 3.844768 5.421858 2.843649 2.191291 2.967551 4.313055 3.040227 1.093510 4.197052 6.310551 6.928354 4.787674 6.799979 4.905486 4.310979 6.157142 6.371862 5.724085 7.835540 8.734843 3.149862 2.554066 3.081218 3.490349 2.343351 0.000000 4.808198 6.427431 5.840209 5.083136 4.008073 5.107348 6.400609 3.491737 2.166357 4.275900 4.752444 4.567676 1.093176 5.169194 6.215707 6.869903 5.353310 6.472877 5.929706 5.497810 6.737738 7.238124 6.636010 7.548674 8.637199 3.711991 2.507840 2.486609 5.017972 3.530298 1.765044 0.000000 4.503990 6.262209 5.173451 4.190727 3.320366 3.656062 4.677165 2.787611 2.175535 4.161136 4.198467 3.516383 1.094842 5.229273 5.926779 6.872244 5.747757 6.860130 4.451320 3.876450 7.025162 7.235955 4.980249 8.115043 9.097287 2.521519 3.083953 2.510675 4.805861 3.802303 1.767146 1.768430 0.000000 2.019170 6.086172 3.702196 7.819216 5.613938 6.565270 7.695061 4.335856 4.556318 6.218799 3.202070 6.652089 5.951311 5.694503 1.090628 2.170582 5.318038 2.785439 5.953538 7.580688 5.505210 5.956419 6.739836 4.186032 4.916513 4.498652 4.720188 3.880536 7.207707 6.479648 6.718918 6.356043 6.114969 0.000000 2.085797 5.106293 2.456310 7.035030 4.974906 5.724789 6.902793 3.984290 4.776872 5.664400 2.546150 5.883810 6.181010 5.075938 1.090444 2.171971 5.000888 3.491733 4.909302 6.847688 4.970499 5.024118 5.773696 4.731573 5.094830 4.127644 4.997231 4.438445 6.502641 6.210649 6.742970 6.841284 6.297735 1.779579 0.000000 3.383568 5.589969 4.064217 8.613999 6.427072 7.757581 9.205859 5.546106 5.939253 6.609199 4.117702 7.577475 7.464011 5.573470 2.112345 1.095992 4.929746 2.166343 7.130229 8.982585 4.460478 4.923736 8.128955 2.817919 2.918136 6.034963 5.721541 5.588296 7.483261 7.016933 7.998654 7.908605 7.862609 2.488976 2.451039 0.000000 2.756493 3.840565 2.835959 7.124586 5.001551 6.582418 8.297899 4.393773 4.928311 5.004019 3.015329 6.187165 6.434982 3.869969 2.145375 1.092842 3.314616 2.169063 6.139895 7.892643 2.829065 3.217248 7.311068 2.855631 2.971654 5.081893 4.600908 4.886910 5.818176 5.493610 6.780300 6.983704 6.941422 3.064199 2.484003 1.760107 0.000000 3.832292 3.273343 4.214564 5.744205 3.912485 6.249070 8.343421 3.799545 3.468294 3.023945 3.707156 5.208282 4.529749 2.176901 4.608862 4.119601 1.078658 3.584383 6.616635 7.435093 2.259003 3.280522 7.901347 3.941691 4.622003 4.875332 2.477514 3.974921 3.873619 2.818497 4.534308 4.791882 5.483236 5.282566 5.323873 5.129172 3.731332 0.000000 2.657943 4.776741 4.082497 7.312741 5.077177 6.989316 8.751708 4.201948 3.876801 4.895753 3.441340 6.415116 5.302686 4.043803 2.795753 2.158688 3.054036 1.097246 6.912217 8.165135 3.385533 4.426023 8.050512 2.119916 3.228669 5.003993 3.269467 3.645638 5.912285 4.865570 5.810825 5.486789 5.999371 3.135014 3.794730 3.069206 2.508828 2.649707 0.000000 3.248985 6.259399 4.983089 8.726511 6.441437 8.054542 9.560395 5.341459 5.039524 6.493087 4.394151 7.718126 6.450233 5.674711 2.733161 2.160068 4.746563 1.099040 7.756737 9.167103 4.840602 5.791153 8.747849 2.120814 3.238970 5.910387 4.664826 4.473738 7.525585 6.498623 7.138265 6.560167 6.977869 2.526917 3.744820 2.534849 3.070756 4.387907 1.742811 0.000000 3.913660 4.464186 2.410707 3.905129 