Gaussian 16 GINC-BELVIS26 APULGAR Optimization sedaxane_cis CONF11 octanol EM64L-G16RevC.01 18-Sep-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 43 43 87 87 642 (5D, 7F) 6-311+G(d,p) 123 123 C1[X(C18H19F2N3O)] C1[X(C18H19F2N3O)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 scrf=(smd,Solvent=n-Octanol) opt freq 312.20890639999976 0 1 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.698,1.1509,1.7077;1.4345,1.8789,-.3312;.5626,-2.892,-.0627;-.2194,-.767,.0397;4.282,-1.3144,-.7283;4.1028,-.0735,-.3007;-1.9545,2.2227,-.8331;-2.3578,2.5271,.5698;-2.0695,.8113,-1.3827;-2.9948,1.8919,-1.8528;-2.3831,3.9498,1.0424;-1.34,3.0056,1.5586;-2.5269,-.3073,-.516;-1.5843,-1.0748,.1863;-3.8742,-.6202,-.3629;-2.0023,-2.1,1.031;-4.2923,-1.6539,.461;-3.3509,-2.3892,1.1636;.7705,-1.6898,-.0791;2.1495,-1.1949,-.2506;2.823,.0254,-.0089;3.1524,-2.0258,-.7102;2.3484,1.3222,.5263;5.5874,-1.7667,-1.1562;-1.0989,2.79,-1.1858;-3.1404,1.8904,.9701;-1.2925,.5361,-2.0906;-4.0279,1.8781,-1.5262;-2.8635,2.2527,-2.8651;-3.1803,4.2523,1.7101;-2.069,4.7215,.3494;-.3255,3.1438,1.2103;-1.4151,2.6609,2.5823;-4.6145,-.0505,-.909;-1.2828,-2.6661,1.6034;-5.3468,-1.8787,.5538;-.006,.1931,-.1819;-3.6606,-3.1898,1.8227;3.1217,-3.0569,-1.0236;3.1636,2.0324,.6641;6.3017,-.9684,-.9823;5.8873,-2.6435,-.5869;5.5763,-2.0122,-2.2161; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-4182605/Gau-3201.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-4182605/" chk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/sedaxane_cis/octanol/C #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 sedaxane_cis CONF11 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 19 19 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 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 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 -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 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 20 20 21 22 23 24 24 24 23 23 19 14 19 37 6 22 24 21 8 9 10 25 11 12 26 10 13 27 28 29 12 30 31 32 33 14 15 16 17 34 18 35 18 36 38 20 21 22 23 39 40 41 42 43 1.3595 1.3712 1.2202 1.4068 1.3585 1.0082 1.3247 1.3351 1.4463 1.3164 1.4912 1.519 1.4938 1.0855 1.4993 1.4975 1.0854 1.4983 1.4871 1.0866 1.0835 1.0827 1.4986 1.083 1.0838 1.0815 1.0828 1.4039 1.3916 1.3925 1.3864 1.0821 1.3856 1.0797 1.3859 1.0822 1.0822 1.4751 1.4147 1.3811 1.481 1.078 1.0899 1.0852 1.0876 1.088 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 14 14 19 6 6 22 5 8 8 8 9 10 7 7 7 11 12 7 7 10 10 13 7 7 9 9 28 8 8 12 12 30 8 8 11 11 32 9 9 14 4 4 13 13 13 17 14 14 18 15 15 18 16 16 17 3 3 4 19 19 21 6 6 20 5 5 20 1 1 1 2 2 21 5 5 5 41 41 42 4 4 4 5 5 5 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 19 37 37 22 24 24 21 9 10 25 25 25 11 12 26 26 26 13 27 13 27 27 28 29 28 29 29 30 31 30 31 31 32 33 32 33 33 14 15 15 13 16 16 17 34 34 18 35 35 18 36 36 17 38 38 4 20 20 21 22 22 20 23 23 20 39 39 2 21 40 21 40 40 41 42 43 42 43 43 124.5683 115.8938 118.2528 112.3574 120.6977 126.9441 105.8669 120.641 119.9393 114.3398 115.3232 116.288 119.6604 120.1718 114.9722 115.3584 115.7212 120.7517 114.6368 122.3714 114.8239 114.1536 117.4534 118.685 119.015 117.31 113.6858 118.1501 117.9863 118.4267 117.8515 114.1186 117.7582 118.3812 117.4825 118.5494 114.2224 119.7527 122.0751 118.1699 118.6639 121.0309 120.2911 121.6705 119.2373 119.0884 120.2565 120.5009 119.2331 119.4723 119.9811 120.5463 120.1228 119.4215 120.4551 122.9533 119.4314 117.6113 135.6107 121.0446 103.3044 111.1128 117.2203 131.6467 107.3551 121.989 130.6543 106.0051 110.912 109.272 110.0656 108.2433 112.1241 108.4642 110.2517 110.464 109.1279 109.1916 109.3141 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 19 19 37 37 14 14 37 37 22 24 6 6 24 24 6 6 6 22 22 22 5 5 9 9 9 10 10 10 25 25 25 8 8 25 25 8 8 25 25 7 7 26 26 7 7 26 26 13 13 27 27 7 7 10 10 27 27 30 30 31 31 9 9 15 15 9 9 14 14 4 4 13 13 13 13 34 34 14 14 35 35 15 15 36 36 3 3 4 4 19 19 22 22 19 19 21 21 6 6 6 20 20 20 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 21 21 14 14 14 14 19 19 19 19 6 6 22 22 22 22 24 24 24 24 24 24 21 21 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 13 13 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 13 16 13 16 3 20 3 20 21 21 20 39 20 39 41 42 43 41 42 43 20 23 11 12 26 11 12 26 11 12 26 13 27 13 27 28 29 28 29 30 31 30 31 32 33 32 33 28 29 28 29 14 15 14 15 14 15 32 33 32 33 4 16 4 16 17 34 17 34 18 35 18 35 18 36 18 36 17 38 17 38 16 38 16 38 21 22 21 22 6 23 6 23 5 39 5 39 1 2 40 1 2 40 -138.9289 42.4325 27.8493 -150.7893 -0.3754 178.8928 -166.867 12.4012 -0.5331 179.1609 0.6231 -179.7906 -179.0477 0.5386 4.2046 123.6385 -115.4331 -176.1495 -56.7156 64.2128 0.2329 178.7901 -173.0975 116.4308 -29.1091 -102.7783 -173.2501 41.2101 42.4542 -28.0176 -173.5574 -2.831 -145.6455 141.2902 -1.5243 -0.438 142.72 -145.0231 -1.865 141.869 -2.1447 -1.9872 -146.0009 1.6143 -142.6114 146.9095 2.6838 1.9665 -141.4898 147.7611 4.3048 -91.7209 87.7107 -162.7393 16.6923 51.2594 -129.309 -144.3197 -0.2725 -0.0727 143.9746 -0.5088 178.1402 -179.9624 -1.3135 -179.1406 1.5737 0.2997 -178.9861 179.9747 1.1069 1.3581 -177.5097 0.6808 -179.5091 179.9676 -0.2223 -0.3584 179.9032 178.5237 -1.2147 -0.6527 179.083 179.5383 -0.726 -161.4542 15.8094 19.2509 -163.4855 177.7169 -0.566 0.1258 -178.1572 -178.4662 1.9963 -0.4328 -179.9703 -125.7286 117.2831 -3.2657 52.4701 -64.5182 174.933 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 666 A 642 A 1016 666 2107.4837024765 43 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= 642 RedAO= T EigKep= 1.50D-06 NBF= 642 NBsUse= 639 1.00D-06 EigRej= 8.44D-07 NBFU= 639 Berny optimization. local minimum Step number 29 out of a maximum of 238 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00031 0.00120 0.00671 0.00825 0.00924 0.01178 0.01406 0.01559 0.01689 0.01764 0.01944 0.01976 0.02034 0.02135 0.02227 0.02235 0.02254 0.02260 0.02271 0.02277 0.02278 0.02356 0.02405 0.02724 0.02833 0.03139 0.03151 0.03303 0.03487 0.03696 0.03875 0.03978 0.04069 0.04977 0.05611 0.06933 0.07775 0.07923 0.07961 0.10085 0.10175 0.10294 0.10395 0.10587 0.10965 0.11464 0.15017 0.15530 0.15674 0.15876 0.15964 0.15990 0.16000 0.16010 0.16017 0.16066 0.16082 0.16559 0.16850 0.17378 0.17771 0.17947 0.21963 0.22563 0.23417 0.23881 0.24040 0.24318 0.24622 0.24733 0.24773 0.25080 0.25837 0.26254 0.26696 0.26866 0.27742 0.28645 0.29451 0.30161 0.31358 0.32359 0.33648 0.34176 0.34572 0.34818 0.35124 0.35209 0.35320 0.35356 0.35365 0.35503 0.35539 0.35587 0.35638 0.35663 0.35669 0.35686 0.35730 0.35776 0.35896 0.36012 0.36226 0.36277 0.38613 0.42567 0.42727 0.43297 0.44887 0.46142 0.46681 0.46792 0.47610 0.47988 0.48199 0.48980 0.51185 0.52867 0.54800 0.57305 0.61312 0.91788 0.96603 -2.05724469e-09 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 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 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 2.60966 2.63255 2.33328 2.68487 2.57848 1.91043 2.54250 2.54254 2.75437 2.51610 2.82800 2.89661 2.84718 2.05195 2.85463 2.85373 2.05076 2.85258 2.82154 2.05286 2.04882 2.04886 2.85800 2.04946 2.05070 2.04624 2.04910 2.66607 2.64357 2.64040 2.63303 2.04721 2.62953 2.04366 2.63374 2.04939 2.04910 2.79927 2.68718 2.62548 2.80637 2.03692 2.05776 2.06094 2.05690 2.06116 2.18406 2.02196 2.06094 1.95783 2.09393 2.23143 1.83997 2.10425 2.09208 1.99473 2.00730 2.03998 2.09023 2.09799 2.00024 2.02063 2.02001 2.11224 1.98842 2.15433 2.00690 1.98256 2.03867 2.07492 2.06665 2.04772 1.99478 2.06343 2.05067 2.06585 2.05211 1.99967 2.04852 2.06222 2.05303 2.06630 2.00065 2.08538 2.14202 2.05575 2.07314 2.10155 2.10814 2.12259 2.07901 2.08149 2.09742 2.08510 2.10066 2.09043 2.09231 2.10044 2.09197 2.08799 2.10321 2.14519 2.09009 2.04786 2.35265 2.12400 1.80618 1.94313 2.04224 2.29765 1.87763 2.13391 2.27164 1.83500 1.94181 1.89752 1.92875 1.88469 1.97024 1.91063 1.89373 1.91306 1.91507 1.91585 1.91534 -2.38924 0.78065 0.55518 -2.55812 0.00004 3.13133 -2.94038 0.19092 -0.00787 3.13430 0.00843 -3.13561 -3.13379 0.00535 1.02801 3.11757 -1.07428 -2.11291 -0.02335 2.06798 0.00426 3.12857 3.13119 1.89860 -0.63231 -1.92770 3.12290 0.59199 0.62439 -0.60820 -3.13911 -0.07215 -2.53409 2.43038 -0.03156 -0.01350 2.49326 -2.55087 -0.04410 2.47741 -0.03998 -0.03535 -2.55274 0.02508 -2.48877 2.54945 0.03560 0.04175 -2.46635 2.60396 0.09586 -1.62441 1.50858 -2.87423 0.25876 0.83962 -2.31058 -2.52657 0.00146 -0.00282 2.52521 0.01017 3.12336 -3.12324 -0.01006 -3.13218 0.02373 0.00095 -3.12633 3.12484 -0.01083 0.01211 -3.12355 0.00616 -3.13425 3.13342 -0.00699 -0.00481 -3.14146 3.13080 -0.00585 -0.00422 3.13239 3.13619 -0.01039 -2.85659 0.25159 0.29496 -2.88005 3.11294 -0.00806 0.00059 -3.12041 -3.12244 0.02186 -0.00524 3.13906 -2.17656 2.07500 -0.03767 0.94350 -1.08813 3.08239 -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 0.00001 -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 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 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 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00002 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 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 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00002 -0.00001 0.00002 -0.00001 0.00001 -0.00002 -0.00004 0.00001 0.00001 0.00003 0.00000 0.00003 -0.00001 0.00000 -0.00001 -0.00004 0.00000 0.00002 0.00000 0.00001 -0.00001 0.00002 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00001 0.00001 -0.00000 -0.00001 -0.00002 0.00001 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00000 -0.00001 0.00001 -0.00001 -0.00000 -0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 0.00000 0.00001 0.00002 0.00001 -0.00001 -0.00002 0.00001 -0.00003 0.00002 0.00000 0.00000 0.00000 -0.00004 -0.00003 -0.00008 -0.00006 -0.00005 -0.00005 -0.00002 -0.00002 -0.00002 0.00008 0.00002 -0.00000 -0.00009 -0.00012 -0.00005 -0.00006 -0.00006 0.00008 0.00006 0.00006 0.00001 -0.00002 -0.00029 -0.00031 -0.00030 -0.00032 -0.00033 -0.00033 -0.00030 -0.00032 -0.00031 -0.00007 -0.00004 -0.00006 -0.00003 0.00002 0.00001 0.00000 -0.00001 -0.00003 -0.00003 -0.00002 -0.00001 -0.00001 -0.00001 -0.00001 -0.00001 -0.00004 -0.00004 0.00001 0.00001 0.00004 -0.00001 0.00005 0.00000 0.00000 -0.00004 0.00001 0.00001 0.00000 0.00000 -0.00007 -0.00008 -0.00003 -0.00004 0.00007 0.00005 0.00002 0.00001 0.00001 0.00002 0.00003 0.00003 0.00000 0.00000 0.00002 0.00002 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00002 -0.00002 -0.00002 0.00005 -0.00001 0.00006 -0.00001 -0.00006 -0.00002 -0.00000 0.00004 0.00004 0.00006 -0.00001 0.00001 0.00008 0.00007 0.00010 0.00003 0.00003 0.00005 -0.00001 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00002 -0.00000 -0.00001 0.00001 -0.00002 0.00000 -0.00002 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00001 -0.00000 0.00001 0.00001 -0.00000 -0.00002 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 0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00001 -0.00001 -0.00002 0.00002 0.00000 0.00001 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 0.00001 -0.00001 0.00003 -0.00002 -0.00000 0.00000 -0.00000 -0.00008 -0.00009 -0.00002 -0.00003 0.00001 0.00001 -0.00005 -0.00005 -0.00003 -0.00007 0.00004 -0.00001 0.00009 0.00003 0.00004 0.00005 0.00005 -0.00001 -0.00000 0.00000 0.00001 0.00005 -0.00001 -0.00001 -0.00000 -0.00001 -0.00002 -0.00001 -0.00002 -0.00002 -0.00002 -0.00001 -0.00005 0.00001 -0.00003 -0.00001 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00001 0.00002 -0.00003 -0.00002 -0.00005 -0.00002 -0.00005 -0.00002 -0.00000 0.00002 0.00001 0.00000 0.00000 0.00000 0.00003 0.00004 0.00000 0.00001 -0.00003 -0.00002 -0.00000 0.00000 -0.00001 0.00000 -0.00002 -0.00001 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00007 0.00005 0.00007 0.00005 -0.00001 -0.00005 0.00001 -0.00004 -0.00002 0.00005 -0.00003 0.00003 -0.00005 -0.00005 -0.00006 -0.00000 -0.00000 -0.00001 -0.00003 0.00002 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00003 0.00001 -0.00003 0.00000 0.00001 -0.00001 -0.00000 -0.00002 -0.00005 0.00001 0.00002 0.00003 0.00001 0.00003 -0.00001 -0.00000 -0.00002 -0.00003 0.00002 0.00001 -0.00002 0.00001 -0.00001 0.00003 -0.00000 0.00001 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00000 0.00002 0.00000 -0.00002 -0.00001 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00001 0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00012 -0.00012 -0.00010 -0.00010 -0.00004 -0.00004 -0.00006 -0.00007 -0.00006 0.00001 0.00006 -0.00002 -0.00001 -0.00009 -0.00000 -0.00001 -0.00001 0.00007 0.00006 0.00007 0.00003 0.00003 -0.00030 -0.00031 -0.00030 -0.00033 -0.00035 -0.00034 -0.00032 -0.00034 -0.00033 -0.00008 -0.00008 -0.00005 -0.00006 0.00001 0.00000 0.00000 0.00000 -0.00003 -0.00003 -0.00002 -0.00002 -0.00000 -0.00000 -0.00001 -0.00001 -0.00003 -0.00001 -0.00002 -0.00000 -0.00001 -0.00002 0.00000 -0.00002 -0.00000 -0.00002 0.00002 0.00001 0.00001 0.00000 -0.00004 -0.00005 -0.00003 -0.00003 0.00004 0.00003 0.00002 0.00001 0.00001 0.00002 0.00001 0.00002 0.00000 0.00000 0.00001 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00002 -0.00002 -0.00002 -0.00002 0.00012 0.00003 0.00013 0.00004 -0.00007 -0.00007 0.00001 0.00001 0.00002 0.00011 -0.00004 0.00005 0.00003 0.00002 0.00004 0.00003 0.00002 0.00004 2.60963 2.63257 2.33328 2.68486 2.57847 1.91043 2.54249 2.54255 2.75437 2.51609 2.82801 2.89661 2.84718 2.05194 2.85463 2.85373 2.05076 2.85257 2.82154 2.05286 2.04883 2.04886 2.85800 2.04946 2.05070 2.04624 2.04910 2.66608 2.64356 2.64040 2.63303 2.04721 2.62953 2.04366 2.63374 2.04939 2.04910 2.79927 2.68718 2.62547 2.80637 2.03692 2.05776 2.06093 2.05690 2.06116 2.18409 2.02196 2.06090 1.95783 2.09393 2.23142 1.83996 2.10423 2.09203 1.99474 2.00731 2.04001 2.09024 2.09802 2.00023 2.02063 2.01999 2.11221 1.98844 2.15434 2.00688 1.98257 2.03866 2.07495 2.06664 2.04773 1.99476 2.06344 2.05068 2.06585 2.05211 1.99966 2.04853 2.06221 2.05304 2.06630 2.00065 2.08538 2.14202 2.05576 2.07313 2.10156 2.10814 2.12259 2.07901 2.08150 2.09741 2.08511 2.10065 2.09043 2.09231 2.10044 2.09198 2.08799 2.10321 2.14521 2.09009 2.04783 2.35265 2.12400 1.80619 1.94314 2.04224 2.29764 1.87762 2.13390 2.27166 1.83501 1.94181 1.89753 1.92875 1.88468 1.97023 1.91062 1.89372 1.91307 1.91507 1.91586 1.91534 -2.38936 0.78053 0.55508 -2.55822 0.00000 3.13129 -2.94044 0.19085 -0.00793 3.13430 0.00849 -3.13563 -3.13380 0.00526 1.02801 3.11756 -1.07429 -2.11284 -0.02328 2.06805 0.00428 3.12860 3.13089 1.89829 -0.63262 -1.92803 3.12255 0.59165 0.62407 -0.60854 -3.13944 -0.07223 -2.53417 2.43033 -0.03162 -0.01350 2.49327 -2.55086 -0.04410 2.47738 -0.04001 -0.03537 -2.55276 0.02508 -2.48877 2.54943 0.03559 0.04173 -2.46636 2.60394 0.09585 -1.62441 1.50856 -2.87423 0.25874 0.83962 -2.31060 -2.52656 0.00148 -0.00282 2.52522 0.01012 3.12331 -3.12327 -0.01008 -3.13214 0.02376 0.00097 -3.12632 3.12484 -0.01081 0.01212 -3.12353 0.00616 -3.13425 3.13343 -0.00698 -0.00480 -3.14145 3.13080 -0.00585 -0.00423 3.13237 3.13617 -0.01040 -2.85646 0.25162 0.29509 -2.88001 3.11287 -0.00813 0.00059 -3.12040 -3.12242 0.02197 -0.00528 3.13911 -2.17653 2.07502 -0.03763 0.94353 -1.08811 3.08243 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000001 0.001380 0.000231 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.976543e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 20 20 21 22 23 24 24 24 23 23 19 14 19 37 6 22 24 21 8 9 10 25 11 12 26 10 13 27 28 29 12 30 31 32 33 14 15 16 17 34 18 35 18 36 38 20 21 22 23 39 40 41 42 43 1.381 1.3931 1.2347 1.4208 1.3645 1.011 1.3454 1.3455 1.4576 1.3315 1.4965 1.5328 1.5067 1.0858 1.5106 1.5101 1.0852 1.5095 1.4931 1.0863 1.0842 1.0842 1.5124 1.0845 1.0852 1.0828 1.0843 1.4108 1.3989 1.3972 1.3933 1.0833 1.3915 1.0815 1.3937 1.0845 1.0843 1.4813 1.422 1.3893 1.4851 1.0779 1.0889 1.0906 1.0885 1.0907 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 14 14 19 6 6 22 5 8 8 8 9 10 7 7 7 11 12 7 7 10 10 13 7 7 9 9 28 8 8 12 12 30 8 8 11 11 32 9 9 14 4 4 13 13 13 17 14 14 18 15 15 18 16 16 17 3 3 4 19 19 21 6 6 20 5 5 20 1 1 1 2 2 21 5 5 5 41 41 42 4 4 4 5 5 5 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 19 37 37 22 24 24 21 9 10 25 25 25 11 12 26 26 26 13 27 13 27 27 28 29 28 29 29 30 31 30 31 31 32 33 32 33 33 14 15 15 13 16 16 17 34 34 18 35 35 18 36 36 17 38 38 4 20 20 21 22 22 20 23 23 20 39 39 2 21 40 21 40 40 41 42 43 42 43 43 125.1372 115.8496 118.083 112.1752 119.9733 127.8515 105.4224 120.5644 119.8672 114.2896 115.0096 116.8823 119.7614 120.2058 114.6053 115.7737 115.738 121.0224 113.9281 123.4338 114.9871 113.5924 116.8075 118.8842 118.4101 117.3256 114.2922 118.226 117.4949 118.3642 117.5774 114.5725 117.3713 118.1566 117.63 118.3904 114.6289 119.4835 122.7287 117.786 118.7822 120.4099 120.7876 121.6154 119.1188 119.2608 120.1731 119.4674 120.3587 119.7729 119.8806 120.3465 119.8611 119.633 120.5053 122.9104 119.7533 117.3337 134.7971 121.6962 103.4868 111.3334 117.0116 131.6455 107.5802 122.264 130.1556 105.1377 111.2577 108.7199 110.5092 107.9849 112.8866 109.4708 108.5026 109.6104 109.7252 109.7704 109.7411 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 19 19 37 37 14 14 37 37 22 24 6 6 24 24 6 6 6 22 22 22 5 5 9 9 9 10 10 10 25 25 25 8 8 25 25 8 8 25 25 7 7 26 26 7 7 26 26 13 13 27 27 7 7 10 10 27 27 30 30 31 31 9 9 15 15 9 9 14 14 4 4 13 13 13 13 34 34 14 14 35 35 15 15 36 36 3 3 4 4 19 19 22 22 19 19 21 21 6 6 6 20 20 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 21 14 14 14 14 19 19 19 19 6 6 22 22 22 22 24 24 24 24 24 24 21 21 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 13 13 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 13 16 13 16 3 20 3 20 21 21 20 39 20 39 41 42 43 41 42 43 20 23 11 12 26 11 12 26 11 12 26 13 27 13 27 28 29 28 29 30 31 30 31 32 33 32 33 28 29 28 29 14 15 14 15 14 15 32 33 32 33 4 16 4 16 17 34 17 34 18 35 18 35 18 36 18 36 17 38 17 38 16 38 16 38 21 22 21 22 6 23 6 23 5 39 5 39 1 2 40 1 2 -136.8934 44.7278 31.8092 -146.5696 0.0021 179.4122 -168.4711 10.939 -0.4509 179.5819 0.4828 -179.6575 -179.5532 0.3065 58.9008 178.6238 -61.5518 -121.0607 -1.3377 118.4868 0.2439 179.254 179.4039 108.7818 -36.2289 -110.4488 178.929 33.9184 35.7751 -34.847 -179.8577 -4.1337 -145.1927 139.2507 -1.8083 -0.7736 142.8535 -146.1538 -2.5267 141.9451 -2.2909 -2.0253 -146.2613 1.437 -142.596 146.0724 2.0395 2.3923 -141.3114 149.1959 5.4921 -93.0716 86.4354 -164.6812 14.8258 48.1065 -132.3864 -144.7619 0.0839 -0.1617 144.6841 0.5826 178.9551 -178.9486 -0.5762 -179.4606 1.3593 0.0544 -179.1257 179.0399 -0.6203 0.6939 -178.9662 0.3528 -179.5795 179.5318 -0.4005 -0.2755 -179.9924 179.3816 -0.3353 -0.2416 179.4729 179.6904 -0.5952 -163.6703 14.4148 16.9001 -165.0148 178.3581 -0.4617 0.0336 -178.7862 -178.9029 1.2523 -0.3001 179.8551 -124.7076 118.8887 -2.1583 54.0584 -62.3453 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0448638316 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.698,1.1509,1.7077;1.4345,1.8789,-.3312;.5626,-2.892,-.0627;-.2194,-.767,.0397;4.282,-1.3144,-.7283;4.1028,-.0735,-.3007;-1.9545,2.2227,-.8331;-2.3578,2.5271,.5698;-2.0695,.8113,-1.3827;-2.9948,1.8919,-1.8528;-2.3831,3.9498,1.0424;-1.34,3.0056,1.5586;-2.5269,-.3073,-.516;-1.5843,-1.0748,.1863;-3.8742,-.6202,-.3629;-2.0023,-2.1,1.031;-4.2923,-1.6539,.461;-3.3509,-2.3892,1.1636;.7705,-1.6898,-.0791;2.1495,-1.195,-.2506;2.823,.0254,-.0089;3.1524,-2.0258,-.7102;2.3484,1.3222,.5263;5.5874,-1.7666,-1.1562;-1.0989,2.7899,-1.1858;-3.1403,1.8904,.9701;-1.2925,.5361,-2.0906;-4.0279,1.8781,-1.5262;-2.8635,2.2527,-2.8651;-3.1803,4.2523,1.71;-2.069,4.7215,.3494;-.3255,3.1438,1.2103;-1.4151,2.6609,2.5823;-4.6145,-.0504,-.909;-1.2828,-2.6661,1.6034;-5.3468,-1.8787,.5538;-.006,.1931,-.1819;-3.6606,-3.1898,1.8227;3.1217,-3.0569,-1.0236;3.1636,2.0324,.6641;6.3017,-.9684,-.9823;5.8873,-2.6436,-.5869;5.5763,-2.0121,-2.2161; 0.000000 2.180925 0.000000 4.557224 4.857359 0.000000 3.183810 3.142215 2.266703 0.000000 4.323002 4.296805 4.094594 4.599113 0.000000 3.363879 3.306413 4.531439 4.390707 1.324685 0.000000 4.576577 3.443181 5.752357 3.565147 7.170433 6.499739 0.000000 4.431530 3.951432 6.188411 3.962951 7.780042 7.018587 1.491162 0.000000 4.884665 3.810990 4.731296 2.817277 6.729631 6.328589 1.518981 2.615275 0.000000 5.937082 4.683435 6.224646 4.284194 8.030970 7.526497 1.493825 2.584284 1.498326 0.000000 4.993151 4.555139 7.530499 5.285299 8.675787 7.749640 2.585351 1.499269 3.978632 3.604345 0.000000 3.562513 3.540973 6.405500 4.218407 7.449710 6.523906 2.590521 1.497529 3.741455 3.951782 1.498649 0.000000 4.992089 4.528400 4.053577 2.417581 6.886217 6.637327 2.613228 3.040027 1.487139 2.615829 4.535636 4.085123 0.000000 4.247565 4.255032 2.823711 1.406823 5.941943 5.795068 3.471266 3.704012 2.500911 3.866410 5.159223 4.311954 1.403870 0.000000 6.202663 5.867577 4.993615 3.679789 8.193757 7.995917 3.462394 3.615966 2.519105 3.050226 5.008292 4.822960 1.391559 2.398290 0.000000 4.971706 5.431230 2.898618 2.436825 6.572960 6.569015 4.707692 4.663621 3.782306 5.023619 6.061726 5.175330 2.425314 1.392542 2.763444 0.000000 6.730845 6.775263 5.037607 4.189575 8.663011 8.576455 4.708240 4.608128 3.796975 4.428301 5.948417 5.624192 2.425785 2.782824 1.386409 2.401694 0.000000 6.190246 6.584141 4.131816 3.701472 7.936925 7.941289 5.215957 5.050674 4.285888 5.249173 6.413571 5.770944 2.799012 2.409074 2.394476 1.385631 1.385893 0.000000 3.481699 3.638666 1.220193 1.358549 3.590648 3.710232 4.827166 5.290565 4.002559 5.491125 6.558008 5.402124 3.602098 2.448190 4.774665 3.014763 5.091663 4.361108 0.000000 3.088928 3.156910 2.331023 2.424698 2.188580 2.252908 5.372357 5.902787 4.806948 6.209669 6.977396 5.752746 4.767302 3.761173 6.052057 4.438317 6.497215 5.803474 1.475099 0.000000 2.340703 2.338216 3.691023 3.144277 2.107392 1.316362 5.322782 5.782267 5.142167 6.382111 6.603727 5.354341 5.384191 4.546734 6.737522 5.374172 7.325864 6.732142 2.675735 1.414653 0.000000 4.248862 4.282697 2.806519 3.676422 1.335086 2.209686 6.644179 7.261566 5.980779 7.378518 8.331906 7.116458 5.936783 4.913662 7.174163 5.441288 7.545426 6.777576 2.486875 1.381087 2.192684 0.000000 1.359470 1.371237 4.614761 3.345923 3.502040 2.389508 4.601488 4.858215 4.839764 5.876630 5.436658 4.183723 5.245047 4.618185 6.579069 5.558299 7.277392 6.831020 3.453782 2.641827 1.481022 3.658523 0.000000 5.642776 5.587187 5.264087 6.012340 1.446281 2.408869 8.538077 9.194656 8.082382 9.355448 10.051821 8.839252 8.269282 7.328948 9.563687 7.905536 10.011798 9.255341 4.936422 3.600825 3.488472 2.489031 4.781496 0.000000 4.345236 2.824601 6.025516 3.863537 6.782929 6.003326 1.085484 2.176252 2.212706 2.201382 2.821177 2.763340 3.475750 4.129727 4.473091 5.444399 5.714657 6.116766 4.978694 5.225502 4.940553 6.441359 4.119341 8.091305 0.000000 4.949795 4.756336 6.135973 4.056981 8.261099 7.611493 2.183598 1.085354 2.801212 2.826659 2.195365 2.198036 2.723005 3.439234 2.935751 4.149953 3.761375 4.289162 5.404940 6.244345 6.324412 7.599913 5.535901 9.698868 3.102329 0.000000 4.873201 3.512129 4.393910 2.718087 6.029482 5.717035 2.205468 3.489581 1.086598 2.189226 4.760067 4.406520 2.171336 2.804416 3.314717 4.146990 4.506233 4.835807 3.641011 4.269620 4.640244 5.312819 4.552162 7.314927 2.436383 3.823188 0.000000 6.616081 5.591566 6.780041 4.894186 8.937669 8.450937 2.213132 2.757481 2.234699 1.083518 3.687115 4.244060 2.837168 4.198062 2.760199 5.144682 4.061290 5.089588 6.152121 7.016471 7.257374 8.213571 6.721501 10.289506 3.086470 2.649420 3.098690 0.000000 6.552232 5.003337 6.786778 4.954563 8.267260 7.779244 2.226266 3.482792 2.214874 1.082661 4.287130 4.738894 3.490733 4.692534 3.941595 5.904846 5.325973 6.165694 6.042447 6.622102 6.742069 7.690278 6.287384 9.512763 2.494545 3.862212 2.452455 1.813470 0.000000 5.780704 5.576390 8.257909 6.062154 9.623851 8.706246 3.476989 2.225456 4.758081 4.277813 1.082967 2.227995 5.115865 5.766044 5.340397 6.496159 6.138323 6.666113 7.356504 7.869119 7.540621 9.239866 6.368132 11.014297 3.854396 2.475393 5.640815 4.102235 5.003064 0.000000 5.365170 4.562730 8.066084 5.800054 8.827707 7.842570 2.766891 2.224274 4.276700 3.703178 1.083788 2.222195 5.123267 5.818892 5.683338 6.855816 6.752867 7.271108 7.025073 7.291125 6.790729 8.597245 5.576749 10.148066 2.651185 3.090047 4.906548 3.929364 4.130275 1.818414 0.000000 2.883350 2.659642 6.232198 4.083563 6.697907 5.678343 2.770818 2.218272 3.899443 4.251468 2.216167 1.081469 4.442561 4.519946 5.407003 5.508254 6.270115 6.306282 5.121257 5.204257 4.596063 6.519880 3.306915 8.042042 2.542479 3.090635 4.316348 4.774698 4.883044 3.102971 2.504048 0.000000 3.568799 4.149684 6.460781 4.432184 7.695378 6.799647 3.485333 2.226304 4.423806 4.770394 2.229195 1.082756 4.432322 4.441267 5.048421 5.041523 5.603105 5.591338 5.548693 5.966456 5.623271 7.325798 4.492548 9.089192 3.783449 2.483776 5.134730 4.931405 5.651386 2.531649 3.108006 1.817357 0.000000 6.938121 6.375447 5.965992 4.553028 8.987581 8.738498 3.499749 3.731417 2.728316 2.699399 4.978843 5.113802 2.139703 3.380983 1.082099 3.845494 2.133488 3.370821 5.689828 6.891638 7.492135 8.016584 7.240580 10.348134 4.528117 3.077506 3.574349 2.108191 3.492378 5.237348 5.552909 5.752376 5.456762 0.000000 4.844092 5.637650 2.496415 2.680020 6.183054 6.273089 5.503435 5.403138 4.650576 5.970932 6.730172 5.672193 3.406414 2.152033 3.842816 1.079724 3.374444 2.132383 2.828398 4.169166 5.167289 5.043126 5.500236 7.458092 6.130391 4.961202 4.888790 6.162798 6.830875 7.174694 7.534468 5.901355 5.417806 4.924839 0.000000 7.754924 7.803116 6.027262 5.271650 9.730115 9.658355 5.500204 5.324067 4.661163 5.053805 6.556929 6.396935 3.400804 3.864936 2.143065 3.385643 1.082179 2.148557 6.152849 7.570267 8.407601 8.593909 8.334442 11.067635 6.547293 4.387242 5.409430 4.492187 5.909658 6.604508 7.372166 7.132309 6.338825 2.453278 4.270594 0.000000 2.718731 2.222424 3.139334 1.008153 4.577906 4.119113 2.887915 3.397680 2.466227 3.822464 4.611113 3.566415 2.591749 2.057734 3.956910 3.273301 4.711396 4.434765 2.039285 2.564631 2.839217 3.895865 2.705481 6.006251 2.990965 3.745987 2.327224 4.563135 4.427983 5.489364 5.004539 3.278268 3.964390 4.671860 3.604514 5.775637 0.000000 6.897018 7.502698 4.634461 4.570625 8.550342 8.630759 6.265678 5.995867 5.367921 6.306855 7.294819 6.621044 3.881169 3.385535 3.380120 2.136453 2.147633 1.082220 5.049859 6.483411 7.465161 7.361140 7.625417 9.819535 7.167319 5.177471 5.899544 6.085568 7.227150 7.458431 8.203249 7.184173 6.312664 4.269396 2.444630 2.484460 5.368281 0.000000 5.214564 5.261896 2.738561 4.187775 2.114116 3.222661 7.326520 7.984079 6.483879 7.911414 9.146799 7.957876 6.302774 5.247748 7.437497 5.602884 7.690291 6.864718 2.879097 2.238184 3.258686 1.078021 4.709185 2.785952 7.212839 8.225800 5.790818 8.701935 8.210110 10.030543 9.451572 7.437838 8.141084 8.300640 5.143270 8.694383 4.588349 7.356519 0.000000 2.003552 2.001000 5.616407 4.435249 3.793531 2.499582 5.335995 5.544336 5.750332 6.654400 5.880884 4.693528 6.264916 5.694387 7.590889 6.625543 8.319896 7.889168 4.487148 3.504455 2.144121 4.284697 1.089935 4.860181 4.707926 6.312964 5.448332 7.519216 6.987844 6.801959 5.891556 3.702315 5.003856 8.204370 6.536744 9.366759 3.761023 8.670844 5.362005 0.000000 5.737736 5.676315 6.122366 6.603789 2.064843 2.469960 8.852689 9.466536 8.567666 9.765483 10.183972 8.980207 8.865602 7.972814 10.200640 8.619153 10.713825 9.989792 5.650698 4.222270 3.746542 3.333232 4.811592 1.085207 8.302719 10.056686 7.820708 10.728396 9.895520 11.154047 10.208703 8.101689 9.242666 10.954943 8.190988 11.784555 6.463460 10.585333 3.804654 4.643669 0.000000 6.100235 6.351752 5.356181 6.419171 2.088945 3.141899 9.232225 9.800793 8.710886 10.053085 10.701638 9.420675 8.732782 7.673517 9.971436 8.072047 10.281120 9.405976 5.229612 4.022749 4.104516 2.806489 5.430484 1.087643 8.870605 10.221488 7.995011 10.937900 10.282961 11.621072 10.882253 8.678804 9.565833 10.821940 7.497163 11.317706 6.552911 9.862334 2.830120 5.554142 1.770358 0.000000 6.359426 5.987289 5.527120 6.342700 2.091852 3.098153 8.749845 9.556007 8.193005 9.425414 10.464913 9.341377 8.453363 7.610813 9.730550 8.245396 10.231591 9.553000 5.269415 4.034146 4.074834 2.853685 5.390565 1.088026 8.287345 10.067879 7.327342 10.385120 9.478442 11.460202 10.505965 8.553084 9.682015 10.459882 7.878035 11.269642 6.337421 10.149819 2.922086 5.520489 1.771371 1.774702 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.24,-1.6103,-1.7393;.9533,-2.151,.354;1.3155,2.6652,-.1635;.0096,.8142,-.0826;4.5456,.2066,.3726;4.0227,-.9632,.0365;-2.3627,-1.5783,1.0829;-2.9353,-1.8311,-.2706;-2.0704,-.162,1.5476;-3.2035,-.9422,2.1412;-3.3599,-3.2182,-.6493;-2.1517,-2.6024,-1.2872;-2.2899,.9963,.6412;-1.2379,1.4594,-.1648;-3.5196,1.6415,.5511;-1.4417,2.5184,-1.0459;-3.7198,2.7096,-.3099;-2.6772,3.142,-1.114;1.209,1.4523,-.0834;2.424,.6242,.0346;2.742,-.739,-.1697;3.638,1.1857,.3783;1.912,-1.8909,-.5913;5.9517,.3228,.6903;-1.657,-2.3319,1.418;-3.5564,-1.0317,-.6619;-1.1977,-.0664,2.1879;-4.2201,-.6751,1.8781;-3.093,-1.2782,3.1644;-4.256,-3.3331,-1.2464;-3.2027,-4.0126,.0709;-1.1832,-2.9836,-.9935;-2.213,-2.297,-2.3242;-4.3378,1.3094,1.1765;-.6464,2.8512,-1.696;-4.6853,3.1965,-.3521;-.014,-.1572,.1862;-2.8202,3.9647,-1.8024;3.8964,2.2024,.6268;2.5051,-2.7942,-.7333;6.4224,-.6408,.5242;6.4225,1.0646,.0492;6.084,.6108,1.7312; 0.3641307 0.1691906 0.1322596 -24.70193 -24.70058 -19.10086 -14.41338 -14.35352 -14.35286 -10.34587 -10.29281 -10.22059 -10.22020 -10.21728 -10.20838 -10.19435 -10.18461 -10.17892 -10.17690 -10.17127 -10.17113 -10.16981 -10.16958 -10.16841 -10.16420 -10.16065 -10.15964 -1.27485 -1.21453 -1.09196 -1.06100 -0.95253 -0.88404 -0.87779 -0.85705 -0.84027 -0.81989 -0.76155 -0.75614 -0.75124 -0.70363 -0.66032 -0.64600 -0.63520 -0.62303 -0.60403 -0.59452 -0.58488 -0.58065 -0.57193 -0.56594 -0.55976 -0.55120 -0.53188 -0.51277 -0.50361 -0.49915 -0.49188 -0.48724 -0.47034 -0.46427 -0.45315 -0.44974 -0.44086 -0.43860 -0.43467 -0.42853 -0.42368 -0.42172 -0.41802 -0.40865 -0.40508 -0.38703 -0.38050 -0.36417 -0.35970 -0.35902 -0.35363 -0.34112 -0.33617 -0.33100 -0.31245 -0.30867 -0.28450 -0.28238 -0.27979 -0.27176 -0.26620 -0.24450 -0.22861 -0.04419 -0.01381 -0.01186 -0.00163 0.00579 0.01248 0.01589 0.01924 0.02141 0.03107 0.03440 0.03764 0.04224 0.04357 0.04881 0.05103 0.05524 0.05815 0.06434 0.06544 0.06954 0.07387 0.07618 0.08014 0.08270 0.08274 0.08733 0.09071 0.09307 0.10006 0.10890 0.11091 0.11274 0.11515 0.11960 0.12236 0.12380 0.12866 0.13139 0.13295 0.13708 0.14043 0.14134 0.14791 0.14974 0.15275 0.15457 0.15843 0.16288 0.16624 0.16799 0.16854 0.17100 0.17192 0.17211 0.17849 0.18101 0.18483 0.18787 0.19061 0.19131 0.19478 0.19740 0.19834 0.20246 0.20373 0.20567 0.20762 0.20935 0.21131 0.21579 0.22072 0.22261 0.22512 0.22531 0.22759 0.22933 0.23584 0.23656 0.23720 0.24328 0.24348 0.24584 0.24915 0.25052 0.25439 0.25659 0.26016 0.26521 0.26990 0.27097 0.27411 0.27766 0.27947 0.28145 0.28301 0.28444 0.28922 0.29268 0.29578 0.29971 0.30111 0.30568 0.30849 0.31120 0.31553 0.31818 0.32462 0.32945 0.33260 0.33362 0.33615 0.34107 0.34417 0.34628 0.35175 0.35665 0.35795 0.35969 0.36759 0.37323 0.37459 0.37879 0.38502 0.38724 0.39180 0.39356 0.39988 0.40563 0.41034 0.41682 0.42287 0.43458 0.43736 0.43930 0.44441 0.45416 0.45726 0.46659 0.47576 0.48307 0.49197 0.49499 0.50483 0.51679 0.52667 0.52814 0.53248 0.54244 0.54654 0.55268 0.55811 0.56257 0.56501 0.56705 0.57439 0.57867 0.58510 0.59600 0.60092 0.60584 0.60754 0.61981 0.62111 0.62542 0.63145 0.64105 0.64229 0.64648 0.65003 0.66188 0.66235 0.66697 0.66950 0.68050 0.68254 0.68403 0.69026 0.69132 0.69763 0.70006 0.70769 0.71200 0.71524 0.71730 0.72258 0.72606 0.72963 0.73280 0.73618 0.74380 0.74795 0.75410 0.75664 0.75837 0.76223 0.76562 