2.969375 2.162330 3.321833 2.953048 4.456396 4.244770 2.831990 2.872849 5.124080 4.592133 4.574788 5.557198 5.528935 6.584346 1.076703 3.245590 5.959250 5.350507 2.240148 7.789887 8.157097 2.556271 5.098568 4.790189 4.571487 5.065727 5.213995 6.175985 4.889345 5.276452 4.040114 6.207344 5.210055 6.107895 6.254606 7.064567 0.000000 6.630476 6.718657 5.936027 2.766264 3.923217 2.145675 2.139632 4.463257 5.123684 5.006827 5.669902 2.746369 4.445668 6.309133 7.854667 8.862753 7.436946 9.376830 3.249049 1.078582 8.436792 8.008483 3.205221 10.596347 11.252348 3.881448 5.932760 5.742578 4.911608 5.256867 4.080651 5.340722 3.822919 8.332859 7.713042 9.750946 8.590445 7.685589 8.649127 9.745466 4.223185 0.000000 4.795873 3.276444 4.564865 7.313473 5.540957 7.658618 9.731220 5.508579 5.729828 4.742727 4.693121 6.759055 7.006649 3.289287 4.789762 3.630413 2.257705 3.492648 7.649649 8.999256 1.078368 2.179424 8.980756 3.101066 2.898760 6.506803 4.942416 6.067503 5.320062 5.046373 7.014928 7.412367 7.824569 5.628661 5.260749 4.219128 2.857377 2.743943 3.324965 4.571956 6.833766 9.454509 0.000000 5.407977 2.079030 3.957726 6.337135 5.087456 6.711145 8.698487 5.533212 6.386713 4.487325 4.704959 5.925336 7.534665 3.198758 5.434375 4.721317 3.303901 5.373535 6.566387 8.059377 2.242463 1.078166 7.870044 5.422027 5.001412 6.359014 5.922697 6.932467 4.638643 5.282115 7.331425 8.256446 8.146776 6.497240 5.375045 5.199029 3.631466 4.335568 5.247169 6.444346 5.693853 8.605761 2.745628 0.000000 5.955640 7.187030 5.015319 5.422821 5.217692 3.246535 2.158269 5.050806 6.279725 6.643004 5.208103 4.624470 6.522474 7.252290 6.513276 7.777314 8.195302 8.825769 2.196679 3.174299 8.699312 8.099912 1.079210 10.162155 10.601377 4.163501 7.182711 6.395038 6.862779 7.306497 6.712959 7.503534 5.844599 6.885003 5.864492 8.283080 7.646712 8.657414 8.554313 9.077220 2.757862 4.193178 9.546961 8.378201 0.000000 5.056033 6.381974 6.264514 9.544200 7.394335 9.420161 11.229696 6.665191 6.249290 6.932312 5.842057 8.749067 7.566383 5.838931 4.728518 3.534260 4.558262 2.193026 9.321813 10.628699 4.351290 5.587893 10.483048 1.089505 2.084803 7.499127 5.482422 6.004997 7.842399 6.830634 8.013984 7.565358 8.350434 4.876626 5.643617 3.827718 3.862290 4.107933 2.497548 2.489592 8.583873 11.089578 3.647881 6.205586 10.938851 0.000000 6.238653 6.473067 6.754207 10.370439 8.339414 10.313711 12.180700 7.851290 7.834297 7.786998 6.761599 9.635247 9.239841 6.419816 5.580362 4.077438 5.234854 3.516335 10.060742 11.631278 4.348036 5.303638 11.275794 2.108237 1.085630 8.709863 7.087475 7.742717 8.520512 7.949346 9.540820 9.433477 10.005147 5.970499 6.171938 3.948400 4.004970 5.235517 4.116267 4.124861 9.161838 12.187592 3.335450 5.520780 11.648262 2.410156 0.000000 5.034977 5.452893 5.270413 9.321079 7.269083 9.012926 10.772993 6.752329 7.037708 6.953588 5.466333 8.495855 8.526871 5.596332 4.188667 2.692995 4.655250 2.838094 8.593089 10.341802 3.674169 4.327600 9.766169 2.125013 1.085360 7.512317 6.476354 6.943469 7.688278 7.321248 8.849347 8.903363 9.161077 4.734538 4.574486 2.431683 2.483280 4.918845 3.592390 3.610606 7.632398 11.003477 2.918823 4.442086 10.054830 3.073035 1.845164 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:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 0.3991135 0.1419416 0.1295547 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= 1.33D-06 NBF= 1182 NBsUse= 1181 1.00D-06 EigRej= 6.36D-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= 1300 1295 1295 1295 1300 MxSgAt= 48 MxSgA2= 48. 