0.77189 0.77852 0.79209 0.79476 0.80173 0.80747 0.81647 0.82082 0.82320 0.83241 0.84407 0.84865 0.85084 0.85609 0.86205 0.87092 0.88126 0.89110 0.89877 0.90606 0.90746 0.91380 0.92142 0.92556 0.93994 0.95399 0.96313 0.96670 0.97435 0.98636 0.98782 0.99393 1.00703 1.01598 1.02500 1.03723 1.04916 1.05567 1.06223 1.06368 1.06994 1.08222 1.09065 1.09558 1.10349 1.10998 1.12071 1.13416 1.15145 1.15393 1.16102 1.19085 1.19531 1.20860 1.21010 1.23763 1.23995 1.25116 1.26303 1.28090 1.28577 1.29084 1.30872 1.32188 1.32876 1.33946 1.34443 1.36074 1.36580 1.37336 1.38409 1.39600 1.41182 1.42436 1.42801 1.44688 1.45002 1.45731 1.47299 1.47904 1.49241 1.49596 1.50749 1.51155 1.52188 1.52343 1.53918 1.54967 1.55595 1.55770 1.56817 1.57210 1.57415 1.57787 1.58342 1.59013 1.59445 1.60040 1.60529 1.61228 1.61775 1.61990 1.63233 1.63746 1.64088 1.64171 1.65179 1.65547 1.67728 1.68180 1.69080 1.69425 1.70668 1.71690 1.72221 1.73499 1.74256 1.75162 1.75621 1.76324 1.76476 1.77066 1.78411 1.78554 1.79699 1.80316 1.81056 1.81783 1.82583 1.83817 1.84625 1.85342 1.86241 1.87527 1.88466 1.88633 1.89819 1.90927 1.92090 1.92489 1.93342 1.94063 1.95217 1.96231 1.97431 1.97858 1.98363 1.99401 1.99731 2.00778 2.01026 2.02015 2.03545 2.04637 2.05031 2.05485 2.06321 2.07667 2.09116 2.09462 2.11074 2.11471 2.13524 2.13877 2.14431 2.15081 2.15167 2.17200 2.18159 2.19425 2.21253 2.22099 2.23430 2.24513 2.26566 2.27461 2.27722 2.29315 2.31620 2.33250 2.33494 2.34075 2.35878 2.36782 2.38449 2.39715 2.40473 2.41944 2.43916 2.44357 2.44844 2.46148 2.46674 2.47380 2.48529 2.50116 2.51691 2.51860 2.53240 2.53700 2.59659 2.60674 2.62086 2.63270 2.63733 2.65406 2.66390 2.66661 2.67528 2.68478 2.69240 2.69623 2.70471 2.71516 2.72557 2.72834 2.74422 2.75366 2.76170 2.77006 2.77563 2.78279 2.79645 2.80242 2.81601 2.81980 2.82440 2.82704 2.83922 2.84922 2.86233 2.87760 2.88616 2.89004 2.89848 2.90162 2.91556 2.92659 2.93622 2.94421 2.95486 2.95883 2.96470 2.97567 2.98339 2.99270 3.01039 3.01445 3.01793 3.02349 3.03855 3.04418 3.07172 3.07921 3.09399 3.11517 3.13567 3.17246 3.19627 3.20957 3.22302 3.26002 3.27532 3.31663 3.34798 3.37454 3.39562 3.41186 3.41435 3.43698 3.45436 3.48740 3.51655 3.53126 3.56216 3.57351 3.59211 3.60086 3.62093 3.63749 3.65147 3.67937 3.70514 3.72000 3.74317 3.76205 3.77405 3.77800 3.81309 3.84307 3.85355 3.85936 3.87225 3.89384 3.90848 3.93701 3.96354 4.01255 4.03142 4.03629 4.05325 4.08315 4.09055 4.11153 4.16817 4.17404 4.21196 4.24297 4.31511 4.37491 4.40138 4.44871 4.56835 4.61038 4.67336 4.80131 4.86739 4.90532 4.93307 5.01562 5.10546 5.13274 5.28807 5.49041 5.80685 6.37592 6.41696 6.44220 6.48862 6.61527 6.72193 23.63644 23.69537 23.78287 23.89222 23.91237 23.92139 23.94425 23.94644 23.97031 23.98149 23.99006 24.00401 24.01495 24.02176 24.10035 24.12539 24.14448 24.22388 35.52394 35.60511 35.67811 50.05241 66.77475 66.83690 1-A. 4.0253 -2.2740 2.2474 5.1405 -96.5893 -151.1880 -139.5549 2.1075 6.2025 -2.5605 32.5215 -22.0773 -10.4442 2.1075 6.2025 -2.5605 242.1358 -60.9564 2.2761 7.6741 54.7123 36.4820 13.8173 -2.5328 -13.6252 19.0305 -5693.7677 -3140.3936 -862.9055 173.8542 201.9313 -124.1725 -56.0202 8.0079 -15.6111 -1672.9519 -1342.4870 -642.8618 37.5934 31.7189 15.5428 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6522,1.1525,1.7273;1.3205,1.8547,-.3341;.5583,-2.9294,-.1149;-.2219,-.7898,.0606;4.3037,-1.2826,-.7461;4.0968,-.0272,-.3086;-1.9631,2.2144,-.8818;-2.3958,2.5738,.505;-2.0854,.7726,-1.3874;-2.994,1.8541,-1.9197;-2.2547,3.9977,.9893;-1.3677,2.9127,1.5579;-2.5506,-.3224,-.4853;-1.6011,-1.0909,.2207;-3.9037,-.6221,-.295;-2.007,-2.1078,1.0888;-4.3124,-1.6424,.5614;-3.3601,-2.3853,1.2569;.7704,-1.7131,-.0964;2.1519,-1.2053,-.2628;2.7996,.0363,-.0155;3.1773,-2.0183,-.7294;2.2904,1.3265,.515;5.6364,-1.6969,-1.1666;-1.0839,2.7493,-1.228;-3.2728,2.0403,.8572;-1.2867,.4722,-2.0597;-4.0306,1.8596,-1.6019;-2.8399,2.1741,-2.9441;-3.038,4.4054,1.6188;-1.8008,4.7143,.3125;-.3272,2.9061,1.258;-1.5471,2.5799,2.5742;-4.6506,-.055,-.8373;-1.2616,-2.6726,1.632;-5.3689,-1.8553,.6827;.0002,.1814,-.1109;-3.6653,-3.1763,1.9328;3.1591,-3.0498,-1.0419;3.0736,2.0732,.6364;6.3342,-1.5723,-.3377;5.5963,-2.7446,-1.4588;5.958,-1.0901,-2.014; 0.000000 2.202849 0.000000 4.609976 4.849378 0.000000 3.172178 3.086821 2.284085 0.000000 4.367818 4.348806 4.139870 4.623284 0.000000 3.393018 3.354162 4.580518 4.401043 1.345435 0.000000 4.583186 3.348338 5.779610 3.597982 7.177777 6.486623 0.000000 4.461015 3.877126 6.276567 4.029540 7.830742 7.041411 1.496515 0.000000 4.880136 3.725671 4.723635 2.830317 6.742081 6.326407 1.532819 2.630969 0.000000 5.948189 4.596676 6.225582 4.312431 8.029525 7.511025 1.506662 2.599090 1.509523 0.000000 4.889130 4.373253 7.557484 5.283438 8.596812 7.630577 2.601117 1.510607 4.009811 3.688353 0.000000 3.499521 3.453258 6.374695 4.154885 7.421127 6.479754 2.606535 1.510131 3.710800 3.982409 1.512389 0.000000 4.973367 4.443872 4.074096 2.437056 6.926123 6.656293 2.633985 3.064719 1.493095 2.644168 4.574387 4.004949 0.000000 4.229323 4.185764 2.855784 1.420771 5.986541 5.820509 3.503110 3.760629 2.508642 3.898059 5.187645 4.227463 1.410826 0.000000 6.173105 5.781738 5.026425 3.702738 8.246285 8.022616 3.486571 3.623180 2.538677 3.098229 5.070615 4.728581 1.398916 2.405720 0.000000 4.942378 5.366401 2.950266 2.445520 6.623613 6.598297 4.750438 4.733842 3.799261 5.071706 6.111333 5.082745 2.441456 1.397238 2.778423 0.000000 6.689382 6.690406 5.083035 4.208327 8.722192 8.607027 4.740997 4.631701 3.819648 4.485499 6.018962 5.514840 2.437608 2.787693 1.393341 2.410366 0.000000 6.153096 6.512814 4.187050 3.718161 7.997611 7.976004 5.261416 5.107564 4.311523 5.310096 6.483488 5.668229 2.818812 2.417210 2.410895 1.391486 1.393715 0.000000 3.509340 3.617832 1.234719 1.364472 3.618258 3.735294 4.849164 5.363217 4.000119 5.497315 6.553094 5.357810 3.621335 2.472215 4.803830 3.045340 5.125685 4.398195 0.000000 3.125557 3.171721 2.352478 2.431506 2.206749 2.274296 5.386167 5.962590 4.809529 6.211768 6.932256 5.714861 4.789827 3.785809 6.083723 4.465159 6.531321 5.838174 1.481309 0.000000 2.366353 2.365539 3.718667 3.133299 2.129733 1.331460 5.308260 5.805311 5.127099 6.363670 6.499790 5.302336 5.382696 4.548923 6.741323 5.377681 7.330163 6.739776 2.680429 1.421995 0.000000 4.291315 4.313305 2.840270 3.699751 1.345457 2.233148 6.660592 7.326058 5.993208 7.382305 8.285695 7.085434 5.978689 4.959498 7.230435 5.494603 7.609465 6.842373 2.507432 1.389344 2.207684 0.000000 1.380973 1.393086 4.637840 3.316166 3.528686 2.402975 4.564154 4.849334 4.803499 5.842213 5.293136 4.121227 5.210991 4.590708 6.543691 5.530915 7.239722 6.801151 3.453089 2.652189 1.485068 3.677414 0.000000 5.689193 5.650999 5.330330 6.053788 1.457552 2.427780 8.551707 9.249267 8.110057 9.362743 9.967163 8.816305 8.329455 7.394161 9.639924 7.979741 10.097909 9.342588 4.982321 3.633185 3.518017 2.518215 4.812965 0.000000 4.332457 2.716699 6.015241 3.863844 6.746458 5.949313 1.085844 2.180707 2.221690 2.220034 2.801001 2.805094 3.484030 4.136894 4.493169 5.459983 5.736961 6.141656 4.963093 5.200075 4.889969 6.413814 4.055642 8.058191 0.000000 5.079485 4.748893 6.349785 4.237013 8.427091 7.742421 2.183950 1.085216 2.838220 2.797115 2.210260 2.209417 2.811827 3.606147 2.968872 4.343165 3.838073 4.444463 5.598677 6.419951 6.453782 7.784225 5.619200 9.870965 3.105201 0.000000 4.841671 3.418576 4.330951 2.687491 6.004809 5.683171 2.209154 3.496366 1.086325 2.200940 4.760483 4.364576 2.169738 2.782570 3.340740 4.133804 4.527342 4.843967 3.586358 4.226958 4.589833 5.282078 4.489415 7.309727 2.432699 3.861609 0.000000 6.624051 5.499216 6.797311 4.928482 8.947984 8.443203 2.217861 2.760723 2.238629 1.084191 3.799900 4.264311 2.863347 4.234389 2.807737 5.203421 4.125981 5.161544 6.170943 7.029245 7.245148 8.231285 6.687311 10.309644 3.100695 2.579567 3.108596 0.000000 6.560865 4.921684 6.752571 4.966619 8.234728 7.740141 2.241356 3.500508 2.226378 1.084211 4.374879 4.793854 3.515999 4.712851 3.996055 5.940759 5.387263 6.221470 6.021118 6.597551 6.704497 7.660826 6.245294 9.486373 2.521782 3.828244 2.467963 1.821581 0.000000 5.708892 5.414461 8.350893 6.111358 9.583684 8.617938 3.494100 2.237810 4.810644 4.362620 1.084527 2.240977 5.197776 5.850535 5.448658 6.615581 6.270405 6.807918 7.408256 7.871161 7.472429 9.241685 6.252149 10.965458 3.829600 2.495733 5.662917 4.223635 5.083156 0.000000 5.158660 4.282285 8.010867 5.731690 8.622584 7.592770 2.775297 2.230061 4.302123 3.819393 1.085183 2.232607 5.154374 5.809427 5.767939 6.869281 6.839475 7.329924 6.934741 7.141188 6.569237 8.437780 5.315629 9.929907 2.597803 3.100623 4.887476 4.097098 4.258906 1.825552 0.000000 2.685828 2.520938 6.059855 3.886504 6.557997 5.534508 2.780869 2.226340 3.826428 4.279809 2.231319 1.082825 4.290209 4.321505 5.258485 5.290563 6.087400 6.098977 4.937290 5.036107 4.431071 6.362532 3.146240 7.913953 2.603363 3.096252 4.225152 4.794704 4.950479 3.118724 2.516944 0.000000 3.604226 4.148137 6.481936 4.407839 7.757272 6.852831 3.500015 2.236446 4.387525 4.776565 2.241119 1.084338 4.334797 4.360807 4.902901 4.938893 5.433784 5.447490 5.561744 6.004876 5.663025 7.374115 4.531797 9.158962 3.834063 2.493404 5.097364 4.911822 5.682206 2.543198 3.120143 1.823986 0.000000 6.910913 6.289202 5.993017 4.578175 9.038520 8.763423 3.517770 3.714314 2.750954 2.749627 5.049829 5.032053 2.146049 3.389947 1.083336 3.861690 2.142572 3.388386 5.717114 6.922970 7.495906 8.071117 7.205164 10.422399 4.553918 3.026540 3.617733 2.152872 3.561759 5.341135 5.673605 5.643591 5.311517 0.000000 4.809434 5.570369 2.535614 2.663591 6.209666 6.283009 5.540177 5.484566 4.654502 6.008876 6.774318 5.586751 3.415736 2.146740 3.859799 1.081461 3.393346 2.151027 2.834931 4.170766 5.152217 5.070334 5.464144 7.507742 6.132536 5.182323 4.849626 6.218211 6.849929 7.297479 7.523173 5.668770 5.343940 4.943099 0.000000 7.709326 7.716565 6.076263 5.292774 9.794297 9.691421 5.532525 5.337299 4.687431 5.115818 6.636935 6.285611 3.414149 3.872138 2.150144 3.395764 1.084489 2.155419 6.190136 7.607820 8.413619 8.663626 8.295535 11.160684 6.573729 4.427124 5.440761 4.561880 5.982046 6.745716 7.485161 6.958463 6.152570 2.463159 4.294052 0.000000 2.655407 2.143121 3.160402 1.010957 4.589838 4.106655 2.929529 3.441499 2.515721 3.877559 4.567172 3.480800 2.626896 2.071990 3.990010 3.272386 4.730452 4.444144 2.045127 2.564297 2.804716 3.913468 2.635891 6.033951 3.002922 3.886596 2.353444 4.613795 4.479307 5.483166 4.895987 3.066822 3.918775 4.713140 3.574199 5.796980 0.000000 6.859768 7.436934 4.700259 4.588805 8.617854 8.671246 6.314996 6.059159 5.395726 6.371645 7.371971 6.518841 3.903124 3.397174 3.397625 2.145715 2.156970 1.084339 5.092524 6.522694 7.477367 7.433013 7.599686 9.915442 7.194970 5.340799 5.908455 6.163501 7.286472 7.614058 8.268247 6.970946 6.166979 4.288029 2.474236 2.492079 5.374649 0.000000 5.253368 5.285395 2.763705 4.213541 2.126136 3.248496 7.346716 8.054441 6.498806 7.917045 9.115962 7.924701 6.352055 5.300091 7.505621 5.667000 7.770111 6.944468 2.895920 2.241334 3.272086 1.077890 4.725527 2.825405 7.187969 8.419305 5.762436 8.723961 8.178937 10.052993 9.312154 7.274365 8.180289 8.366714 5.180170 8.782213 4.613612 7.445587 0.000000 2.014465 2.015738 5.649512 4.403292 3.832209 2.520258 5.262487 5.493892 5.692390 6.587776 5.676185 4.612908 6.215222 5.660215 7.537608 6.595299 8.268323 7.852126 4.492026 3.522258 2.156152 4.314703 1.088918 4.902224 4.606350 6.350364 5.370767 7.451564 6.913785 6.614879 5.553449 3.556108 5.036162 8.146460 6.504433 9.311867 3.685553 8.640058 5.391531 0.000000 5.797384 6.073035 5.937370 6.614620 2.091312 2.719182 9.136764 9.701196 8.802830 10.062746 10.322510 9.111909 8.973463 7.969502 10.281973 8.479170 10.684733 9.858135 5.570810 4.199004 3.896800 3.212163 5.048069 1.090600 8.631162 10.333110 8.076111 10.991132 10.246582 11.287125 10.301595 8.183948 9.372026 11.100330 7.923777 11.750872 6.576161 10.378690 3.572092 4.986967 0.000000 6.394857 6.379758 5.217468 6.323075 2.077534 3.309913 9.059229 9.798757 8.448923 9.754722 10.634337 9.465825 8.554909 7.573543 9.803544 8.043946 10.172453 9.365955 5.119515 3.957746 4.199795 2.628856 5.603510 1.088462 8.652247 10.340229 7.621359 10.672238 9.877710 11.625209 10.653191 8.625526 9.779742 10.612228 7.522551 11.207681 6.457105 9.872495 2.491374 5.827936 1.781982 0.000000 6.129130 5.744625 6.012209 6.525765 2.093143 2.739005 8.657146 9.463403 8.280026 9.424261 10.116985 9.079978 8.678861 7.882559 10.021354 8.608344 10.602808 9.960085 5.565671 4.191213 3.903654 3.200607 5.068308 1.090717 8.058995 10.161268 7.411426 10.423203 9.429923 11.150176 9.965114 8.135099 9.531369 10.723755 8.241358 11.668592 6.382289 10.608354 3.552356 5.034953 1.784319 1.782251 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.2057,-1.5635,-1.7908;.8754,-2.1021,.3195;1.3125,2.7119,-.0698;.0131,.8335,-.0894;4.5684,.1937,.3731;4.0215,-.9809,.0106;-2.3399,-1.6084,1.113;-2.9577,-1.8857,-.2215;-2.0588,-.1687,1.5578;-3.1625,-.9715,2.2029;-3.2144,-3.3122,-.6471;-2.1337,-2.5016,-1.327;-2.3074,.9826,.6402;-1.2561,1.4675,-.166;-3.5541,1.6078,.5317;-1.4641,2.5293,-1.0502;-3.7631,2.6739,-.3407;-2.7146,3.1336,-1.1355;1.2132,1.4814,-.046;2.4336,.647,.0464;2.7301,-.724,-.1872;3.663,1.1884,.4011;1.8752,-1.8588,-.6195;5.9915,.2707,.6789;-1.5967,-2.3375,1.4213;-3.6996,-1.1587,-.5358;-1.1595,-.0605,2.1575;-4.1898,-.7248,1.9593;-3.0116,-1.2914,3.2278;-4.1223,-3.5269,-1.2002;-2.9006,-4.1009,.0289;-1.1038,-2.7488,-1.1017;-2.3052,-2.1627,-2.3426;-4.3729,1.2622,1.1512;-.6475,2.8729,-1.6703;-4.7396,3.1423,-.3973;-.0005,-.1572,.1115;-2.8663,3.9568,-1.8248;3.9269,2.1995,.6654;2.4358,-2.7816,-.7606;6.5679,-.0484,-.1902;6.2368,1.3025,.9237;6.2186,-.3737,1.5291; 0.3617736 0.1686617 0.1322964 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= 662 662 662 662 662 MxSgAt= 43 MxSgA2= 43. 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= 642 RedAO= T EigKep= 1.58D-06 NBF= 642 NBsUse= 639 1.00D-06 EigRej= 9.36D-07 NBFU= 639 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= 664 664 664 664 664 MxSgAt= 43 MxSgA2= 43. 1 1.58367126e+00 -8.94674140e-01 8.84192321e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 9 9 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 -0.007671997 -0.000219023 0.013433880 -0.011206711 0.007169456 -0.007905358 -0.003854652 -0.020812954 0.000374173 0.001659439 0.004002656 0.000834175 0.008573340 -0.008990516 -0.004532025 0.012327697 0.015491531 0.002364105 0.004908936 0.005783465 0.002292019 -0.003994520 -0.004867723 -0.002139486 0.002579191 -0.006008002 -0.003477962 -0.007453583 0.003125950 -0.006708503 -0.004469546 0.009070808 0.000184203 0.007605507 -0.001827046 0.006536660 0.000095670 0.001432866 -0.002435683 -0.003324102 -0.000745084 0.000728067 -0.004334366 0.002155272 -0.002262041 0.001999016 -0.002851484 0.003920083 -0.004607650 -0.000651935 0.000137836 -0.001111407 -0.003901975 0.003296969 0.005663987 0.012981457 -0.000399797 -0.004288025 -0.000728196 0.000592779 -0.010087437 0.004462523 0.003969274 -0.003563622 -0.010199043 -0.002977605 0.013641639 -0.002801239 -0.004254073 0.007535440 -0.002495455 -0.002277318 0.000795854 0.000284684 0.000590917 0.000125570 -0.000400848 -0.000664385 0.000596130 -0.000361324 0.000586683 -0.000083568 -0.000273401 0.000835459 0.000271062 0.000490632 -0.001153881 -0.000923908 0.000359290 0.000800851 0.000513536 0.000423845 -0.001037496 0.001620428 -0.000507718 -0.000924820 -0.000063779 -0.000418212 0.001174012 -0.000348486 0.000477489 -0.000529154 0.002122992 0.000034077 -0.000814010 -0.001572538 -0.000424278 0.000178396 0.001676401 0.002849290 -0.000017315 -0.000452870 -0.001154383 0.001079355 -0.000602646 -0.000084761 0.000271885 -0.000100126 0.000591267 0.000622855 0.000693436 0.001805745 0.000562721 -0.000134188 -0.001958617 0.001466706 -0.000755544 -0.000309084 -0.002323145 0.020812954 0.004772822 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -1136.84604869284 -1136.84604918927 -0.000000496429 -1136.84604919132 -0.000000002050 -1136.84604919392 -0.000000002597 -1136.84604919410 -0.000000000180 -1136.84604919411 -0.000000000008 -1136.84604919405 0.000000000056 -1136.84604919 7 1.132195395568e+03 -6.857602014869e+03 2.488031897553e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773968486 LenY= 3773524264 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) PT265565.700S 2022-09-18T14:22:04.000 Mulliken charges: 1 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.096393 -0.088937 -0.432640 0.036228 0.148060 -0.219868 0.129377 -0.152185 -0.920242 -0.510752 -0.339817 -0.420144 1.287121 -0.095046 -0.433574 -0.008833 -0.507048 -0.150895 -0.503065 1.003940 -0.691164 0.064642 -0.258167 -0.324675 0.164977 0.178489 0.207616 0.156706 0.169099 0.161811 0.159307 0.163576 0.170403 0.147346 0.158221 0.152869 0.336788 0.155504 0.179778 0.238377 0.197397 0.191245 0.194565 -0.00000 -24.70287 -24.70042 -19.10180 -14.41622 -14.35747 -14.35414 -10.35095 -10.29627 -10.22773 -10.22667 -10.21971 -10.21224 -10.19887 -10.18823 -10.18059 -10.17888 -10.17400 -10.17324 -10.17273 -10.17250 -10.17164 -10.16721 -10.16314 -10.16096 -1.26643 -1.20937 -1.08155 -1.05307 -0.94788 -0.87874 -0.87469 -0.85355 -0.83503 -0.81736 -0.76088 -0.75505 -0.75025 -0.70333 -0.65806 -0.64517 -0.63295 -0.62039 -0.60360 -0.59427 -0.58393 -0.57918 -0.57123 -0.56159 -0.55719 -0.54907 -0.52955 -0.51045 -0.50090 -0.49506 -0.48963 -0.48595 -0.46893 -0.46320 -0.45080 -0.44844 -0.44100 -0.43720 -0.43500 -0.42711 -0.42301 -0.42083 -0.41759 -0.41094 -0.40313 -0.38646 -0.37965 -0.36869 -0.36018 -0.35984 -0.35423 -0.33973 -0.33675 -0.33292 -0.31152 -0.30579 -0.28518 -0.28343 -0.28063 -0.27118 -0.26602 -0.24436 -0.22886 -0.04677 -0.02083 -0.01500 -0.00487 0.00546 0.01244 0.01534 0.01924 0.02097 0.03126 0.03452 0.03711 0.04187 0.04311 0.04840 0.05056 0.05390 0.05687 0.06378 0.06491 0.06982 0.07279 0.07586 0.07935 0.08111 0.08272 0.08575 0.09091 0.09232 0.09818 0.10570 0.10967 0.11220 0.11359 0.11741 0.12078 0.12435 0.12948 0.13176 0.13254 0.13404 0.13954 0.14067 0.14669 0.15028 0.15264 0.15360 0.15875 0.16136 0.16443 0.16525 0.16735 0.16894 0.17048 0.17166 0.17672 0.17957 0.18385 0.18464 0.18729 0.19175 0.19373 0.19551 0.19592 0.19757 0.20137 0.20206 0.20436 0.20680 0.20894 0.21379 0.21872 0.21986 0.22201 0.22226 0.22847 0.23166 0.23390 0.23551 0.23713 0.23765 0.24296 0.24541 0.24717 0.25096 0.25416 0.25490 0.25687 0.26297 0.26638 0.26708 0.27269 0.27307 0.27515 0.27893 0.28172 0.28295 0.28791 0.29044 0.29244 0.29627 0.29834 0.30329 0.30783 0.30969 0.31291 0.31606 0.31693 0.32423 0.33017 0.33111 0.33367 0.33674 0.34501 0.34684 0.35049 0.35276 0.35469 0.35950 0.36666 0.36887 0.37226 0.37947 0.38537 0.38768 0.38872 0.39735 0.40201 0.40534 0.41424 0.41903 0.42438 0.43272 0.43784 0.43955 0.44500 0.45447 0.46240 0.46555 0.47378 0.48208 0.49015 0.49361 0.49645 0.50129 0.51722 0.51925 0.52652 0.53540 0.54246 0.54665 0.55481 0.55726 0.56208 0.56852 0.57204 0.57639 0.58439 0.59276 0.59582 0.60473 0.60601 0.61564 0.61809 0.62075 0.62174 0.62938 0.63239 0.64237 0.64808 0.65373 0.65929 0.66415 0.66574 0.67266 0.67817 0.68194 0.68282 0.68742 0.69727 0.70084 0.70804 0.71082 0.71181 0.71826 0.72187 0.72347 0.72915 0.73251 0.73756 0.73839 0.74691 0.74887 0.75266 0.75562 0.75842 0.76627 0.77323 0.77661 0.79131 0.79474 0.79827 0.80634 0.81334 0.81917 0.82577 0.82871 0.84899 0.85167 0.85184 0.85858 0.86228 0.87236 0.87853 0.88744 0.89673 0.90148 0.90641 0.91548 0.91892 0.92440 0.93764 0.95086 0.96362 0.96621 0.97189 0.98523 0.99467 0.99721 1.00031 1.01238 1.01591 1.02985 1.03840 1.05324 1.05985 1.06371 1.06923 1.07590 1.09005 1.09764 1.10862 1.11918 1.12307 1.13628 1.14923 1.15396 1.15634 1.18472 1.19335 1.20491 1.21399 1.23390 1.23656 1.24994 1.25768 1.27940 1.28867 1.29604 1.30543 1.31207 1.32693 1.33027 1.34275 1.35284 1.36075 1.37615 1.38595 1.39872 1.41313 1.42243 1.43331 1.44048 1.44814 1.45738 1.47055 1.47521 1.48943 1.49992 1.50562 1.50957 1.51535 1.51972 1.52711 1.53988 1.54418 1.55144 1.55459 1.56481 1.56658 1.57036 1.57510 1.57828 1.58542 1.59246 1.60018 1.60674 1.60946 1.61614 1.62325 1.62975 1.63709 1.64163 1.65052 1.65651 1.66853 1.67174 1.68283 1.68883 1.69458 1.70916 1.72853 1.73022 1.73091 1.74691 1.75441 1.76189 1.76335 1.76585 1.77702 1.78940 1.79315 1.79652 1.80551 1.81697 1.82380 1.84177 1.84414 1.84997 1.86582 1.87169 1.87947 1.88971 1.89802 1.90737 1.91969 1.92117 1.92959 1.93476 1.94244 1.94848 1.95446 1.97033 1.97887 1.98829 1.99728 2.00508 2.01058 2.01637 2.02935 2.03418 2.04306 2.04987 2.05525 2.06754 2.07322 2.07575 2.08654 2.09130 2.10685 2.13338 2.13723 2.14202 2.16913 2.17749 2.18505 2.19258 2.20496 2.22185 2.22414 2.24149 2.25337 2.27142 2.27602 2.28233 2.30952 2.32761 2.33022 2.34718 2.35807 2.36522 2.37780 2.39116 2.39803 2.41191 2.43618 2.43986 2.45143 2.46578 2.46944 2.47573 2.47936 2.49321 2.50444 2.51127 2.52549 2.53171 2.58059 2.58769 2.59403 2.60197 2.61164 2.63444 2.64195 2.65912 2.66382 2.66821 2.68218 2.69281 2.71331 2.71690 2.72282 2.73128 2.73316 2.74278 2.75723 2.76224 2.76816 2.77913 2.78627 2.78702 2.79831 2.80851 2.81086 2.82111 2.82256 2.84442 2.85530 2.86481 2.87036 2.88398 2.88796 2.89640 2.91097 2.91901 2.92708 2.93378 2.93910 2.94485 2.96077 2.96726 2.97426 2.98680 3.00152 3.00192 3.02015 3.02743 3.03037 3.03734 3.05880 3.06612 3.07787 3.09741 3.12554 3.16537 3.18750 3.19006 3.20431 3.23986 3.26315 3.29896 3.32961 3.35267 3.37004 3.38525 3.39360 3.41829 3.43368 3.46050 3.48825 3.51158 3.54571 3.55560 3.57675 3.58254 3.61678 3.62371 3.63557 3.68435 3.69108 3.72683 3.73074 3.75196 3.77611 3.77942 3.80047 3.82392 3.83247 3.85433 3.85874 3.88600 3.89942 3.93297 3.95086 4.00360 4.00895 4.02472 4.04639 4.06967 4.07434 4.10241 4.14028 4.16953 4.20551 4.21901 4.29742 4.36102 4.38021 4.43655 4.55321 4.60070 4.65392 4.77902 4.85362 4.88222 4.91799 4.98883 5.10247 5.11293 5.27979 5.43810 5.79508 6.37700 6.42319 6.44011 6.48927 6.60867 6.68111 23.63214 23.68212 23.76668 23.87132 23.88428 23.89529 23.92339 23.92916 23.94177 23.95275 23.96781 23.98853 24.01134 24.01360 24.07543 24.10068 24.10657 24.19584 35.50499 35.57272 35.66258 50.04033 66.77488 66.84002 1-A. Mulliken charges: 1 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.105360 -0.089783 -0.446472 0.045107 0.095560 -0.192972 0.097680 -0.100216 -0.882842 -0.529260 -0.354005 -0.450924 1.261841 -0.130006 -0.404217 0.013463 -0.489043 -0.177981 -0.562930 1.164241 -0.744328 0.062374 -0.282597 -0.298621 0.166471 0.169817 0.206669 0.158718 0.170758 0.162745 0.159178 0.166191 0.170974 0.148412 0.160717 0.155193 0.331756 0.158038 0.184324 0.247387 0.200640 0.182418 0.200884 -0.00000 1.67752572e+00 -9.74965043e-01 8.41442854e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.2638 -2.4781 2.1387 5.3755 -94.2957 -151.8964 -140.2228 1.8220 6.5834 -3.1437 34.5092 -23.0914 -11.4178 1.8220 6.5834 -3.1437 248.0986 -62.3684 2.4216 6.5271 56.0659 37.4184 14.5532 -2.8307 -15.5940 18.3227 -5593.8056 -3151.6072 -893.0351 184.9947 217.7362 -116.9147 -56.1753 3.7722 -20.0547 -1677.2920 -1343.2755 -648.0846 41.9603 44.3551 7.3252 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1136.8460492 5.628E-9 3.477E-6 21.3699851,-13.7473516,-7.6226335,-11.3183033,-7.9720133,-0.4958083 C01[X(C18H19F2N3O1)] 1.805443 0.5652694 -0.9452628 0.000003653 -0.000001057 -0.000005349 -0.000002490 0.000001577 -0.000005764 -0.000001419 0.000000113 0.000002592 -0.000004571 -0.000001711 -0.000002332 -0.000003451 -0.000001169 -0.000001736 0.000001029 -0.000007208 0.000005131 0.000005298 0.000002764 -0.000001913 0.000003129 0.000003872 -0.000002869 -0.000000215 0.000000825 -0.000000082 0.000004120 0.000001180 -0.000001271 0.000004113 0.000001237 -0.000001446 0.000001999 0.000001365 -0.000001335 -0.000003023 0.000004496 0.000000428 0.000002808 0.000001809 0.000002269 0.000000336 0.000004591 -0.000001072 -0.000002846 0.000000656 0.000000556 -0.000002190 0.000004554 0.000000191 -0.000004373 0.000005329 -0.000000516 -0.000003172 -0.000002724 0.000003388 -0.000000018 -0.000001104 -0.000005767 0.000001145 -0.000004827 0.000001938 -0.000005217 -0.000006933 0.000009848 0.000002068 -0.000007963 0.000008779 -0.000001293 -0.000006707 0.000001553 0.000002817 0.000001156 -0.000000460 0.000002037 0.000004595 -0.000001295 -0.000000297 0.000000639 -0.000001674 0.000002419 0.000003691 -0.000001219 0.000001848 0.000001652 -0.000001679 0.000004620 0.000004429 -0.000002451 0.000005343 0.000002058 -0.000001993 0.000002678 0.000000220 -0.000000323 0.000002163 0.000002692 -0.000001254 -0.000000215 0.000005053 -0.000001227 -0.000005128 0.000002253 0.000000878 -0.000002609 0.000006349 -0.000000663 0.000002213 -0.000000862 0.000000488 -0.000004517 0.000005033 0.000000704 -0.000003385 -0.000004000 0.000000117 0.000001747 -0.000003681 -0.000000190 -0.000003143 -0.000008219 0.000002397 -0.000003225 -0.000007596 0.000002746 -0.000000789 -0.000008429 0.000001877 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6522,1.1525,1.7273;1.3205,1.8547,-.3341;.5583,-2.9294,-.1149;-.2219,-.7898,.0606;4.3037,-1.2826,-.7461;4.0968,-.0272,-.3086;-1.9631,2.2144,-.8818;-2.3958,2.5738,.505;-2.0854,.7726,-1.3874;-2.994,1.8541,-1.9197;-2.2547,3.9977,.9893;-1.3677,2.9127,1.5579;-2.5506,-.3224,-.4853;-1.6011,-1.0909,.2207;-3.9037,-.6221,-.295;-2.007,-2.1078,1.0888;-4.3124,-1.6424,.5614;-3.3601,-2.3853,1.2569;.7704,-1.7131,-.0964;2.1519,-1.2053,-.2628;2.7996,.0363,-.0155;3.1773,-2.0183,-.7294;2.2904,1.3265,.515;5.6364,-1.6969,-1.1666;-1.0839,2.7493,-1.228;-3.2728,2.0403,.8572;-1.2867,.4722,-2.0597;-4.0306,1.8596,-1.6019;-2.8399,2.1741,-2.9441;-3.038,4.4054,1.6188;-1.8008,4.7143,.3125;-.3272,2.9061,1.258;-1.5471,2.5799,2.5742;-4.6506,-.055,-.8373;-1.2616,-2.6726,1.632;-5.3689,-1.8553,.6827;.0002,.1814,-.1109;-3.6653,-3.1763,1.9328;3.1591,-3.0498,-1.0419;3.0736,2.0732,.6364;6.3342,-1.5723,-.3377;5.5963,-2.7446,-1.4588;5.958,-1.0901,-2.014; Gaussian 16 GINC-BELVIS26 APULGAR Optimization sedaxane_cis CONF11 octanol EM64L-G16RevC.01 123 C1[X(C18H19F2N3O)] 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6522,1.1525,1.7273;1.3205,1.8547,-.3341;.5583,-2.9294,-.1149;-.2219,-.7898,.0606;4.3037,-1.2826,-.7461;4.0968,-.0272,-.3086;-1.9631,2.2144,-.8818;-2.3958,2.5738,.505;-2.0854,.7726,-1.3874;-2.994,1.8541,-1.9197;-2.2547,3.9977,.9893;-1.3677,2.9127,1.5579;-2.5506,-.3224,-.4853;-1.6011,-1.0909,.2207;-3.9037,-.6221,-.295;-2.007,-2.1078,1.0888;-4.3124,-1.6424,.5614;-3.3601,-2.3853,1.2569;.7704,-1.7131,-.0964;2.1519,-1.2053,-.2628;2.7996,.0363,-.0155;3.1773,-2.0183,-.7294;2.2904,1.3265,.515;5.6364,-1.6969,-1.1666;-1.0839,2.7493,-1.228;-3.2728,2.0403,.8572;-1.2867,.4722,-2.0597;-4.0306,1.8596,-1.6019;-2.8399,2.1741,-2.9441;-3.038,4.4054,1.6188;-1.8008,4.7143,.3125;-.3272,2.9061,1.258;-1.5471,2.5799,2.5742;-4.6506,-.055,-.8373;-1.2616,-2.6726,1.632;-5.3689,-1.8553,.6827;.0002,.1814,-.1109;-3.6653,-3.1763,1.9328;3.1591,-3.0498,-1.0419;3.0736,2.0732,.6364;6.3342,-1.5723,-.3377;5.5963,-2.7446,-1.4588;5.958,-1.0901,-2.014; Optimization sedaxane_cis CONF11 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 19 19 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 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 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 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) Structure from the checkpoint file: "/home/apulgar/almacen/pesticidas/gaussian_results/C2/sedaxane_cis/octanol/CONF11/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 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 20 20 21 22 23 24 24 24 23 23 19 14 19 37 6 22 24 21 8 9 10 25 11 12 26 10 13 27 28 29 12 30 31 32 33 14 15 16 17 34 18 35 18 36 38 20 21 22 23 39 40 41 42 43 1.381 1.3931 1.2347 1.4208 1.3645 1.011 1.3454 1.3455 1.4576 1.3315 1.4965 1.5328 1.5067 1.0858 1.5106 1.5101 1.0852 1.5095 1.4931 1.0863 1.0842 1.0842 1.5124 1.0845 1.0852 1.0828 1.0843 1.4108 1.3989 1.3972 1.3933 1.0833 1.3915 1.0815 1.3937 1.0845 1.0843 1.4813 1.422 1.3893 1.4851 1.0779 1.0889 1.0906 1.0885 1.0907 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 14 14 19 6 6 22 5 8 8 8 9 10 7 7 7 11 12 7 7 10 10 13 7 7 9 9 28 8 8 12 12 30 8 8 11 11 32 9 9 14 4 4 13 13 13 17 14 14 18 15 15 18 16 16 17 3 3 4 19 19 21 6 6 20 5 5 20 1 1 1 2 2 21 5 5 5 41 41 42 4 4 4 5 5 5 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 19 37 37 22 24 24 21 9 10 25 25 25 11 12 26 26 26 13 27 13 27 27 28 29 28 29 29 30 31 30 31 31 32 33 32 33 33 14 15 15 13 16 16 17 34 34 18 35 35 18 36 36 17 38 38 4 20 20 21 22 22 20 23 23 20 39 39 2 21 40 21 40 40 41 42 43 42 43 43 125.1372 115.8496 118.083 112.1752 119.9733 127.8515 105.4224 120.5644 119.8672 114.2896 115.0096 116.8823 119.7614 120.2058 114.6053 115.7737 115.738 121.0224 113.9281 123.4338 114.9871 113.5924 116.8075 118.8842 118.4101 117.3256 114.2922 118.226 117.4949 118.3642 117.5774 114.5725 117.3713 118.1566 117.63 118.3904 114.6289 119.4835 122.7287 117.786 118.7822 120.4099 120.7876 121.6154 119.1188 119.2608 120.1731 119.4674 120.3587 119.7729 119.8806 120.3465 119.8611 119.633 120.5053 122.9104 119.7533 117.3337 134.7971 121.6962 103.4868 111.3334 117.0116 131.6455 107.5802 122.264 130.1556 105.1377 111.2577 108.7199 110.5092 107.9849 112.8866 109.4708 108.5026 109.6104 109.7252 109.7704 109.7411 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 19 19 37 37 14 14 37 37 22 24 6 6 24 24 6 6 6 22 22 22 5 5 9 9 9 10 10 10 25 25 25 8 8 25 25 8 8 25 25 7 7 26 26 7 7 26 26 13 13 27 27 7 7 10 10 27 27 30 30 31 31 9 9 15 15 9 9 14 14 4 4 13 13 13 13 34 34 14 14 35 35 15 15 36 36 3 3 4 4 19 19 22 22 19 19 21 21 6 6 6 20 20 20 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 21 21 14 14 14 14 19 19 19 19 6 6 22 22 22 22 24 24 24 24 24 24 21 21 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 13 13 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 23 13 16 13 16 3 20 3 20 21 21 20 39 20 39 41 42 43 41 42 43 20 23 11 12 26 11 12 26 11 12 26 13 27 13 27 28 29 28 29 30 31 30 31 32 33 32 33 28 29 28 29 14 15 14 15 14 15 32 33 32 33 4 16 4 16 17 34 17 34 18 35 18 35 18 36 18 36 17 38 17 38 16 38 16 38 21 22 21 22 6 23 6 23 5 39 5 39 1 2 40 1 2 40 -136.8934 44.7278 31.8092 -146.5696 0.0021 179.4122 -168.4711 10.939 -0.4509 179.5819 0.4828 -179.6575 -179.5532 0.3065 58.9008 178.6238 -61.5518 -121.0607 -1.3377 118.4868 0.2439 179.254 179.4039 108.7818 -36.2289 -110.4488 178.929 33.9184 35.7751 -34.847 -179.8577 -4.1337 -145.1927 139.2507 -1.8083 -0.7736 142.8535 -146.1538 -2.5267 141.9451 -2.2909 -2.0253 -146.2613 1.437 -142.596 146.0724 2.0395 2.3923 -141.3114 149.1959 5.4921 -93.0716 86.4354 -164.6812 14.8258 48.1065 -132.3864 -144.7619 0.0839 -0.1617 144.6841 0.5826 178.9551 -178.9486 -0.5762 -179.4606 1.3593 0.0544 -179.1257 179.0399 -0.6203 0.6939 -178.9662 0.3528 -179.5795 179.5318 -0.4005 -0.2755 -179.9924 179.3816 -0.3353 -0.2416 179.4729 179.6904 -0.5952 -163.6703 14.4148 16.9001 -165.0148 178.3581 -0.4617 0.0336 -178.7862 -178.9029 1.2523 -0.3001 179.8551 -124.7076 118.8887 -2.1583 54.0584 -62.3453 176.6078 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00022 0.00108 0.00346 0.00499 0.00587 0.00665 0.00874 0.00942 0.01391 0.01447 0.01624 0.01647 0.01685 0.01721 0.01767 0.01783 0.01838 0.01939 0.02019 0.02097 0.02173 0.02258 0.02434 0.02523 0.02668 0.02742 0.02895 0.03103 0.03156 0.03201 0.03290 0.03354 0.04697 0.04900 0.05497 0.05700 0.05746 0.05836 0.05882 0.05939 0.06020 0.06360 0.06997 0.07414 0.07494 0.08482 0.10421 0.10733 0.10925 0.11648 0.11915 0.12175 0.12466 0.13261 0.13275 0.14326 0.14790 0.15124 0.15795 0.15935 0.16192 0.17691 0.17829 0.18802 0.18833 0.19222 0.19315 0.19541 0.20007 0.21294 0.21655 0.21838 0.22214 0.22345 0.23034 0.23104 0.24316 0.24386 0.25314 0.25851 0.26458 0.27600 0.29700 0.30909 0.31766 0.32656 0.33148 0.33891 0.33966 0.34393 0.34555 0.34610 0.34753 0.34858 0.34937 0.35028 0.35063 0.35120 0.35213 0.35289 0.35444 0.35536 0.35688 0.35788 0.36098 0.36346 0.36692 0.37505 0.38800 0.39309 0.41538 0.41827 0.42848 0.43407 0.45869 0.46226 0.46798 0.47113 0.48631 0.50552 0.55792 0.73854 0.81202 Angle between quadratic step and forces= 76.81 degrees. 