1 Closed 1 1 1 -1165.29610955454 -1165.36885521397 -0.072745659432 -1165.36888151066 -0.000026296686 -1165.36917578968 -0.000294279019 -1165.36921917891 -0.000043389233 -1165.36922463103 -0.000005452118 -1165.36922495255 -0.000000321517 -1165.36922498902 -0.000000036468 -1165.36922499155 -0.000000002535 -1165.36922499221 -0.000000000661 -1165.36922499219 0.000000000020 -1165.36922499 11 1.160083154791e+03 -7.401818842781e+03 2.733581802093e+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. PT57098.100S Wed Jan 12 08:10:17 2022 GINC-CIBELES2-310 PAULAPLA 12-Jan-2022 0 Single Point pefurazoate CONF1149 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1165.369225 RMSD=3.711e-09 Dipole=-0.7646243,-2.7706043,2.7140706 Quadrupole=-0.9246455,-5.8567073,6.7813528,-9.9197256,2.7395115,11.7476083 PG=C01 [X(C18H23N3O4)] 0 1.1207197543 -1.4823217593 1.146382071 0 -2.2454591131 -0.2948100613 -1.5506059826 0 0.6498669217 -0.9758809151 -0.9974729263 0 -0.3899034121 3.6503198901 -1.2513456764 0 -0.1537265822 1.6184451854 -0.2214351154 0 1.6934932196 2.7132948292 -1.2302470637 0 3.6887271612 3.6026246404 -1.621895185 0 0.699668866 0.8007315923 0.6584392953 0 0.348555111 0.9753938081 2.147776596 0 -1.6244556694 1.5155291521 -0.048529883 0 0.7770487627 -0.6500810539 0.1627900193 0 0.299854351 2.7031555678 -0.9000674836 0 0.4541657253 2.4343279562 2.5939910153 0 -2.1443587327 0.1400158694 -0.254116969 0 1.3988566723 -2.8776328051 0.8046957855 0 0.1329368273 -3.716592016 0.7839442895 0 -2.5757379117 -0.8360938665 0.591158081 0 -0.6061115374 -3.709199761 2.1224539208 0 2.4790304455 1.6974128304 -1.7673297271 0 2.4777694459 3.8413744411 -1.1834815184 0 -2.961735203 -1.9491201886 -0.2278725557 0 -2.7342338169 -1.5703173866 -1.5119517359 0 3.6955911406 2.268327999 -1.9992321289 0 -1.8179292493 -4.5947340672 2.2103030969 0 -2.3205947062 -5.365250356 1.2455552667 0 1.7247893981 1.1583627422 0.5432853099 0 -0.6459882971 0.5745267828 2.3552515256 0 1.0521359749 0.3665285694 2.717009243 0 -2.0774238578 2.1899176714 -0.7723094113 0 -1.910032112 1.8618745087 0.9459167101 0 -0.2516126662 3.0812955206 2.0657169444 0 0.2450987701 2.5196419951 3.6635915958 0 1.461310424 2.8253671189 2.4167131863 0 2.0808111742 -3.201926802 1.5916146694 0 1.9153905116 -2.9052767872 -0.1552502816 0 0.4370062751 -4.7375776031 0.5264001556 0 -0.5217407606 -3.3653787554 -0.0175233822 0 -2.6088735733 -0.7715727968 1.667375099 0 -0.9128089946 -2.6840196405 2.3651290075 0 0.0871497866 -3.9969293203 2.9252543025 0 2.0856735561 0.7114834961 -1.9476149488 0 2.0968623674 4.7779596896 -0.807905448 0 -3.3390501192 -2.9038456682 0.1022943324 0 -2.8630170121 -2.0565724352 -2.4655827819 0 4.5723083855 1.8045827867 -2.4246735723 0 -2.3198015296 -4.5810186499 3.1772344234 0 -3.2081032651 -5.9666356059 1.4165987589 0 -1.8792387115 -5.4267186719 0.2558921553