1 2 0.00026644 0.00000006 0.00000004 0.00000000 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 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 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 2.60966 2.63255 2.33328 2.68487 2.57848 1.91043 2.54250 2.54254 2.75437 2.51610 2.82800 2.89661 2.84718 2.05195 2.85463 2.85373 2.05076 2.85258 2.82154 2.05286 2.04882 2.04886 2.85800 2.04946 2.05070 2.04624 2.04910 2.66607 2.64357 2.64040 2.63303 2.04721 2.62953 2.04366 2.63374 2.04939 2.04910 2.79927 2.68718 2.62548 2.80637 2.03692 2.05776 2.06094 2.05690 2.06116 2.18406 2.02196 2.06094 1.95783 2.09393 2.23143 1.83997 2.10425 2.09208 1.99473 2.00730 2.03998 2.09023 2.09799 2.00024 2.02063 2.02001 2.11224 1.98842 2.15433 2.00690 1.98256 2.03867 2.07492 2.06665 2.04772 1.99478 2.06343 2.05067 2.06585 2.05211 1.99967 2.04852 2.06222 2.05303 2.06630 2.00065 2.08538 2.14202 2.05575 2.07314 2.10155 2.10814 2.12259 2.07901 2.08149 2.09742 2.08510 2.10066 2.09043 2.09231 2.10044 2.09197 2.08799 2.10321 2.14519 2.09009 2.04786 2.35265 2.12400 1.80618 1.94313 2.04224 2.29765 1.87763 2.13391 2.27164 1.83500 1.94181 1.89752 1.92875 1.88469 1.97024 1.91063 1.89373 1.91306 1.91507 1.91585 1.91534 -2.38924 0.78065 0.55518 -2.55812 0.00004 3.13133 -2.94038 0.19092 -0.00787 3.13430 0.00843 -3.13561 -3.13379 0.00535 1.02801 3.11757 -1.07428 -2.11291 -0.02335 2.06798 0.00426 3.12857 3.13119 1.89860 -0.63231 -1.92770 3.12290 0.59199 0.62439 -0.60820 -3.13911 -0.07215 -2.53409 2.43038 -0.03156 -0.01350 2.49326 -2.55087 -0.04410 2.47741 -0.03998 -0.03535 -2.55274 0.02508 -2.48877 2.54945 0.03560 0.04175 -2.46635 2.60396 0.09586 -1.62441 1.50858 -2.87423 0.25876 0.83962 -2.31058 -2.52657 0.00146 -0.00282 2.52521 0.01017 3.12336 -3.12324 -0.01006 -3.13218 0.02373 0.00095 -3.12633 3.12484 -0.01083 0.01211 -3.12355 0.00616 -3.13425 3.13342 -0.00699 -0.00481 -3.14146 3.13080 -0.00585 -0.00422 3.13239 3.13619 -0.01039 -2.85659 0.25159 0.29496 -2.88005 3.11294 -0.00806 0.00059 -3.12041 -3.12244 0.02186 -0.00524 3.13906 -2.17656 2.07500 -0.03767 0.94350 -1.08813 3.08239 -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 0.00001 -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 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00004 -0.00001 -0.00002 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00006 -0.00000 -0.00004 0.00000 -0.00000 0.00000 -0.00000 -0.00003 -0.00005 0.00001 0.00002 0.00004 0.00002 0.00003 -0.00001 -0.00001 -0.00002 -0.00001 0.00000 0.00002 -0.00004 0.00001 -0.00001 0.00002 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00002 0.00003 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00002 0.00000 -0.00003 -0.00002 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00002 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00029 -0.00029 -0.00018 -0.00019 0.00001 -0.00002 -0.00010 -0.00013 -0.00005 0.00002 0.00006 -0.00002 -0.00001 -0.00010 0.00014 0.00014 0.00014 0.00022 0.00022 0.00022 0.00002 0.00005 -0.00039 -0.00041 -0.00040 -0.00043 -0.00045 -0.00044 -0.00041 -0.00043 -0.00042 -0.00008 -0.00009 -0.00006 -0.00008 0.00003 0.00003 0.00002 0.00002 -0.00003 -0.00003 -0.00003 -0.00003 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00007 -0.00007 -0.00008 -0.00008 -0.00006 -0.00006 0.00002 0.00002 0.00001 0.00001 -0.00002 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00002 0.00001 0.00001 0.00002 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00027 0.00017 0.00030 0.00019 -0.00008 -0.00012 0.00001 -0.00002 0.00003 0.00013 -0.00004 0.00005 -0.00012 -0.00013 -0.00010 -0.00008 -0.00009 -0.00006 -0.00003 0.00004 -0.00001 -0.00002 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00002 -0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00006 -0.00000 -0.00004 0.00000 -0.00000 0.00000 -0.00000 -0.00003 -0.00005 0.00001 0.00002 0.00004 0.00002 0.00003 -0.00001 -0.00001 -0.00002 -0.00001 0.00000 0.00002 -0.00004 0.00001 -0.00001 0.00002 0.00000 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00000 -0.00001 0.00001 -0.00002 0.00003 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00000 0.00002 0.00000 -0.00003 -0.00002 0.00001 0.00000 0.00000 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 0.00001 -0.00001 -0.00002 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00029 -0.00029 -0.00018 -0.00019 0.00001 -0.00002 -0.00010 -0.00013 -0.00005 0.00002 0.00006 -0.00002 -0.00001 -0.00010 0.00014 0.00014 0.00014 0.00022 0.00022 0.00022 0.00002 0.00005 -0.00039 -0.00041 -0.00040 -0.00043 -0.00045 -0.00044 -0.00041 -0.00043 -0.00042 -0.00008 -0.00009 -0.00006 -0.00008 0.00003 0.00003 0.00002 0.00002 -0.00003 -0.00003 -0.00003 -0.00003 0.00000 0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00001 0.00001 -0.00007 -0.00007 -0.00008 -0.00008 -0.00006 -0.00006 0.00002 0.00002 0.00001 0.00001 -0.00002 -0.00001 -0.00002 -0.00001 0.00002 0.00001 0.00002 0.00001 0.00001 0.00002 -0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00001 -0.00000 -0.00000 -0.00001 -0.00001 -0.00001 -0.00001 0.00027 0.00017 0.00030 0.00019 -0.00008 -0.00012 0.00001 -0.00002 0.00003 0.00013 -0.00004 0.00005 -0.00012 -0.00013 -0.00010 -0.00008 -0.00009 -0.00006 2.60963 2.63259 2.33328 2.68485 2.57848 1.91043 2.54250 2.54255 2.75437 2.51609 2.82801 2.89662 2.84718 2.05194 2.85463 2.85373 2.05076 2.85258 2.82154 2.05286 2.04882 2.04886 2.85800 2.04946 2.05070 2.04624 2.04910 2.66609 2.64356 2.64040 2.63303 2.04721 2.62953 2.04366 2.63373 2.04939 2.04910 2.79928 2.68718 2.62547 2.80636 2.03692 2.05776 2.06094 2.05690 2.06115 2.18412 2.02195 2.06090 1.95783 2.09393 2.23143 1.83996 2.10422 2.09203 1.99474 2.00732 2.04002 2.09025 2.09802 2.00023 2.02062 2.01999 2.11223 1.98842 2.15435 2.00687 1.98257 2.03866 2.07494 2.06665 2.04772 1.99477 2.06344 2.05067 2.06585 2.05211 1.99966 2.04853 2.06221 2.05304 2.06630 2.00065 2.08538 2.14201 2.05576 2.07312 2.10158 2.10813 2.12259 2.07901 2.08149 2.09741 2.08511 2.10064 2.09043 2.09231 2.10045 2.09198 2.08798 2.10321 2.14521 2.09009 2.04783 2.35263 2.12401 1.80619 1.94314 2.04225 2.29764 1.87762 2.13390 2.27166 1.83500 1.94182 1.89753 1.92874 1.88467 1.97025 1.91063 1.89373 1.91306 1.91506 1.91586 1.91534 -2.38953 0.78035 0.55499 -2.55831 0.00005 3.13131 -2.94048 0.19079 -0.00792 3.13431 0.00849 -3.13564 -3.13381 0.00525 1.02816 3.11772 -1.07414 -2.11268 -0.02313 2.06821 0.00428 3.12862 3.13079 1.89819 -0.63271 -1.92813 3.12245 0.59155 0.62398 -0.60863 -3.13953 -0.07223 -2.53418 2.43032 -0.03164 -0.01347 2.49329 -2.55085 -0.04408 2.47738 -0.04002 -0.03537 -2.55277 0.02508 -2.48876 2.54944 0.03559 0.04175 -2.46634 2.60395 0.09586 -1.62448 1.50851 -2.87431 0.25868 0.83955 -2.31064 -2.52655 0.00148 -0.00281 2.52522 0.01015 3.12334 -3.12326 -0.01007 -3.13216 0.02374 0.00097 -3.12632 3.12484 -0.01081 0.01211 -3.12354 0.00615 -3.13426 3.13342 -0.00699 -0.00479 -3.14145 3.13080 -0.00585 -0.00423 3.13238 3.13618 -0.01040 -2.85631 0.25175 0.29526 -2.87986 3.11286 -0.00817 0.00060 -3.12043 -3.12241 0.02199 -0.00528 3.13911 -2.17668 2.07487 -0.03777 0.94341 -1.08822 3.08233 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000008 0.000001 0.001608 0.000266 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -4.059688e-09 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 R38 R39 R40 R41 R42 R43 R44 R45 R46 1 2 3 4 4 4 5 5 5 6 7 7 7 7 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 20 20 21 22 23 24 24 24 23 23 19 14 19 37 6 22 24 21 8 9 10 25 11 12 26 10 13 27 28 29 12 30 31 32 33 14 15 16 17 34 18 35 18 36 38 20 21 22 23 39 40 41 42 43 1.381 1.3931 1.2347 1.4208 1.3645 1.011 1.3454 1.3455 1.4576 1.3315 1.4965 1.5328 1.5067 1.0858 1.5106 1.5101 1.0852 1.5095 1.4931 1.0863 1.0842 1.0842 1.5124 1.0845 1.0852 1.0828 1.0843 1.4108 1.3989 1.3972 1.3933 1.0833 1.3915 1.0815 1.3937 1.0845 1.0843 1.4813 1.422 1.3893 1.4851 1.0779 1.0889 1.0906 1.0885 1.0907 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 14 14 19 6 6 22 5 8 8 8 9 10 7 7 7 11 12 7 7 10 10 13 7 7 9 9 28 8 8 12 12 30 8 8 11 11 32 9 9 14 4 4 13 13 13 17 14 14 18 15 15 18 16 16 17 3 3 4 19 19 21 6 6 20 5 5 20 1 1 1 2 2 21 5 5 5 41 41 42 4 4 4 5 5 5 6 7 7 7 7 7 8 8 8 8 8 9 9 9 9 9 10 10 10 10 10 11 11 11 11 11 12 12 12 12 12 13 13 13 14 14 14 15 15 15 16 16 16 17 17 17 18 18 18 19 19 19 20 20 20 21 21 21 22 22 22 23 23 23 23 23 23 24 24 24 24 24 24 19 37 37 22 24 24 21 9 10 25 25 25 11 12 26 26 26 13 27 13 27 27 28 29 28 29 29 30 31 30 31 31 32 33 32 33 33 14 15 15 13 16 16 17 34 34 18 35 35 18 36 36 17 38 38 4 20 20 21 22 22 20 23 23 20 39 39 2 21 40 21 40 40 41 42 43 42 43 43 125.1372 115.8496 118.083 112.1752 119.9733 127.8515 105.4224 120.5644 119.8672 114.2896 115.0096 116.8823 119.7614 120.2058 114.6053 115.7737 115.738 121.0224 113.9281 123.4338 114.9871 113.5924 116.8075 118.8842 118.4101 117.3256 114.2922 118.226 117.4949 118.3642 117.5774 114.5725 117.3713 118.1566 117.63 118.3904 114.6289 119.4835 122.7287 117.786 118.7822 120.4099 120.7876 121.6154 119.1188 119.2608 120.1731 119.4674 120.3587 119.7729 119.8806 120.3465 119.8611 119.633 120.5053 122.9104 119.7533 117.3337 134.7971 121.6962 103.4868 111.3334 117.0116 131.6455 107.5802 122.264 130.1556 105.1377 111.2577 108.7199 110.5092 107.9849 112.8866 109.4708 108.5026 109.6104 109.7252 109.7704 109.7411 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 19 19 37 37 14 14 37 37 22 24 6 6 24 24 6 6 6 22 22 22 5 5 9 9 9 10 10 10 25 25 25 8 8 25 25 8 8 25 25 7 7 26 26 7 7 26 26 13 13 27 27 7 7 10 10 27 27 30 30 31 31 9 9 15 15 9 9 14 14 4 4 13 13 13 13 34 34 14 14 35 35 15 15 36 36 3 3 4 4 19 19 22 22 19 19 21 21 6 6 6 20 20 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 6 6 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 8 8 8 8 8 8 8 8 9 9 9 9 9 9 9 9 9 9 11 11 11 11 13 13 13 13 13 13 13 13 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 19 19 19 19 20 20 20 20 20 20 20 20 21 21 21 21 21 14 14 14 14 19 19 19 19 6 6 22 22 22 22 24 24 24 24 24 24 21 21 8 8 8 8 8 8 8 8 8 9 9 9 9 10 10 10 10 11 11 11 11 12 12 12 12 10 10 10 10 13 13 13 13 13 13 12 12 12 12 14 14 14 14 15 15 15 15 16 16 16 16 17 17 17 17 18 18 18 18 18 18 18 18 20 20 20 20 21 21 21 21 22 22 22 22 23 23 23 23 23 13 16 13 16 3 20 3 20 21 21 20 39 20 39 41 42 43 41 42 43 20 23 11 12 26 11 12 26 11 12 26 13 27 13 27 28 29 28 29 30 31 30 31 32 33 32 33 28 29 28 29 14 15 14 15 14 15 32 33 32 33 4 16 4 16 17 34 17 34 18 35 18 35 18 36 18 36 17 38 17 38 16 38 16 38 21 22 21 22 6 23 6 23 5 39 5 39 1 2 40 1 2 -136.8934 44.7278 31.8092 -146.5696 0.0021 179.4122 -168.4711 10.939 -0.4509 179.5819 0.4828 -179.6575 -179.5532 0.3065 58.9008 178.6238 -61.5518 -121.0607 -1.3377 118.4868 0.2439 179.254 179.4039 108.7818 -36.2289 -110.4488 178.929 33.9184 35.7751 -34.847 -179.8577 -4.1337 -145.1927 139.2507 -1.8083 -0.7736 142.8535 -146.1538 -2.5267 141.9451 -2.2909 -2.0253 -146.2613 1.437 -142.596 146.0724 2.0395 2.3923 -141.3114 149.1959 5.4921 -93.0716 86.4354 -164.6812 14.8258 48.1065 -132.3864 -144.7619 0.0839 -0.1617 144.6841 0.5826 178.9551 -178.9486 -0.5762 -179.4606 1.3593 0.0544 -179.1257 179.0399 -0.6203 0.6939 -178.9662 0.3528 -179.5795 179.5318 -0.4005 -0.2755 -179.9924 179.3816 -0.3353 -0.2416 179.4729 179.6904 -0.5952 -163.6703 14.4148 16.9001 -165.0148 178.3581 -0.4617 0.0336 -178.7862 -178.9029 1.2523 -0.3001 179.8551 -124.7076 118.8887 -2.1583 54.0584 -62.3453 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 1 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 666 A 642 A 642 1016 666 87 87 2100.5743763106 43 43 43 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 -0.0453811863 PCM SMD-Coulomb. Total charges None Matrix inversion n-Octanol 9.862900 2.043470 0.000000 2.202849 0.000000 4.609976 4.849378 0.000000 3.172178 3.086821 2.284085 0.000000 4.367818 4.348806 4.139870 4.623284 0.000000 3.393018 3.354162 4.580518 4.401043 1.345435 0.000000 4.583186 3.348338 5.779610 3.597982 7.177777 6.486623 0.000000 4.461015 3.877126 6.276567 4.029540 7.830742 7.041411 1.496515 0.000000 4.880136 3.725671 4.723635 2.830317 6.742081 6.326407 1.532819 2.630969 0.000000 5.948189 4.596676 6.225582 4.312431 8.029525 7.511025 1.506662 2.599090 1.509523 0.000000 4.889130 4.373253 7.557484 5.283438 8.596812 7.630577 2.601117 1.510607 4.009811 3.688353 0.000000 3.499521 3.453258 6.374695 4.154885 7.421127 6.479754 2.606535 1.510131 3.710800 3.982409 1.512389 0.000000 4.973367 4.443872 4.074096 2.437056 6.926123 6.656293 2.633985 3.064719 1.493095 2.644168 4.574387 4.004949 0.000000 4.229323 4.185764 2.855784 1.420771 5.986541 5.820509 3.503110 3.760629 2.508642 3.898059 5.187645 4.227463 1.410826 0.000000 6.173105 5.781738 5.026425 3.702738 8.246285 8.022616 3.486571 3.623180 2.538677 3.098229 5.070615 4.728581 1.398916 2.405720 0.000000 4.942378 5.366401 2.950266 2.445520 6.623613 6.598297 4.750438 4.733842 3.799261 5.071706 6.111333 5.082745 2.441456 1.397238 2.778423 0.000000 6.689382 6.690406 5.083035 4.208327 8.722192 8.607027 4.740997 4.631701 3.819648 4.485499 6.018962 5.514840 2.437608 2.787693 1.393341 2.410366 0.000000 6.153096 6.512814 4.187050 3.718161 7.997611 7.976004 5.261416 5.107564 4.311523 5.310096 6.483488 5.668229 2.818812 2.417210 2.410895 1.391486 1.393715 0.000000 3.509340 3.617832 1.234719 1.364472 3.618258 3.735294 4.849164 5.363217 4.000119 5.497315 6.553094 5.357810 3.621335 2.472215 4.803830 3.045340 5.125685 4.398195 0.000000 3.125557 3.171721 2.352478 2.431506 2.206749 2.274296 5.386167 5.962590 4.809529 6.211768 6.932256 5.714861 4.789827 3.785809 6.083723 4.465159 6.531321 5.838174 1.481309 0.000000 2.366353 2.365539 3.718667 3.133299 2.129733 1.331460 5.308260 5.805311 5.127099 6.363670 6.499790 5.302336 5.382696 4.548923 6.741323 5.377681 7.330163 6.739776 2.680429 1.421995 0.000000 4.291315 4.313305 2.840270 3.699751 1.345457 2.233148 6.660592 7.326058 5.993208 7.382305 8.285695 7.085434 5.978689 4.959498 7.230435 5.494603 7.609465 6.842373 2.507432 1.389344 2.207684 0.000000 1.380973 1.393086 4.637840 3.316166 3.528686 2.402975 4.564154 4.849334 4.803499 5.842213 5.293136 4.121227 5.210991 4.590708 6.543691 5.530915 7.239722 6.801151 3.453089 2.652189 1.485068 3.677414 0.000000 5.689193 5.650999 5.330330 6.053788 1.457552 2.427780 8.551707 9.249267 8.110057 9.362743 9.967163 8.816305 8.329455 7.394161 9.639924 7.979741 10.097909 9.342588 4.982321 3.633185 3.518017 2.518215 4.812965 0.000000 4.332457 2.716699 6.015241 3.863844 6.746458 5.949313 1.085844 2.180707 2.221690 2.220034 2.801001 2.805094 3.484030 4.136894 4.493169 5.459983 5.736961 6.141656 4.963093 5.200075 4.889969 6.413814 4.055642 8.058191 0.000000 5.079485 4.748893 6.349785 4.237013 8.427091 7.742421 2.183950 1.085216 2.838220 2.797115 2.210260 2.209417 2.811827 3.606147 2.968872 4.343165 3.838073 4.444463 5.598677 6.419951 6.453782 7.784225 5.619200 9.870965 3.105201 0.000000 4.841671 3.418576 4.330951 2.687491 6.004809 5.683171 2.209154 3.496366 1.086325 2.200940 4.760483 4.364576 2.169738 2.782570 3.340740 4.133804 4.527342 4.843967 3.586358 4.226958 4.589833 5.282078 4.489415 7.309727 2.432699 3.861609 0.000000 6.624051 5.499216 6.797311 4.928482 8.947984 8.443203 2.217861 2.760723 2.238629 1.084191 3.799900 4.264311 2.863347 4.234389 2.807737 5.203421 4.125981 5.161544 6.170943 7.029245 7.245148 8.231285 6.687311 10.309644 3.100695 2.579567 3.108596 0.000000 6.560865 4.921684 6.752571 4.966619 8.234728 7.740141 2.241356 3.500508 2.226378 1.084211 4.374879 4.793854 3.515999 4.712851 3.996055 5.940759 5.387263 6.221470 6.021118 6.597551 6.704497 7.660826 6.245294 9.486373 2.521782 3.828244 2.467963 1.821581 0.000000 5.708892 5.414461 8.350893 6.111358 9.583684 8.617938 3.494100 2.237810 4.810644 4.362620 1.084527 2.240977 5.197776 5.850535 5.448658 6.615581 6.270405 6.807918 7.408256 7.871161 7.472429 9.241685 6.252149 10.965458 3.829600 2.495733 5.662917 4.223635 5.083156 0.000000 5.158660 4.282285 8.010867 5.731690 8.622584 7.592770 2.775297 2.230061 4.302123 3.819393 1.085183 2.232607 5.154374 5.809427 5.767939 6.869281 6.839475 7.329924 6.934741 7.141188 6.569237 8.437780 5.315629 9.929907 2.597803 3.100623 4.887476 4.097098 4.258906 1.825552 0.000000 2.685828 2.520938 6.059855 3.886504 6.557997 5.534508 2.780869 2.226340 3.826428 4.279809 2.231319 1.082825 4.290209 4.321505 5.258485 5.290563 6.087400 6.098977 4.937290 5.036107 4.431071 6.362532 3.146240 7.913953 2.603363 3.096252 4.225152 4.794704 4.950479 3.118724 2.516944 0.000000 3.604226 4.148137 6.481936 4.407839 7.757272 6.852831 3.500015 2.236446 4.387525 4.776565 2.241119 1.084338 4.334797 4.360807 4.902901 4.938893 5.433784 5.447490 5.561744 6.004876 5.663025 7.374115 4.531797 9.158962 3.834063 2.493404 5.097364 4.911822 5.682206 2.543198 3.120143 1.823986 0.000000 6.910913 6.289202 5.993017 4.578175 9.038520 8.763423 3.517770 3.714314 2.750954 2.749627 5.049829 5.032053 2.146049 3.389947 1.083336 3.861690 2.142572 3.388386 5.717114 6.922970 7.495906 8.071117 7.205164 10.422399 4.553918 3.026540 3.617733 2.152872 3.561759 5.341135 5.673605 5.643591 5.311517 0.000000 4.809434 5.570369 2.535614 2.663591 6.209666 6.283009 5.540177 5.484566 4.654502 6.008876 6.774318 5.586751 3.415736 2.146740 3.859799 1.081461 3.393346 2.151027 2.834931 4.170766 5.152217 5.070334 5.464144 7.507742 6.132536 5.182323 4.849626 6.218211 6.849929 7.297479 7.523173 5.668770 5.343940 4.943099 0.000000 7.709326 7.716565 6.076263 5.292774 9.794297 9.691421 5.532525 5.337299 4.687431 5.115818 6.636935 6.285611 3.414149 3.872138 2.150144 3.395764 1.084489 2.155419 6.190136 7.607820 8.413619 8.663626 8.295535 11.160684 6.573729 4.427124 5.440761 4.561880 5.982046 6.745716 7.485161 6.958463 6.152570 2.463159 4.294052 0.000000 2.655407 2.143121 3.160402 1.010957 4.589838 4.106655 2.929529 3.441499 2.515721 3.877559 4.567172 3.480800 2.626896 2.071990 3.990010 3.272386 4.730452 4.444144 2.045127 2.564297 2.804716 3.913468 2.635891 6.033951 3.002922 3.886596 2.353444 4.613795 4.479307 5.483166 4.895987 3.066822 3.918775 4.713140 3.574199 5.796980 0.000000 6.859768 7.436934 4.700259 4.588805 8.617854 8.671246 6.314996 6.059159 5.395726 6.371645 7.371971 6.518841 3.903124 3.397174 3.397625 2.145715 2.156970 1.084339 5.092524 6.522694 7.477367 7.433013 7.599686 9.915442 7.194970 5.340799 5.908455 6.163501 7.286472 7.614058 8.268247 6.970946 6.166979 4.288029 2.474236 2.492079 5.374649 0.000000 5.253368 5.285395 2.763705 4.213541 2.126136 3.248496 7.346716 8.054441 6.498806 7.917045 9.115962 7.924701 6.352055 5.300091 7.505621 5.667000 7.770111 6.944468 2.895920 2.241334 3.272086 1.077890 4.725527 2.825405 7.187969 8.419305 5.762436 8.723961 8.178937 10.052993 9.312154 7.274365 8.180289 8.366714 5.180170 8.782213 4.613612 7.445587 0.000000 2.014465 2.015738 5.649512 4.403292 3.832209 2.520258 5.262487 5.493892 5.692390 6.587776 5.676185 4.612908 6.215222 5.660215 7.537608 6.595299 8.268323 7.852126 4.492026 3.522258 2.156152 4.314703 1.088918 4.902224 4.606350 6.350364 5.370767 7.451564 6.913785 6.614879 5.553449 3.556108 5.036162 8.146460 6.504433 9.311867 3.685553 8.640058 5.391531 0.000000 5.797384 6.073035 5.937370 6.614620 2.091312 2.719182 9.136764 9.701196 8.802830 10.062746 10.322510 9.111909 8.973463 7.969502 10.281973 8.479170 10.684733 9.858135 5.570810 4.199004 3.896800 3.212163 5.048069 1.090600 8.631162 10.333110 8.076111 10.991132 10.246582 11.287125 10.301595 8.183948 9.372026 11.100330 7.923777 11.750872 6.576161 10.378690 3.572092 4.986967 0.000000 6.394857 6.379758 5.217468 6.323075 2.077534 3.309913 9.059229 9.798757 8.448923 9.754722 10.634337 9.465825 8.554909 7.573543 9.803544 8.043946 10.172453 9.365955 5.119515 3.957746 4.199795 2.628856 5.603510 1.088462 8.652247 10.340229 7.621359 10.672238 9.877710 11.625209 10.653191 8.625526 9.779742 10.612228 7.522551 11.207681 6.457105 9.872495 2.491374 5.827936 1.781982 0.000000 6.129130 5.744625 6.012209 6.525765 2.093143 2.739005 8.657146 9.463403 8.280026 9.424261 10.116985 9.079978 8.678861 7.882559 10.021354 8.608344 10.602808 9.960085 5.565671 4.191213 3.903654 3.200607 5.068308 1.090717 8.058995 10.161268 7.411426 10.423203 9.429923 11.150176 9.965114 8.135099 9.531369 10.723755 8.241358 11.668592 6.382289 10.608354 3.552356 5.034953 1.784319 1.782251 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.2057,-1.5635,-1.7908;.8754,-2.1021,.3195;1.3125,2.7119,-.0698;.0131,.8335,-.0894;4.5684,.1937,.3731;4.0215,-.9809,.0106;-2.3399,-1.6084,1.113;-2.9577,-1.8857,-.2215;-2.0588,-.1687,1.5578;-3.1625,-.9715,2.2029;-3.2144,-3.3122,-.6471;-2.1337,-2.5016,-1.327;-2.3074,.9826,.6402;-1.2561,1.4675,-.166;-3.5541,1.6078,.5317;-1.4641,2.5293,-1.0502;-3.7631,2.6739,-.3407;-2.7146,3.1336,-1.1355;1.2132,1.4814,-.046;2.4336,.647,.0464;2.7301,-.724,-.1872;3.663,1.1884,.4011;1.8752,-1.8588,-.6195;5.9915,.2707,.6789;-1.5967,-2.3375,1.4213;-3.6996,-1.1587,-.5358;-1.1595,-.0605,2.1575;-4.1898,-.7248,1.9593;-3.0116,-1.2914,3.2278;-4.1223,-3.5269,-1.2002;-2.9006,-4.1009,.0289;-1.1038,-2.7488,-1.1017;-2.3052,-2.1627,-2.3426;-4.3729,1.2622,1.1512;-.6475,2.8729,-1.6703;-4.7396,3.1423,-.3973;-.0005,-.1572,.1115;-2.8663,3.9568,-1.8248;3.9269,2.1995,.6654;2.4358,-2.7816,-.7606;6.5679,-.0484,-.1902;6.2368,1.3025,.9237;6.2186,-.3737,1.5291; 0.3617736 0.1686617 0.1322964 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= 642 RedAO= T EigKep= 1.58D-06 NBF= 642 NBsUse= 639 1.00D-06 EigRej= 9.36D-07 NBFU= 639 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= 664 664 664 664 664 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -1136.84604919408 -1136.84604919 1 1.132195394928e+03 -6.857602013076e+03 2.488031896401e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773968486 LenY= 3773524264 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= 43. Will process 44 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111 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. 13347 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 3774873600 using IRadAn= 1. Solving linear equations simultaneously, MaxMat= 384. FoF2E skips out because all densities are zero. CalDSu exits because no D1Ps are significant. FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 780000000 NMat= 129 IRICut= 322 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. There are 132 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 129 vectors produced by pass 0 Test12= 4.80D-14 1.00D-09 XBig12= 2.98D+02 8.44D+00. AX will form 129 AO Fock derivatives at one time. 129 vectors produced by pass 1 Test12= 4.80D-14 1.00D-09 XBig12= 4.79D+01 1.45D+00. 129 vectors produced by pass 2 Test12= 4.80D-14 1.00D-09 XBig12= 4.08D-01 8.13D-02. 129 vectors produced by pass 3 Test12= 4.80D-14 1.00D-09 XBig12= 1.95D-03 5.21D-03. 129 vectors produced by pass 4 Test12= 4.80D-14 1.00D-09 XBig12= 4.55D-06 1.18D-04. 119 vectors produced by pass 5 Test12= 4.80D-14 1.00D-09 XBig12= 7.56D-09 5.15D-06. 44 vectors produced by pass 6 Test12= 4.80D-14 1.00D-09 XBig12= 1.05D-11 3.15D-07. 3 vectors produced by pass 7 Test12= 4.80D-14 1.00D-09 XBig12= 1.35D-14 1.26D-08. InvSVY: IOpt=1 It= 1 EMax= 1.42D-14 Solved reduced A of dimension 811 with 132 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 322.88 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 389.784 -14.057 330.702 -1.458 -21.440 248.161 407.029 -13.482 364.214 -3.691 -26.020 281.056 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT115144.300S 2022-09-18T16:22:32.000 -24.70287 -24.70042 -19.10180 -14.41622 -14.35747 -14.35414 -10.35095 -10.29627 -10.22773 -10.22667 -10.21971 -10.21224 -10.19887 -10.18823 -10.18059 -10.17888 -10.17400 -10.17324 -10.17273 -10.17250 -10.17164 -10.16721 -10.16314 -10.16096 -1.26643 -1.20937 -1.08155 -1.05307 -0.94788 -0.87874 -0.87469 -0.85355 -0.83503 -0.81736 -0.76088 -0.75505 -0.75025 -0.70333 -0.65806 -0.64517 -0.63295 -0.62039 -0.60360 -0.59427 -0.58393 -0.57918 -0.57123 -0.56159 -0.55719 -0.54907 -0.52955 -0.51045 -0.50090 -0.49506 -0.48963 -0.48595 -0.46893 -0.46320 -0.45080 -0.44844 -0.44100 -0.43720 -0.43500 -0.42711 -0.42301 -0.42083 -0.41759 -0.41094 -0.40313 -0.38646 -0.37965 -0.36869 -0.36018 -0.35984 -0.35423 -0.33973 -0.33675 -0.33292 -0.31152 -0.30579 -0.28518 -0.28343 -0.28063 -0.27118 -0.26602 -0.24436 -0.22886 -0.04677 -0.02083 -0.01500 -0.00487 0.00546 0.01244 0.01534 0.01924 0.02097 0.03126 0.03452 0.03711 0.04187 0.04311 0.04840 0.05056 0.05390 0.05687 0.06378 0.06491 0.06982 0.07279 0.07586 0.07935 0.08111 0.08272 0.08575 0.09091 0.09232 0.09818 0.10570 0.10967 0.11220 0.11359 0.11741 0.12078 0.12435 0.12948 0.13176 0.13254 0.13404 0.13954 0.14067 0.14669 0.15028 0.15264 0.15360 0.15875 0.16136 0.16443 0.16525 0.16735 0.16894 0.17048 0.17166 0.17672 0.17957 0.18385 0.18464 0.18729 0.19175 0.19373 0.19551 0.19592 0.19757 0.20137 0.20206 0.20436 0.20680 0.20894 0.21379 0.21872 0.21986 0.22201 0.22226 0.22847 0.23166 0.23390 0.23551 0.23713 0.23765 0.24296 0.24541 0.24717 0.25096 0.25416 0.25490 0.25687 0.26297 0.26638 0.26708 0.27269 0.27307 0.27515 0.27893 0.28172 0.28295 0.28791 0.29044 0.29244 0.29627 0.29834 0.30329 0.30783 0.30969 0.31291 0.31606 0.31693 0.32423 0.33017 0.33111 0.33367 0.33674 0.34501 0.34684 0.35049 0.35276 0.35469 0.35950 0.36666 0.36887 0.37226 0.37947 0.38537 0.38768 0.38872 0.39735 0.40201 0.40534 0.41424 0.41903 0.42438 0.43272 0.43784 0.43955 0.44500 0.45447 0.46240 0.46555 0.47378 0.48208 0.49015 0.49361 0.49645 0.50129 0.51722 0.51925 0.52652 0.53540 0.54246 0.54665 0.55481 0.55726 0.56208 0.56852 0.57204 0.57639 0.58439 0.59276 0.59582 0.60473 0.60601 0.61564 0.61809 0.62075 0.62174 0.62938 0.63239 0.64237 0.64808 0.65373 0.65929 0.66415 0.66574 0.67266 0.67817 0.68194 0.68282 0.68742 0.69727 0.70084 0.70804 0.71082 0.71181 0.71826 0.72187 0.72347 0.72915 0.73251 0.73756 0.73839 0.74691 0.74887 0.75266 0.75562 0.75842 0.76627 0.77323 0.77661 0.79131 0.79474 0.79827 0.80634 0.81334 0.81917 0.82577 0.82871 0.84899 0.85167 0.85184 0.85858 0.86228 0.87236 0.87853 0.88744 0.89673 0.90148 0.90641 0.91548 0.91892 0.92440 0.93764 0.95086 0.96362 0.96621 0.97189 0.98523 0.99467 0.99721 1.00031 1.01238 1.01591 1.02985 1.03840 1.05324 1.05985 1.06371 1.06923 1.07590 1.09005 1.09764 1.10862 1.11918 1.12307 1.13628 1.14923 1.15396 1.15634 1.18472 1.19335 1.20491 1.21399 1.23390 1.23656 1.24994 1.25768 1.27940 1.28867 1.29604 1.30543 1.31207 1.32693 1.33027 1.34275 1.35284 1.36075 1.37615 1.38595 1.39872 1.41313 1.42243 1.43331 1.44048 1.44814 1.45738 1.47055 1.47521 1.48943 1.49992 1.50562 1.50957 1.51535 1.51972 1.52711 1.53988 1.54418 1.55144 1.55459 1.56481 1.56658 1.57036 1.57510 1.57828 1.58542 1.59246 1.60018 1.60674 1.60946 1.61614 1.62325 1.62975 1.63709 1.64163 1.65052 1.65651 1.66853 1.67174 1.68283 1.68883 1.69458 1.70916 1.72853 1.73022 1.73091 1.74691 1.75441 1.76189 1.76335 1.76585 1.77702 1.78940 1.79315 1.79652 1.80551 1.81697 1.82380 1.84177 1.84414 1.84997 1.86582 1.87169 1.87947 1.88971 1.89802 1.90737 1.91969 1.92117 1.92959 1.93476 1.94244 1.94848 1.95446 1.97033 1.97887 1.98829 1.99728 2.00508 2.01058 2.01637 2.02935 2.03418 2.04306 2.04987 2.05525 2.06754 2.07322 2.07575 2.08654 2.09130 2.10685 2.13338 2.13723 2.14202 2.16913 2.17749 2.18505 2.19258 2.20496 2.22185 2.22414 2.24149 2.25337 2.27142 2.27602 2.28233 2.30952 2.32761 2.33022 2.34718 2.35807 2.36522 2.37780 2.39116 2.39803 2.41191 2.43618 2.43986 2.45143 2.46578 2.46944 2.47573 2.47936 2.49321 2.50444 2.51127 2.52549 2.53171 2.58059 2.58769 2.59403 2.60197 2.61164 2.63444 2.64195 2.65912 2.66382 2.66821 2.68218 2.69281 2.71331 2.71690 2.72282 2.73128 2.73316 2.74278 2.75723 2.76224 2.76816 2.77913 2.78627 2.78702 2.79831 2.80851 2.81086 2.82111 2.82256 2.84442 2.85530 2.86481 2.87036 2.88398 2.88796 2.89640 2.91097 2.91901 2.92708 2.93378 2.93910 2.94485 2.96077 2.96726 2.97426 2.98680 3.00152 3.00192 3.02015 3.02743 3.03037 3.03734 3.05880 3.06612 3.07787 3.09741 3.12554 3.16537 3.18750 3.19006 3.20431 3.23986 3.26315 3.29896 3.32961 3.35267 3.37004 3.38525 3.39360 3.41829 3.43368 3.46050 3.48825 3.51158 3.54571 3.55560 3.57675 3.58254 3.61678 3.62371 3.63557 3.68435 3.69108 3.72683 3.73074 3.75196 3.77611 3.77942 3.80047 3.82392 3.83247 3.85433 3.85874 3.88600 3.89942 3.93297 3.95086 4.00360 4.00895 4.02472 4.04639 4.06967 4.07434 4.10241 4.14028 4.16953 4.20551 4.21901 4.29742 4.36102 4.38021 4.43655 4.55321 4.60070 4.65392 4.77902 4.85362 4.88222 4.91799 4.98883 5.10247 5.11293 5.27979 5.43810 5.79508 6.37700 6.42319 6.44011 6.48927 6.60867 6.68111 23.63214 23.68212 23.76668 23.87132 23.88428 23.89529 23.92339 23.92916 23.94177 23.95275 23.96781 23.98853 24.01134 24.01360 24.07543 24.10068 24.10657 24.19584 35.50499 35.57272 35.66258 50.04033 66.77488 66.84002 1-A. Mulliken charges: 1 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.105360 -0.089783 -0.446472 0.045107 0.095560 -0.192972 0.097680 -0.100216 -0.882842 -0.529260 -0.354005 -0.450924 1.261841 -0.130006 -0.404217 0.013463 -0.489043 -0.177981 -0.562930 1.164241 -0.744328 0.062374 -0.282598 -0.298621 0.166471 0.169817 0.206669 0.158718 0.170758 0.162745 0.159178 0.166191 0.170974 0.148412 0.160716 0.155193 0.331756 0.158038 0.184324 0.247387 0.200640 0.182418 0.200884 -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 F F O N N N C C C C C C C C C C C C C C C C C C -0.105360 -0.089783 -0.446472 0.376864 0.095560 -0.192972 0.264151 0.069601 -0.676173 -0.199784 -0.032082 -0.113758 1.261841 -0.130006 -0.255805 0.174180 -0.333849 -0.019943 -0.562930 1.164241 -0.744328 0.246698 -0.035210 0.285321 0.00000 1.67752550e+00 -9.74966032e-01 8.41442016e-01 3.89783735e+02 -1.40568435e+01 3.30701555e+02 -1.45816565e+00 -2.14395988e+01 2.48160996e+02 -5.2475 -0.0006 -0.0002 0.0003 5.2968 6.4904 25.3970 29.4299 41.4872 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 24.6828 29.3507 41.4506 51.3837 55.2352 58.5166 67.8123 79.0008 83.4796 114.6637 123.4192 159.1773 171.7351 182.0097 196.1732 229.8142 248.4783 267.9251 275.1320 312.6596 337.4847 361.5365 401.7832 416.5944 441.1310 460.4412 477.0793 515.6148 523.4483 548.1189 569.0235 590.5506 604.6881 621.3176 634.4164 711.0412 723.1639 732.8600 745.5919 762.1242 771.9866 778.7366 798.4897 808.8560 820.9279 833.7836 855.4773 873.1865 876.7014 894.9514 901.4941 912.7076 948.6272 951.3857 968.6074 988.2575 998.3381 1009.0246 1023.6532 1041.1511 1059.2241 1060.7897 1066.6462 1069.7058 1088.0235 1089.8712 1112.1499 1121.6190 1134.4662 1148.8828 1151.4241 1185.5086 1186.2163 1187.6129 1192.8925 1214.6702 1221.5996 1240.9947 1260.8902 1279.3024 1317.0581 1318.4300 1320.8262 1332.5012 1353.6671 1363.0866 1395.8235 1423.1984 1443.8655 1448.5949 1456.3006 1466.7753 1471.0914 1474.9519 1480.1793 1499.2592 1501.8197 1512.9622 1519.9885 1551.9410 1568.6196 1613.5782 1645.5033 1655.0997 3060.0723 3107.3001 3116.2910 3121.3542 3123.8786 3134.1383 3134.5697 3142.6344 3143.4979 3161.3307 3165.7615 3179.3013 3189.4654 3190.1034 3200.5231 3212.0905 3215.9458 3270.5092 3596.8747 5.9749 4.1610 3.6990 5.0236 1.2702 3.8617 4.9737 6.9532 4.3923 5.5464 5.1776 3.7526 5.2133 4.2778 6.0181 4.0780 4.1843 3.8456 3.1893 3.9736 4.4482 8.0691 4.0710 5.6163 6.2474 3.4173 3.7376 3.7074 4.9766 3.5855 4.4354 1.7545 3.5381 3.5062 4.1252 4.2765 8.5710 4.1952 1.5525 1.7484 3.4168 2.4710 4.8499 1.2127 1.6237 1.6517 3.4973 1.6097 1.6841 3.0388 3.4651 3.5788 3.5054 4.5332 1.4117 2.0905 1.3034 1.5034 6.3595 1.3679 1.7922 5.3314 1.3565 1.5106 1.5683 1.5297 2.6400 1.1724 1.1224 2.2884 1.3376 1.3660 1.3266 1.4763 2.2887 2.0513 1.9522 1.9069 2.5440 2.5463 2.8890 1.5142 1.6510 4.1244 1.1186 2.0048 1.7663 3.1806 1.3939 1.6305 1.0895 1.0362 1.5480 2.2478 1.3507 2.0906 1.7174 3.9923 2.2274 2.4272 4.6485 5.8949 4.1538 6.8033 1.0324 1.0533 1.0554 1.0855 1.0589 1.1070 1.0888 1.0906 1.0894 1.1057 1.0868 1.0913 1.0961 1.1185 1.1162 1.0939 1.1150 1.1004 1.0774 0.0021 0.0021 0.0037 0.0078 0.0023 0.0078 0.0135 0.0256 0.0180 0.0430 0.0465 0.0560 0.0906 0.0835 0.1365 0.1269 0.1522 0.1626 0.1422 0.2289 0.2985 0.6214 0.3872 0.5743 0.7163 0.4269 0.5012 0.5807 0.8034 0.6347 0.8461 0.3605 0.7622 0.7975 0.9782 1.2739 2.6409 1.3275 0.5085 0.5983 1.1998 0.8829 1.8219 0.4675 0.6447 0.6765 1.5080 0.7231 0.7627 1.4340 1.6592 1.7565 1.8586 2.4175 0.7804 1.2029 0.7654 0.9018 3.9263 0.8737 1.1847 3.5347 0.9093 1.0185 1.0938 1.0706 1.9239 0.8690 0.8511 1.7797 1.0448 1.1311 1.0998 1.2268 1.9188 1.7832 1.7164 1.7303 2.3830 2.4553 2.9526 1.5508 1.6970 4.3147 1.2076 2.1947 2.0276 3.7957 1.7121 2.0158 1.3614 1.3135 1.9738 2.8812 1.7435 2.7688 2.2822 5.3843 3.0320 3.4444 6.7390 9.0429 6.6267 10.9803 5.6959 5.9920 6.0386 6.2311 6.0885 6.4069 6.3029 6.3461 6.3425 6.5106 6.4172 6.4992 6.5699 6.7066 6.7363 6.6497 6.7942 6.9346 8.2124 0.5877 3.2138 1.8766 1.6617 0.1314 0.2613 0.7645 5.4493 2.4686 2.3803 1.8204 4.9698 2.2540 2.4247 10.4819 7.3782 8.2005 7.7878 7.5969 1.4026 0.8329 34.8452 2.9419 2.6637 2.6765 12.7833 7.1259 8.4321 7.1316 11.4881 7.1841 63.7049 39.6033 6.1124 9.8824 0.8776 7.6390 7.0037 4.3812 57.3175 68.4007 44.9521 88.1998 0.6485 1.2843 62.1358 19.7742 12.9414 6.1324 21.7913 49.9010 15.8816 117.5791 198.3904 6.6239 4.5605 0.0667 2.5592 137.7262 17.8318 27.5183 55.6307 4.2915 2.9311 66.9485 1.6552 27.9727 0.4254 1.6399 103.2314 3.1314 0.5240 0.2259 2.2012 176.5744 1.6302 10.3064 8.8725 12.2641 230.8993 14.6012 15.5631 27.1563 194.0714 7.8994 15.4870 7.3035 13.4492 3.9275 33.6750 3.1268 20.4516 51.8176 164.6699 15.7704 10.2277 2.3870 203.4081 29.2633 457.4600 395.0886 101.3806 92.5741 378.6620 34.2171 31.9829 23.3699 4.5080 18.8163 8.9267 6.5649 14.9700 20.9533 4.4246 1.2861 20.2971 20.2581 13.2836 17.3270 3.7360 16.2563 9.7633 175.3427 -0.04 -0.16 0.18 -0.03 0.06 0.23 0.02 0.00 -0.08 -0.00 0.01 0.03 0.02 0.02 -0.10 -0.00 -0.01 0.03 -0.01 -0.03 -0.09 0.03 0.03 -0.12 -0.02 -0.05 -0.02 -0.04 -0.08 -0.09 0.04 0.04 -0.18 0.07 0.06 -0.12 -0.01 -0.01 0.02 -0.00 0.01 0.04 -0.01 -0.00 0.03 -0.00 0.04 0.06 -0.00 0.02 0.07 -0.00 0.04 0.08 0.00 0.01 -0.02 0.00 0.00 -0.02 -0.01 -0.02 0.08 0.02 0.03 -0.14 -0.04 -0.05 0.20 0.04 0.05 -0.18 -0.01 -0.04 -0.10 0.05 0.04 -0.12 -0.04 -0.07 0.01 -0.03 -0.07 -0.11 -0.07 -0.12 -0.10 0.05 0.07 -0.22 0.01 0.02 -0.20 0.06 0.05 -0.09 0.10 0.10 -0.11 -0.01 -0.02 0.02 -0.00 0.05 0.07 -0.00 0.02 0.08 -0.00 0.02 0.07 -0.00 0.06 0.10 0.04 0.05 -0.24 -0.05 -0.07 0.29 -0.01 -0.09 -0.16 0.06 0.08 -0.35 0.07 0.17 -0.10 0.08 -0.08 -0.03 -0.02 -0.02 -0.04 -0.02 -0.02 -0.18 -0.02 -0.03 -0.09 -0.03 0.00 0.07 -0.01 -0.01 0.09 0.04 0.01 0.01 -0.03 0.04 0.04 0.07 -0.00 0.02 0.11 -0.01 0.07 0.08 0.05 -0.05 -0.06 0.21 -0.08 0.03 0.00 0.03 -0.02 -0.02 -0.04 0.03 0.01 0.11 -0.06 -0.03 -0.04 -0.02 0.01 0.11 -0.06 -0.02 0.03 -0.02 -0.02 -0.12 -0.02 -0.02 -0.05 -0.00 -0.02 0.02 -0.04 0.00 -0.01 0.03 -0.04 0.01 -0.05 0.02 0.17 0.06 0.00 -0.05 -0.13 -0.00 0.15 0.10 -0.01 -0.03 0.09 -0.01 0.13 0.17 -0.03 0.05 0.06 0.00 0.00 0.21 0.03 -0.14 -0.01 0.30 -0.18 -0.17 0.28 -0.04 0.06 0.03 0.16 -0.10 -0.05 -0.10 -0.01 0.02 0.16 -0.01 -0.02 -0.05 -0.10 -0.03 0.03 -0.05 0.01 -0.04 0.04 -0.04 0.06 0.00 -0.14 0.27 -0.05 0.05 0.02 -0.14 0.15 0.29 0.04 -0.03 0.00 0.03 -0.03 0.00 -0.03 -0.03 0.15 -0.00 -0.04 0.04 0.02 0.02 -0.04 0.04 0.02 -0.04 -0.08 0.01 0.05 -0.11 0.03 0.06 -0.04 0.01 0.03 -0.04 0.04 0.06 0.08 0.03 -0.05 -0.08 0.25 -0.04 -0.02 -0.01 0.00 -0.00 -0.04 0.00 -0.01 -0.01 -0.05 0.02 -0.08 -0.04 0.01 -0.05 -0.09 0.02 -0.08 -0.09 -0.01 -0.03 0.09 0.00 -0.02 0.05 0.02 -0.01 0.01 0.00 -0.00 0.02 0.04 -0.02 0.01 0.04 0.05 -0.13 -0.08 -0.00 0.03 -0.23 -0.05 0.16 -0.02 -0.00 0.01 -0.04 0.06 0.09 -0.02 0.05 0.06 0.08 -0.05 -0.03 0.23 0.02 -0.14 -0.03 0.38 -0.12 -0.18 0.32 0.00 -0.03 0.01 -0.05 0.04 -0.10 -0.03 0.01 -0.05 -0.13 -0.00 -0.05 -0.01 0.04 -0.10 -0.12 -0.01 0.00 0.02 0.05 -0.01 0.02 0.00 0.24 -0.23 -0.00 0.03 0.03 0.14 -0.08 -0.26 0.19 -0.17 -0.07 0.03 -0.05 -0.07 -0.08 -0.07 0.10 -0.05 -0.08 -0.07 -0.01 0.07 -0.01 0.05 0.04 -0.00 -0.05 0.04 -0.00 0.03 0.05 -0.04 -0.06 0.03 0.02 -0.10 0.04 -0.04 -0.11 0.06 0.00 0.05 -0.11 0.06 -0.02 0.04 0.02 -0.03 -0.04 -0.03 0.02 0.13 0.09 -0.01 -0.04 -0.03 0.04 0.14 0.10 0.03 0.05 0.03 -0.06 -0.07 0.02 -0.03 -0.04 0.00 0.04 -0.03 0.00 -0.06 0.02 -0.01 0.10 -0.08 0.00 -0.01 0.15 -0.04 -0.07 0.02 0.04 0.15 0.12 -0.14 -0.08 0.02 0.06 -0.08 0.05 -0.10 -0.16 0.02 -0.04 -0.09 0.15 -0.07 -0.27 0.05 0.07 0.00 -0.23 0.17 0.19 -0.13 0.03 0.03 0.19 0.14 -0.02 -0.10 -0.08 0.08 0.21 0.16 -0.06 -0.09 -0.11 0.05 0.06 0.03 -0.11 0.04 -0.01 0.14 -0.07 0.10 0.00 0.18 -0.04 -0.06 0.17 -0.05 0.04 0.17 -0.03 -0.02 -0.00 0.01 0.00 -0.02 0.01 -0.00 -0.00 -0.05 -0.01 -0.00 -0.02 -0.02 -0.02 0.05 -0.02 -0.01 0.02 0.03 0.01 -0.00 0.04 0.01 -0.01 0.01 0.01 0.01 0.01 -0.00 -0.01 0.04 0.01 -0.01 0.05 0.00 0.00 -0.00 0.01 0.01 -0.01 0.00 -0.01 0.00 0.02 0.02 -0.01 -0.00 -0.01 -0.00 0.02 0.02 -0.01 0.01 0.00 -0.01 -0.00 -0.02 -0.01 -0.01 -0.00 -0.01 -0.01 -0.00 -0.02 -0.01 0.02 -0.01 -0.01 -0.00 -0.01 -0.00 -0.03 0.03 0.02 0.00 0.05 0.01 -0.02 -0.00 0.02 0.01 0.01 -0.01 -0.02 0.00 -0.00 -0.01 0.05 0.01 -0.02 0.03 0.01 -0.00 0.05 -0.00 0.01 0.06 0.00 -0.00 0.01 0.02 0.03 -0.02 -0.01 -0.02 -0.00 0.02 0.03 -0.01 0.00 0.00 -0.02 0.00 0.00 -0.02 -0.01 0.03 -0.01 -0.00 -0.01 -0.02 0.53 -0.24 -0.11 -0.10 0.50 0.13 -0.42 -0.39 -0.13 0.06 0.02 0.09 -0.12 0.01 -0.03 -0.03 -0.01 -0.04 -0.03 0.03 -0.02 -0.02 -0.04 -0.01 -0.01 -0.07 0.03 0.05 0.04 0.13 0.04 -0.01 -0.05 0.06 0.07 -0.08 0.02 -0.02 0.19 0.04 -0.04 0.22 0.07 0.04 -0.03 0.04 0.04 -0.03 -0.01 0.02 -0.02 0.06 0.03 -0.02 -0.05 -0.03 -0.00 0.04 -0.01 -0.00 -0.02 -0.04 -0.03 -0.03 0.01 -0.03 -0.03 -0.00 -0.02 -0.02 -0.05 -0.03 -0.03 0.01 -0.01 -0.01 -0.06 -0.04 -0.03 0.04 0.02 0.07 0.09 0.14 0.03 -0.06 -0.10 0.09 0.13 -0.07 -0.01 -0.10 -0.15 0.02 -0.01 0.23 0.03 -0.10 0.16 0.04 -0.03 0.20 0.08 0.11 0.29 0.08 0.03 -0.02 0.10 0.05 -0.01 -0.09 -0.05 0.01 0.06 -0.02 -0.04 -0.02 0.06 0.01 -0.05 -0.08 -0.04 -0.03 0.04 0.00 0.02 -0.19 -0.01 -0.33 0.17 0.02 0.03 -0.27 -0.13 0.21 0.25 0.06 -0.11 -0.05 -0.15 0.09 -0.04 -0.02 0.01 0.20 -0.03 0.02 -0.09 -0.04 -0.04 -0.03 -0.06 -0.04 -0.00 0.09 0.01 0.01 0.07 -0.09 0.04 0.02 0.04 -0.05 0.07 0.02 -0.01 0.25 -0.14 0.09 0.09 0.00 0.00 -0.02 0.03 -0.07 -0.02 0.05 -0.05 -0.02 0.02 -0.04 -0.01 0.10 0.01 -0.01 0.07 0.01 -0.01 0.11 0.04 -0.03 0.01 0.05 -0.04 -0.01 0.01 -0.06 -0.02 0.01 -0.02 -0.03 -0.01 -0.06 -0.03 0.04 -0.03 -0.06 -0.04 0.13 0.07 0.03 -0.05 -0.21 0.07 0.03 0.09 -0.07 0.05 -0.03 -0.02 0.09 0.07 0.00 0.25 -0.30 0.15 0.42 -0.08 0.09 0.14 0.15 -0.06 -0.03 -0.05 0.01 -0.02 -0.00 -0.06 -0.00 0.13 0.03 -0.01 0.07 0.02 -0.06 0.01 -0.18 -0.00 0.16 0.09 -0.01 -0.03 -0.02 -0.08 -0.06 0.17 -0.05 -0.14 -0.02 0.00 -0.05 -0.12 -0.04 -0.00 0.01 0.19 -0.03 -0.15 -0.20 0.20 -0.14 0.05 0.01 -0.19 0.01 0.03 0.21 0.02 -0.04 -0.01 -0.01 -0.03 0.01 -0.05 0.01 0.07 0.07 0.05 0.01 -0.09 0.01 0.12 -0.14 -0.01 0.01 0.05 0.06 -0.04 0.15 0.03 0.07 -0.03 -0.00 0.09 0.00 -0.00 0.13 -0.05 -0.04 -0.00 0.01 -0.05 0.07 -0.04 -0.10 -0.07 -0.01 -0.10 -0.03 0.03 0.01 -0.00 0.02 -0.00 0.02 -0.01 -0.01 0.03 0.03 -0.02 -0.01 -0.03 0.02 -0.00 0.02 -0.07 -0.04 -0.07 0.00 0.12 0.13 0.08 -0.05 -0.14 0.01 0.20 -0.12 -0.02 -0.07 -0.23 -0.03 0.02 0.09 0.11 -0.12 -0.04 0.04 -0.03 0.11 -0.02 0.16 0.25 0.06 0.06 -0.07 -0.04 -0.03 0.02 -0.05 0.09 -0.06 -0.14 -0.15 0.02 0.05 0.30 -0.00 -0.15 -0.09 0.06 -0.02 -0.02 -0.08 -0.04 0.17 -0.00 -0.06 -0.06 0.05 -0.07 -0.03 0.03 -0.08 -0.05 -0.02 -0.00 0.01 -0.08 0.07 0.01 -0.04 0.02 0.18 0.01 -0.01 -0.06 -0.01 -0.02 -0.01 -0.04 -0.01 -0.00 0.14 0.04 -0.03 0.12 0.12 -0.04 0.11 0.03 0.03 0.15 -0.03 0.02 -0.11 0.17 -0.04 0.04 -0.02 -0.02 0.05 0.01 0.04 -0.00 -0.02 -0.04 0.03 -0.02 0.05 -0.05 -0.09 -0.11 -0.03 -0.10 -0.02 -0.07 -0.14 -0.11 -0.01 0.01 0.06 -0.01 0.01 0.03 -0.04 0.01 0.02 0.00 -0.01 0.01 -0.06 0.02 0.03 -0.01 -0.05 -0.02 0.15 0.03 -0.08 0.24 0.24 -0.06 0.13 0.04 0.01 0.14 -0.04 0.07 0.19 -0.08 0.00 -0.14 0.33 -0.06 -0.26 0.11 -0.04 -0.01 -0.19 0.00 0.12 0.01 -0.03 0.07 -0.00 0.11 -0.08 -0.12 -0.16 -0.04 -0.13 -0.02 0.01 -0.02 -0.11 -0.13 -0.20 -0.17 0.02 -0.01 0.02 -0.07 0.00 0.07 -0.03 -0.11 -0.01 0.03 -0.05 -0.07 -0.02 -0.02 0.01 -0.04 0.19 0.03 -0.10 0.18 0.02 -0.07 -0.03 -0.02 0.03 -0.11 -0.07 0.02 0.00 0.01 0.00 0.00 0.02 -0.08 -0.06 -0.00 -0.05 -0.08 -0.01 -0.02 -0.07 -0.01 -0.08 -0.01 -0.03 0.06 -0.10 -0.02 -0.01 -0.02 -0.01 0.04 -0.04 0.01 0.02 -0.13 -0.08 0.11 0.11 0.13 0.03 -0.18 -0.14 0.13 0.12 0.13 0.08 -0.06 -0.04 -0.01 -0.04 -0.01 0.02 0.02 0.03 0.01 0.02 0.03 0.03 0.02 0.01 -0.07 0.10 0.02 0.03 -0.01 -0.03 -0.11 -0.08 0.04 -0.10 -0.13 -0.00 -0.03 -0.11 0.01 -0.06 0.04 -0.08 -0.14 -0.01 -0.02 0.07 -0.17 -0.02 0.11 -0.08 -0.02 0.01 0.06 -0.01 -0.03 -0.03 -0.01 0.14 0.22 0.23 0.00 -0.29 -0.23 0.19 0.24 0.24 0.06 -0.09 -0.00 0.09 -0.08 -0.07 0.05 0.02 -0.00 -0.16 0.04 0.01 0.00 -0.04 -0.03 0.05 -0.00 -0.06 0.04 0.01 -0.01 -0.09 -0.19 -0.03 0.08 0.20 0.10 -0.02 0.03 0.09 0.02 -0.00 -0.01 0.01 0.01 -0.05 0.03 0.04 -0.16 -0.07 -0.02 0.03 -0.03 -0.01 0.01 -0.02 -0.03 0.02 -0.06 0.02 0.01 -0.00 0.00 -0.04 0.03 0.02 0.04 0.01 -0.03 0.01 0.01 -0.02 0.01 0.01 -0.02 0.01 0.01 -0.02 0.01 0.01 -0.02 0.01 0.01 -0.02 0.01 0.01 0.02 -0.02 0.03 0.04 -0.14 0.04 0.06 -0.21 0.02 0.01 -0.04 0.01 0.02 -0.03 -0.04 -0.07 0.24 -0.11 -0.05 0.05 -0.02 -0.00 -0.01 -0.02 -0.06 0.02 -0.05 0.06 -0.00 -0.09 0.02 0.01 0.03 0.01 -0.10 -0.04 -0.01 -0.04 0.02 0.02 0.10 0.09 0.04 0.04 0.01 -0.01 0.01 0.01 -0.02 0.01 0.02 -0.02 0.01 0.05 -0.01 -0.05 0.02 -0.02 0.01 0.00 -0.01 0.07 -0.02 -0.02 0.08 0.14 0.14 0.29 -0.09 -0.14 0.55 -0.23 -0.28 0.13 -0.02 -0.10 -0.02 0.03 0.03 0.02 0.01 -0.00 -0.07 -0.02 0.02 0.15 -0.01 0.01 -0.00 0.01 0.03 -0.11 0.12 0.05 -0.10 0.03 -0.00 -0.05 -0.02 0.04 0.02 0.04 -0.10 -0.07 0.02 -0.05 0.11 -0.13 -0.05 -0.14 -0.03 0.07 0.06 -0.01 0.02 0.06 -0.01 0.11 0.06 0.01 -0.05 -0.03 0.02 0.06 -0.01 0.02 -0.04 -0.08 -0.01 0.00 0.06 -0.02 -0.01 0.09 -0.00 0.02 -0.05 -0.03 -0.02 0.13 0.01 -0.00 -0.01 -0.01 0.01 -0.00 0.18 0.09 -0.14 -0.05 -0.06 0.02 -0.05 0.05 0.06 0.02 -0.18 -0.09 0.03 -0.14 -0.08 -0.06 -0.15 0.28 0.18 0.03 0.13 -0.08 0.01 -0.32 -0.34 -0.13 -0.13 -0.01 0.16 0.08 0.02 -0.12 -0.06 0.04 0.09 -0.04 -0.02 0.03 0.24 0.03 -0.11 -0.15 -0.05 -0.04 0.22 0.02 0.00 0.03 -0.01 -0.02 0.01 -0.00 0.01 -0.03 -0.01 0.03 0.02 -0.06 0.05 0.01 -0.02 0.18 0.04 -0.02 -0.15 -0.10 -0.05 -0.11 -0.04 -0.01 0.01 0.02 0.08 -0.00 -0.11 0.07 -0.01 0.04 0.05 0.03 0.05 0.02 0.01 -0.01 0.09 -0.02 0.06 -0.04 0.07 -0.02 0.02 0.04 0.03 -0.03 -0.04 -0.07 -0.01 -0.04 -0.04 -0.04 -0.07 -0.13 0.06 0.05 0.06 0.02 0.01 -0.05 0.08 0.10 0.08 -0.04 -0.15 -0.01 -0.04 -0.12 0.09 0.06 -0.06 -0.05 -0.09 -0.07 0.16 -0.03 0.00 -0.02 -0.01 0.16 -0.01 0.11 0.01 0.01 0.09 0.08 0.07 0.03 0.09 -0.04 0.07 -0.08 0.12 0.18 0.02 0.06 -0.05 0.17 -0.04 -0.10 0.01 -0.06 -0.00 -0.04 0.03 0.06 0.10 0.04 -0.08 -0.11 -0.20 0.09 0.09 0.13 0.02 0.01 -0.08 -0.10 -0.10 0.02 0.13 0.19 0.17 -0.17 -0.08 0.26 -0.16 -0.08 -0.02 -0.01 0.14 -0.00 -0.11 0.21 -0.11 0.08 0.26 0.04 0.01 -0.08 -0.02 0.07 0.03 0.03 0.05 0.04 -0.07 0.01 0.06 -0.10 0.02 -0.04 0.08 0.02 0.02 -0.09 -0.10 -0.01 0.00 -0.06 -0.02 -0.01 0.02 -0.01 -0.05 -0.03 0.09 -0.00 0.00 -0.02 -0.05 0.05 0.00 0.06 0.02 -0.01 -0.04 -0.02 0.03 -0.08 0.01 -0.02 0.05 -0.11 0.03 -0.06 -0.08 -0.02 0.08 -0.14 -0.01 0.01 0.02 0.05 0.01 0.01 0.01 0.17 0.02 0.04 -0.03 0.01 -0.05 0.26 0.04 0.02 -0.01 0.07 -0.10 -0.12 -0.14 -0.04 0.03 -0.04 -0.02 -0.06 0.05 -0.06 -0.08 -0.01 0.17 0.01 -0.04 0.10 0.00 0.06 -0.03 -0.13 -0.05 -0.03 -0.03 0.03 0.03 0.16 0.14 -0.00 0.04 0.05 -0.03 0.11 -0.15 0.06 -0.10 -0.09 -0.03 0.15 0.01 0.07 -0.03 -0.20 -0.01 0.01 0.02 -0.08 0.38 0.07 0.03 0.02 -0.09 -0.28 -0.16 0.19 -0.08 -0.32 0.15 0.01 -0.05 0.06 0.16 0.05 0.04 0.11 0.04 0.09 -0.12 0.07 -0.05 -0.00 -0.07 0.10 -0.04 -0.04 0.14 -0.09 0.01 -0.01 0.09 -0.07 -0.01 0.04 -0.06 -0.05 0.07 0.01 -0.08 0.03 -0.08 0.04 -0.01 0.09 -0.05 -0.02 -0.05 -0.04 0.08 0.05 -0.05 0.07 0.01 -0.07 0.02 0.07 -0.14 0.06 0.01 -0.17 -0.05 0.01 -0.20 -0.03 -0.01 0.02 -0.11 -0.03 0.06 -0.13 -0.06 0.14 -0.12 0.00 0.06 -0.08 -0.09 0.05 -0.03 0.01 0.08 0.02 0.07 -0.01 0.09 -0.06 -0.06 -0.01 -0.07 -0.07 0.04 0.05 -0.06 0.02 -0.13 -0.14 -0.02 -0.09 0.02 -0.13 0.17 0.13 0.08 0.16 -0.02 0.06 -0.11 -0.14 -0.13 -0.07 -0.03 0.00 0.12 -0.17 0.10 -0.01 -0.20 -0.12 -0.01 -0.12 -0.03 -0.18 -0.25 -0.08 -0.06 0.03 -0.06 -0.13 -0.10 -0.11 -0.04 0.18 0.11 0.10 -0.01 0.02 0.17 0.04 -0.03 0.05 -0.10 -0.04 -0.03 -0.06 0.00 -0.03 0.14 0.01 0.05 0.05 0.06 0.02 -0.06 -0.01 0.07 -0.01 -0.03 0.04 -0.09 0.01 -0.04 -0.06 -0.02 -0.05 0.08 -0.03 -0.01 0.00 0.07 -0.01 0.03 -0.05 -0.02 0.03 -0.03 0.02 0.10 0.04 0.07 0.07 0.07 0.06 0.09 0.01 0.08 0.04 0.03 0.02 0.03 -0.08 -0.01 -0.00 -0.08 -0.05 0.05 0.01 -0.01 -0.03 -0.06 -0.05 -0.01 -0.06 -0.05 -0.08 -0.04 0.02 -0.06 -0.05 -0.05 -0.06 0.25 -0.01 -0.15 -0.05 -0.03 -0.08 -0.05 -0.10 0.12 -0.15 -0.04 0.03 0.21 0.01 -0.03 0.01 -0.03 0.08 -0.12 -0.07 0.03 -0.01 0.04 0.03 0.04 0.09 0.08 -0.09 -0.01 0.10 0.03 0.11 0.03 0.03 0.01 -0.00 -0.14 -0.05 0.04 0.05 -0.04 -0.06 -0.15 -0.13 -0.13 -0.03 0.04 -0.10 -0.07 -0.05 -0.05 0.27 -0.01 -0.25 0.32 -0.14 0.12 0.39 0.05 -0.05 -0.05 -0.04 0.09 0.08 0.01 -0.06 0.01 0.04 0.02 -0.04 -0.08 -0.04 -0.05 0.23 -0.04 -0.03 0.17 0.05 0.02 0.02 0.07 0.05 0.01 -0.05 0.01 0.07 -0.11 -0.03 -0.07 0.01 0.05 0.09 -0.06 0.02 -0.05 0.01 -0.02 0.02 0.01 -0.04 0.01 0.00 -0.04 -0.02 0.02 -0.00 0.05 0.00 -0.04 -0.02 0.03 0.00 0.05 0.00 0.01 -0.08 0.04 0.05 -0.16 0.02 0.03 -0.09 0.01 0.00 0.03 0.02 0.03 -0.07 0.04 -0.02 -0.12 0.03 0.02 0.06 0.05 0.04 0.06 -0.12 0.05 0.18 -0.09 -0.08 -0.22 -0.24 -0.03 -0.05 -0.05 0.02 0.20 0.09 0.08 0.09 -0.03 0.01 -0.18 -0.18 0.01 -0.04 -0.01 -0.06 -0.05 0.03 0.01 0.07 -0.01 -0.07 -0.05 0.04 -0.04 -0.10 0.05 0.03 0.07 0.01 -0.00 0.04 0.02 0.03 -0.06 -0.21 -0.19 -0.21 0.12 0.03 -0.39 0.26 0.14 -0.06 0.01 0.01 -0.02 0.08 0.07 0.02 0.03 0.00 0.04 -0.04 0.05 0.10 -0.01 -0.05 0.10 0.01 -0.05 0.10 -0.01 -0.05 -0.00 -0.06 -0.08 0.02 -0.05 -0.00 -0.04 0.13 -0.11 0.13 -0.04 -0.06 -0.12 0.04 -0.02 0.06 -0.11 0.04 0.00 -0.06 0.04 0.04 -0.08 0.13 0.00 -0.04 -0.02 -0.04 -0.02 0.13 -0.03 -0.02 0.02 -0.09 -0.01 0.00 -0.01 0.02 -0.01 -0.12 0.04 -0.02 -0.05 0.01 -0.03 -0.04 0.04 -0.00 -0.04 0.03 -0.01 -0.04 0.12 0.04 -0.11 -0.04 -0.06 0.01 0.03 0.01 -0.17 0.06 -0.19 0.34 0.37 -0.09 0.11 0.01 0.04 -0.24 -0.14 -0.14 -0.18 0.01 -0.04 0.19 0.19 0.05 0.06 -0.09 0.17 0.00 -0.02 -0.08 -0.05 0.01 0.19 -0.02 -0.04 0.03 0.01 0.01 -0.03 -0.15 0.00 -0.02 -0.06 -0.00 -0.03 -0.05 -0.07 -0.07 -0.08 0.05 0.01 -0.15 0.13 0.06 -0.02 -0.02 -0.01 0.00 -0.03 -0.02 -0.01 0.15 0.04 0.03 0.03 0.08 -0.02 0.01 -0.01 -0.02 0.02 -0.02 -0.02 0.11 -0.09 0.14 0.12 -0.09 0.14 -0.06 -0.01 0.02 -0.09 -0.03 -0.04 -0.06 0.00 -0.07 -0.05 0.02 -0.05 -0.02 -0.04 -0.06 -0.01 0.00 -0.05 0.00 0.01 -0.01 -0.05 -0.01 -0.07 -0.01 0.05 0.04 -0.04 0.02 -0.02 0.05 0.05 0.01 0.01 -0.02 0.01 0.01 -0.03 0.00 0.01 -0.03 0.00 -0.02 -0.02 0.00 0.00 0.08 0.02 0.12 -0.03 0.25 0.13 -0.04 0.24 -0.16 0.11 0.15 -0.08 -0.17 -0.25 -0.24 0.13 0.03 -0.16 0.21 0.01 -0.04 -0.17 -0.28 -0.06 -0.15 -0.21 -0.12 0.25 0.04 0.02 0.02 0.02 -0.06 -0.02 -0.09 0.01 0.10 0.12 0.05 0.08 -0.01 -0.05 0.02 -0.02 -0.00 -0.02 0.00 -0.03 -0.03 -0.01 0.06 0.13 0.04 -0.09 0.10 0.03 0.02 0.10 0.03 -0.04 -0.03 -0.01 -0.03 -0.01 -0.02 0.12 0.05 0.02 0.04 0.04 0.08 0.02 -0.02 0.01 0.01 -0.03 0.02 -0.02 0.04 -0.08 -0.05 0.15 -0.07 -0.05 -0.02 -0.03 0.00 -0.09 0.00 0.04 0.09 0.15 0.04 0.05 0.07 -0.07 -0.10 -0.10 -0.04 -0.10 -0.08 -0.07 -0.10 -0.09 -0.06 -0.14 -0.11 0.00 0.06 0.10 -0.00 0.03 0.08 0.05 0.06 0.03 0.03 0.00 -0.01 0.01 -0.01 -0.01 0.03 -0.02 -0.02 -0.02 -0.01 -0.01 0.02 0.07 0.02 -0.01 0.01 -0.19 -0.05 0.13 -0.10 -0.04 0.03 -0.05 -0.03 -0.13 0.10 0.12 -0.14 -0.03 0.11 -0.08 0.11 0.04 0.25 0.33 0.05 0.18 0.15 0.04 -0.15 0.00 -0.07 -0.15 -0.12 -0.08 -0.17 -0.15 0.06 0.20 0.25 0.11 0.04 0.07 0.04 0.13 0.19 0.04 -0.02 -0.03 -0.02 -0.01 -0.01 0.06 0.11 0.03 -0.07 0.10 0.00 0.06 0.11 0.03 -0.00 -0.00 -0.02 0.04 0.03 0.01 -0.09 -0.03 0.00 -0.03 -0.02 0.27 -0.01 -0.02 0.03 -0.01 -0.03 0.06 0.01 0.05 0.02 0.06 -0.04 -0.01 0.12 0.06 -0.09 0.05 0.29 -0.05 -0.00 -0.03 -0.06 -0.02 -0.04 -0.09 -0.00 -0.03 -0.09 -0.00 -0.02 -0.02 -0.03 -0.09 -0.02 -0.03 -0.06 -0.06 -0.02 0.00 0.11 -0.03 -0.02 0.07 -0.03 -0.03 0.07 0.00 -0.01 -0.05 0.01 -0.02 -0.02 0.00 -0.01 -0.06 0.01 -0.00 -0.03 -0.00 0.00 -0.00 -0.08 0.01 0.17 0.06 -0.05 -0.02 0.14 0.10 -0.12 0.10 0.44 -0.12 -0.05 0.36 -0.02 -0.06 0.03 0.01 0.03 -0.07 -0.13 -0.02 -0.12 -0.19 -0.08 0.04 -0.06 -0.01 -0.12 -0.01 -0.06 -0.02 -0.08 0.02 0.09 0.21 -0.04 -0.02 0.26 -0.04 0.03 0.13 0.01 -0.00 -0.09 -0.01 -0.01 -0.04 -0.02 -0.00 -0.01 -0.01 0.01 -0.03 0.03 0.02 0.00 0.25 0.16 -0.01 0.19 0.09 0.17 0.17 0.03 0.04 -0.02 0.08 0.02 -0.21 -0.00 -0.05 -0.12 -0.01 -0.05 0.00 -0.04 0.00 -0.00 0.04 0.00 0.04 -0.06 0.00 -0.03 -0.03 -0.05 0.00 0.04 0.06 -0.01 0.03 0.02 0.04 -0.06 -0.01 -0.00 0.01 -0.01 0.05 -0.06 -0.01 0.03 -0.03 -0.05 0.08 -0.02 0.03 0.05 -0.01 -0.01 -0.02 0.04 -0.02 -0.17 -0.09 -0.05 -0.08 -0.06 -0.03 -0.23 -0.04 -0.03 0.07 -0.04 0.02 -0.26 -0.10 -0.07 -0.05 -0.09 0.00 0.00 0.05 0.03 0.01 -0.07 0.04 -0.00 0.01 -0.12 -0.11 -0.03 -0.04 0.01 -0.00 0.06 0.01 0.08 0.10 0.01 0.06 0.02 -0.03 -0.01 0.01 0.04 -0.05 -0.02 0.04 -0.06 -0.05 0.09 0.00 0.08 0.02 0.08 0.02 0.02 -0.00 0.01 -0.29 -0.03 -0.02 0.00 -0.08 0.00 -0.30 -0.15 -0.09 -0.15 -0.13 -0.06 -0.30 -0.15 -0.09 0.01 0.01 0.02 -0.02 -0.01 -0.00 0.15 0.01 0.02 0.01 -0.00 -0.10 -0.02 0.04 0.01 0.00 0.04 -0.02 -0.09 0.10 0.03 0.07 -0.03 -0.08 -0.03 0.08 0.15 0.01 0.09 0.18 0.03 -0.05 -0.09 -0.01 -0.12 -0.17 -0.04 0.03 0.11 -0.04 -0.07 0.04 -0.08 -0.05 -0.06 -0.02 -0.13 -0.01 -0.00 0.01 -0.02 0.06 0.04 0.08 0.03 0.02 -0.05 -0.00 0.01 -0.01 -0.00 0.02 -0.01 -0.03 0.03 0.03 0.00 0.00 0.02 -0.01 -0.03 -0.01 -0.10 0.11 0.08 0.07 -0.06 -0.18 0.05 0.04 0.04 -0.01 0.21 0.38 0.14 -0.07 0.11 -0.03 -0.07 0.02 0.09 -0.05 -0.11 -0.00 -0.21 -0.29 -0.09 -0.07 -0.14 -0.15 -0.09 -0.18 -0.03 -0.25 -0.09 0.01 0.03 -0.07 0.08 -0.01 -0.16 0.13 0.10 0.14 -0.05 0.03 0.05 0.01 0.01 0.03 -0.05 -0.06 -0.02 0.06 -0.04 -0.01 -0.04 -0.05 -0.02 -0.13 -0.07 -0.02 -0.00 0.04 -0.08 0.26 -0.17 0.02 -0.03 -0.06 0.03 -0.03 0.22 0.03 0.03 0.17 0.13 0.03 -0.01 -0.01 -0.01 0.00 0.02 0.01 -0.01 -0.06 0.01 0.01 -0.05 -0.01 0.01 0.02 0.00 0.03 0.04 -0.02 -0.02 -0.05 -0.00 -0.01 -0.02 -0.00 0.02 0.04 0.01 0.02 0.02 -0.02 -0.01 0.01 -0.02 -0.04 -0.01 0.02 -0.15 0.03 -0.02 -0.03 0.05 0.02 0.03 0.05 -0.07 0.19 -0.06 0.01 0.04 -0.05 -0.00 -0.14 -0.03 0.03 -0.01 -0.02 -0.01 0.01 0.04 -0.01 0.02 -0.05 0.01 -0.02 -0.10 -0.02 0.06 -0.03 0.01 0.02 -0.01 -0.02 0.01 0.02 0.00 0.05 0.07 0.03 0.02 0.03 0.03 0.05 0.10 0.02 0.07 0.06 -0.01 0.00 0.02 -0.09 -0.06 0.03 -0.04 -0.05 -0.03 -0.18 0.25 -0.20 0.04 0.06 -0.07 -0.17 -0.29 -0.08 0.36 -0.24 0.04 -0.18 -0.30 -0.10 -0.07 -0.07 -0.17 0.20 0.11 0.03 0.02 -0.01 -0.04 0.00 -0.03 -0.10 0.01 -0.08 -0.13 -0.12 -0.11 0.16 -0.03 0.02 0.01 0.01 -0.00 -0.02 -0.02 0.02 0.06 -0.01 -0.02 0.05 0.00 -0.01 -0.02 -0.01 -0.03 -0.03 0.02 0.02 0.03 -0.00 -0.02 -0.04 0.02 0.01 0.01 -0.00 0.02 -0.00 -0.01 -0.02 -0.03 -0.00 0.03 0.02 -0.00 0.00 0.12 -0.03 -0.01 0.30 -0.10 0.01 0.18 0.09 -0.02 -0.13 -0.00 0.09 -0.13 -0.04 0.08 0.01 -0.02 0.02 0.00 0.00 -0.01 -0.04 -0.02 -0.00 0.06 -0.02 -0.02 0.11 0.04 -0.07 0.03 -0.01 -0.02 -0.00 0.02 -0.01 -0.02 -0.00 -0.04 -0.05 -0.02 -0.02 -0.03 0.02 0.02 0.01 -0.00 0.03 0.00 -0.03 -0.07 -0.06 -0.01 0.04 0.22 0.01 0.06 0.05 0.26 0.02 -0.45 0.06 0.14 -0.19 0.15 0.20 0.09 -0.25 0.11 0.08 -0.05 0.11 0.04 0.03 0.01 -0.00 -0.00 -0.02 0.03 0.06 0.02 0.00 0.03 -0.04 -0.00 -0.01 -0.03 0.00 -0.03 -0.01 -0.03 -0.03 0.00 0.02 0.06 0.03 -0.03 -0.05 -0.01 -0.08 0.01 0.06 0.07 0.02 0.04 0.03 0.01 -0.02 -0.06 -0.11 -0.12 -0.15 -0.03 -0.15 -0.08 -0.02 0.12 0.12 0.06 0.05 0.17 -0.05 -0.02 -0.03 -0.01 -0.11 -0.03 0.02 0.03 -0.01 0.02 0.03 -0.02 -0.02 0.03 -0.02 0.02 -0.01 0.01 -0.01 0.02 0.02 -0.02 0.02 0.00 -0.03 0.01 0.05 0.09 0.05 -0.06 -0.02 0.10 -0.15 -0.02 0.05 0.20 0.16 0.11 0.06 -0.01 -0.00 0.09 0.06 0.09 0.07 0.02 -0.07 -0.16 -0.07 -0.02 -0.05 0.08 0.32 0.38 0.13 0.29 0.41 -0.02 0.04 -0.05 0.11 -0.04 0.00 0.04 -0.13 -0.07 0.05 -0.03 0.05 0.01 0.03 0.03 0.00 0.05 0.01 -0.08 0.04 -0.02 0.02 0.05 0.01 0.04 0.01 -0.02 -0.01 -0.03 0.05 0.07 -0.02 0.01 0.06 -0.08 -0.04 -0.03 -0.04 0.00 -0.06 -0.01 -0.04 0.13 0.12 -0.09 -0.10 -0.07 0.05 -0.04 0.15 -0.04 0.04 0.03 -0.12 -0.04 -0.08 -0.07 -0.02 0.04 0.11 -0.03 0.09 0.02 0.04 -0.08 0.00 -0.07 -0.00 0.03 0.02 -0.09 0.04 -0.07 -0.05 0.00 0.03 -0.06 0.12 0.05 -0.01 -0.01 0.03 0.05 -0.02 -0.05 0.06 -0.02 0.04 0.00 0.02 -0.03 0.05 0.02 -0.04 0.03 -0.00 0.27 0.24 -0.15 -0.18 -0.13 0.10 -0.07 0.16 0.01 0.03 -0.14 -0.26 -0.04 0.10 -0.09 -0.00 0.05 -0.19 -0.13 -0.21 -0.18 -0.05 0.10 0.31 0.17 0.05 0.08 -0.04 -0.06 0.04 -0.01 -0.08 0.00 -0.06 -0.04 -0.11 0.09 -0.05 0.13 0.09 -0.02 0.16 0.08 -0.02 0.06 0.02 0.07 0.05 -0.02 0.06 0.01 -0.12 0.05 -0.02 0.00 0.07 0.01 -0.04 -0.02 0.03 0.03 0.05 -0.06 0.01 0.09 -0.01 -0.04 0.06 -0.10 0.03 -0.00 -0.04 0.03 -0.02 0.03 0.04 -0.06 -0.02 0.01 -0.00 0.02 0.11 -0.07 -0.08 0.05 0.09 -0.11 -0.01 0.02 0.03 0.00 0.04 0.03 -0.12 -0.04 0.07 -0.10 -0.03 0.14 -0.14 0.02 0.01 0.01 -0.11 0.11 0.02 0.05 -0.02 0.08 -0.06 -0.00 -0.04 0.09 -0.05 -0.04 -0.03 0.07 0.02 -0.05 0.06 -0.02 -0.03 0.00 0.04 -0.03 -0.02 0.04 -0.01 0.00 -0.02 -0.10 0.04 0.01 0.02 0.07 0.16 -0.05 -0.16 0.14 0.26 -0.29 -0.18 0.12 -0.07 -0.00 0.03 0.02 -0.02 0.02 0.04 0.00 0.05 0.04 0.00 0.03 0.03 -0.23 0.06 -0.08 0.06 -0.27 0.09 0.06 0.11 -0.13 0.06 -0.01 -0.46 0.16 -0.13 -0.10 -0.02 -0.02 -0.05 0.02 -0.05 -0.05 0.06 -0.00 0.02 0.04 -0.01 0.03 0.00 -0.02 0.00 -0.06 -0.01 0.08 0.02 0.08 -0.10 -0.09 0.15 -0.01 0.04 0.07 0.05 0.00 0.06 -0.03 0.10 -0.00 0.06 0.04 0.12 -0.03 -0.05 -0.02 -0.00 -0.09 0.12 0.07 -0.02 -0.02 0.02 -0.01 -0.05 -0.06 -0.01 -0.02 0.02 0.03 -0.00 -0.05 0.00 -0.10 -0.16 0.06 -0.00 0.08 0.06 0.01 -0.02 0.01 -0.12 -0.03 0.04 -0.01 0.08 -0.02 0.13 0.01 -0.08 -0.10 0.04 0.08 -0.15 0.04 -0.11 -0.03 -0.02 0.08 -0.14 -0.04 0.01 -0.05 -0.01 0.14 0.20 -0.09 -0.10 -0.08 -0.02 -0.11 0.12 0.10 -0.07 -0.19 0.06 0.06 -0.05 0.00 -0.00 0.00 -0.10 -0.04 -0.12 -0.12 -0.03 0.01 0.11 0.08 -0.02 -0.00 0.15 0.09 0.25 0.08 0.18 0.11 0.01 -0.13 -0.04 0.15 0.04 -0.11 0.03 0.11 0.23 -0.23 0.01 -0.09 -0.04 -0.20 -0.10 -0.03 -0.10 -0.02 0.14 -0.09 0.03 -0.09 -0.12 -0.04 0.01 0.01 -0.01 -0.02 -0.02 0.02 0.06 0.00 0.01 -0.07 0.01 0.06 0.02 -0.01 0.03 0.01 -0.00 -0.01 0.00 -0.06 -0.00 -0.02 0.00 -0.00 0.14 -0.06 0.09 0.03 -0.01 -0.06 -0.00 -0.01 0.01 -0.01 0.01 0.02 -0.00 -0.01 0.10 -0.13 -0.13 -0.15 0.03 0.10 0.07 -0.06 -0.02 -0.06 -0.04 -0.07 -0.18 0.02 0.18 0.04 -0.04 0.01 0.03 0.00 0.02 -0.04 0.00 0.02 -0.04 0.02 -0.00 -0.02 -0.02 0.01 0.01 0.05 0.01 0.01 -0.11 -0.15 0.03 -0.02 0.01 0.03 0.16 -0.12 0.07 0.11 0.22 -0.19 -0.21 -0.13 -0.06 0.01 -0.02 -0.02 -0.02 0.00 0.02 -0.00 0.05 0.04 0.00 -0.01 0.01 0.01 0.26 0.14 0.02 0.04 0.08 -0.09 -0.20 -0.26 -0.02 0.05 0.28 0.11 0.37 0.25 0.03 -0.01 -0.00 -0.02 0.01 0.03 0.03 0.01 0.00 0.03 0.01 -0.00 0.07 0.02 0.02 -0.02 -0.03 0.23 0.05 0.07 -0.21 0.04 -0.06 -0.02 -0.00 -0.02 0.08 -0.06 -0.11 -0.01 -0.08 -0.05 -0.04 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.02 -0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.02 0.01 0.01 -0.00 -0.00 -0.03 0.02 0.01 -0.00 -0.02 0.01 -0.03 -0.01 -0.01 -0.02 -0.02 0.04 -0.00 0.00 -0.06 0.01 0.03 0.06 0.01 -0.03 0.11 0.00 0.06 -0.02 -0.01 0.17 0.08 0.06 -0.14 0.02 -0.02 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.03 -0.03 -0.01 -0.01 -0.01 -0.01 -0.03 -0.04 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.03 0.02 0.01 -0.01 0.03 -0.01 -0.02 -0.04 -0.00 -0.03 -0.17 -0.64 -0.02 0.07 0.03 0.20 -0.07 0.02 0.34 0.17 0.11 -0.07 0.08 -0.00 -0.29 0.06 -0.05 -0.05 0.09 0.01 -0.01 -0.00 0.08 0.00 0.03 -0.07 -0.01 0.03 0.01 0.05 -0.05 -0.08 -0.02 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.04 0.01 0.01 0.00 -0.00 0.01 -0.02 -0.03 0.02 0.01 -0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.01 0.02 0.00 0.05 -0.02 0.04 0.00 0.04 -0.04 -0.04 -0.03 0.04 -0.07 0.05 -0.02 -0.03 0.01 0.01 0.03 0.03 0.03 0.00 -0.01 -0.01 0.02 -0.02 -0.01 -0.02 -0.01 -0.01 0.04 -0.03 -0.00 -0.05 -0.01 -0.01 -0.03 -0.06 0.02 0.03 0.03 0.00 -0.01 -0.01 0.01 0.02 0.04 0.01 0.03 0.04 0.00 0.00 -0.01 0.02 0.00 0.03 0.03 0.01 0.01 -0.03 -0.02 0.00 0.00 0.00 -0.02 -0.07 -0.08 -0.04 -0.02 -0.08 0.02 -0.04 0.06 0.15 0.93 0.04 -0.02 -0.04 -0.03 -0.00 -0.02 0.04 -0.03 0.00 -0.06 -0.01 -0.01 -0.04 -0.01 -0.01 -0.05 -0.01 -0.01 0.01 -0.01 0.06 -0.00 -0.00 -0.05 0.06 -0.02 0.01 -0.17 0.05 -0.10 0.02 -0.05 0.06 -0.01 -0.01 -0.04 0.01 0.04 -0.01 -0.02 0.00 -0.01 -0.01 0.03 0.03 -0.00 0.01 0.00 -0.00 -0.02 -0.02 -0.01 -0.01 0.00 -0.07 -0.04 -0.01 -0.11 0.08 -0.03 -0.07 -0.11 0.08 0.12 0.08 -0.06 0.16 -0.09 0.08 0.08 -0.07 -0.04 -0.10 0.00 0.02 -0.03 0.02 -0.01 -0.00 0.05 -0.04 0.03 -0.02 -0.05 0.03 0.05 0.02 0.07 0.01 0.02 0.01 0.04 -0.01 -0.04 -0.02 -0.01 -0.05 0.09 0.09 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.03 -0.01 -0.03 -0.03 -0.01 0.02 0.04 0.02 -0.02 -0.01 -0.10 -0.04 0.07 0.17 0.04 -0.01 0.21 0.02 0.08 -0.21 0.21 0.70 -0.10 -0.09 -0.02 0.08 -0.02 -0.10 0.08 0.07 0.05 0.05 0.03 0.01 0.01 0.03 -0.01 0.13 0.04 0.03 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.06 0.10 -0.03 -0.06 0.01 -0.02 0.10 0.05 0.22 0.02 -0.00 -0.02 -0.00 -0.07 -0.05 -0.03 -0.01 0.02 0.01 -0.14 -0.02 -0.04 -0.08 0.01 0.06 -0.04 -0.14 -0.08 0.05 0.14 0.03 0.13 0.04 -0.09 -0.01 -0.17 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.02 -0.03 -0.16 -0.08 0.00 0.10 0.10 0.22 0.09 0.18 -0.15 -0.21 -0.24 -0.07 0.02 -0.01 -0.12 -0.05 -0.12 -0.09 -0.04 0.08 0.17 0.09 -0.10 -0.03 0.07 0.11 -0.04 0.02 0.17 0.33 0.07 0.26 0.36 0.03 -0.00 0.04 -0.01 -0.02 -0.20 -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 0.02 0.01 0.00 -0.02 -0.01 0.02 -0.02 0.02 -0.04 0.04 -0.00 -0.03 -0.06 -0.05 0.29 0.05 0.05 -0.21 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 0.02 -0.01 0.02 0.01 0.01 -0.02 -0.02 -0.02 0.03 -0.02 0.02 -0.00 -0.01 -0.00 0.00 0.01 0.02 0.12 -0.03 -0.04 0.17 0.02 -0.02 -0.06 0.03 0.05 -0.23 -0.01 -0.04 0.00 -0.02 -0.01 0.03 0.01 0.01 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 -0.01 -0.03 -0.03 -0.03 0.01 -0.03 0.01 -0.01 0.05 -0.05 -0.28 0.02 -0.02 -0.03 0.11 0.16 -0.72 -0.05 -0.07 -0.00 -0.21 -0.04 -0.09 0.02 0.00 -0.06 0.18 0.03 0.00 0.01 -0.00 0.03 0.03 0.02 -0.03 0.05 -0.01 0.02 -0.07 -0.00 0.02 0.04 -0.02 0.02 -0.10 0.02 -0.05 0.05 0.04 -0.02 -0.01 0.00 -0.00 -0.10 -0.01 -0.09 -0.01 0.06 0.03 0.00 0.01 -0.00 0.00 -0.01 -0.01 0.08 -0.08 -0.03 0.00 -0.02 0.11 0.22 0.03 -0.04 -0.12 -0.09 0.09 0.03 -0.02 -0.03 -0.02 0.08 0.01 -0.09 0.01 -0.07 -0.12 -0.01 -0.03 -0.11 0.03 0.05 -0.08 -0.07 -0.03 0.01 0.03 0.01 0.24 0.01 0.05 0.17 0.14 -0.09 -0.02 -0.01 0.00 -0.15 0.02 -0.02 -0.08 -0.18 0.07 0.16 0.31 0.08 0.01 0.02 -0.02 -0.01 -0.00 -0.00 0.00 0.01 0.02 0.02 -0.04 -0.02 0.24 -0.02 -0.05 -0.13 -0.28 -0.02 -0.09 -0.26 -0.00 -0.04 0.00 0.06 0.05 -0.01 -0.11 -0.17 -0.04 -0.06 0.09 0.07 0.02 0.23 0.03 0.04 0.18 0.03 0.04 0.25 0.03 0.06 -0.06 -0.04 -0.07 0.08 0.05 -0.03 -0.03 -0.01 0.11 0.02 0.01 0.08 -0.03 -0.03 0.13 0.06 0.05 -0.29 -0.02 -0.04 0.02 -0.00 0.01 -0.01 0.05 0.02 0.05 0.02 -0.03 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.02 0.04 -0.01 0.03 0.01 -0.04 -0.08 0.00 0.00 0.05 0.02 -0.06 -0.05 0.01 -0.01 0.01 -0.05 0.01 0.05 -0.02 -0.36 0.02 0.00 -0.12 -0.10 -0.10 0.55 -0.00 -0.01 -0.00 -0.01 0.06 0.02 -0.01 -0.01 0.02 -0.11 -0.11 0.06 0.01 0.02 0.00 0.03 0.03 0.07 0.04 0.06 -0.02 -0.05 -0.12 -0.04 0.02 -0.03 -0.03 -0.01 0.02 0.03 0.01 0.03 -0.02 -0.03 -0.02 0.00 -0.03 0.06 0.10 0.05 0.18 0.03 0.03 0.17 0.06 0.02 0.06 0.32 0.03 0.07 0.15 -0.01 -0.01 0.01 0.07 0.13 -0.10 -0.12 -0.00 -0.05 -0.00 0.01 -0.03 0.12 0.01 -0.00 0.02 0.01 0.05 0.02 0.02 -0.02 0.03 0.02 -0.01 0.04 -0.07 0.03 0.04 0.00 -0.00 -0.14 0.03 -0.00 -0.08 -0.03 0.01 0.04 -0.03 0.02 0.07 0.02 0.03 0.00 -0.08 -0.03 -0.01 0.00 0.02 0.01 0.02 0.01 0.04 0.16 0.04 0.06 -0.06 -0.13 -0.10 -0.00 -0.06 0.10 0.06 -0.01 -0.10 0.10 0.06 -0.02 -0.12 0.01 -0.02 0.02 0.03 -0.11 -0.01 -0.01 -0.12 0.03 -0.06 -0.09 -0.05 -0.03 0.01 -0.05 -0.01 0.23 0.02 0.05 -0.18 -0.10 0.09 0.07 -0.02 -0.03 0.13 -0.09 -0.03 0.03 0.10 0.03 -0.05 -0.32 -0.10 -0.08 -0.00 0.13 0.10 -0.00 -0.04 -0.01 -0.12 -0.04 0.02 0.18 0.07 -0.09 -0.16 -0.13 0.05 0.28 0.04 -0.05 0.19 -0.02 0.07 -0.10 -0.11 0.00 -0.12 0.01 -0.22 -0.01 -0.06 0.03 -0.04 0.01 0.24 0.03 0.05 0.19 0.03 0.05 0.22 0.02 0.06 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.02 -0.00 -0.00 -0.06 0.11 -0.07 0.07 -0.06 0.04 0.01 -0.02 -0.05 -0.03 -0.03 -0.02 -0.03 0.00 0.05 0.01 0.06 0.02 0.00 -0.02 0.01 -0.02 -0.00 0.02 0.03 -0.01 -0.00 -0.03 -0.01 0.01 0.02 -0.02 -0.01 -0.00 0.02 -0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 0.02 0.01 0.00 0.00 -0.00 0.01 0.00 -0.03 -0.00 -0.01 -0.06 0.13 -0.01 0.01 -0.16 -0.06 0.10 -0.12 -0.17 -0.03 0.11 0.13 0.07 -0.27 -0.11 -0.27 0.09 0.40 0.27 -0.10 -0.21 -0.09 -0.31 0.09 0.24 0.40 0.10 0.03 0.04 0.02 -0.00 -0.02 0.05 0.03 -0.01 0.06 -0.00 0.02 0.08 0.01 0.05 0.02 0.02 -0.00 0.02 0.00 0.01 -0.00 -0.03 -0.00 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 -0.01 0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.02 -0.02 0.02 0.01 0.03 -0.01 0.00 0.00 -0.01 -0.03 0.00 0.02 -0.01 -0.01 0.01 0.00 0.00 -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 -0.01 -0.02 -0.04 0.05 0.08 0.09 -0.02 0.00 -0.02 -0.01 -0.06 -0.05 -0.05 -0.06 -0.08 0.01 -0.04 0.00 0.02 -0.02 -0.08 -0.02 -0.02 0.07 -0.01 0.02 -0.08 -0.01 -0.01 0.01 -0.00 0.00 0.00 0.03 0.00 0.00 -0.03 -0.03 0.02 0.00 0.01 -0.00 0.01 0.03 0.01 0.01 0.01 0.00 0.00 -0.04 -0.02 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.13 0.30 0.35 0.05 0.12 0.13 0.14 0.39 0.37 -0.03 0.05 0.04 0.18 0.34 0.42 0.00 0.04 -0.18 0.01 0.01 0.02 0.04 0.01 0.01 0.02 0.00 0.01 0.02 0.00 0.01 -0.01 0.00 -0.01 0.03 0.03 -0.01 0.01 -0.01 -0.09 0.01 -0.02 -0.09 -0.00 0.01 0.02 -0.03 0.03 -0.05 0.01 -0.01 0.00 -0.00 -0.00 0.00 -0.02 -0.01 -0.02 -0.00 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.02 0.00 0.04 0.05 -0.02 -0.02 -0.01 -0.02 -0.03 -0.02 0.00 -0.04 -0.04 -0.01 -0.01 -0.04 -0.00 0.00 0.32 0.04 0.05 -0.19 -0.06 -0.05 0.14 0.01 0.01 -0.04 -0.00 -0.07 -0.01 0.02 0.00 0.01 0.06 0.04 -0.03 0.01 0.01 0.01 0.00 -0.04 -0.04 -0.00 -0.03 -0.03 -0.02 0.08 0.03 0.02 0.00 -0.03 -0.03 0.01 0.02 0.02 0.02 -0.03 -0.03 -0.03 -0.00 0.05 0.17 0.19 0.05 0.08 0.14 0.12 0.25 0.29 -0.04 -0.03 -0.15 0.09 0.26 0.27 -0.13 -0.10 0.54 -0.03 -0.08 -0.06 0.00 0.01 -0.01 0.03 0.01 -0.01 0.05 0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.01 0.02 0.02 0.01 -0.03 -0.01 0.02 -0.00 -0.01 -0.00 0.05 -0.02 0.01 0.01 -0.03 -0.01 -0.00 -0.02 0.01 -0.07 -0.03 -0.09 -0.00 0.04 0.02 -0.00 0.02 0.01 0.02 0.00 -0.00 0.07 0.13 0.18 -0.05 -0.09 -0.07 0.03 -0.05 -0.06 -0.03 -0.00 0.04 0.04 0.01 0.02 -0.04 -0.05 -0.10 -0.03 0.02 -0.04 -0.01 -0.00 0.02 0.05 0.01 -0.00 -0.00 -0.01 0.00 0.01 0.06 0.01 -0.04 -0.01 -0.01 0.20 0.12 -0.12 0.08 0.06 -0.01 -0.05 -0.21 -0.09 -0.03 -0.14 -0.05 0.03 0.32 0.11 0.03 -0.02 -0.03 -0.04 0.06 0.08 0.05 0.01 -0.10 -0.08 0.03 0.02 -0.00 -0.09 -0.12 0.12 0.30 0.39 0.11 0.18 0.31 0.03 -0.01 0.04 0.09 0.25 0.24 0.04 -0.00 -0.07 0.02 0.06 0.02 -0.04 -0.01 -0.01 -0.03 -0.01 -0.01 -0.04 -0.01 -0.01 -0.02 -0.04 -0.05 -0.03 -0.06 0.02 0.02 0.03 -0.03 -0.04 0.03 -0.03 0.00 -0.03 -0.00 0.17 -0.08 0.02 -0.05 -0.02 0.03 0.02 0.00 0.00 0.04 0.07 0.03 0.02 -0.04 -0.05 -0.00 -0.02 -0.00 -0.00 0.00 0.02 0.05 0.02 -0.08 0.05 0.02 0.01 0.05 0.04 -0.06 0.03 -0.05 0.03 -0.09 0.03 -0.01 0.02 -0.08 0.09 -0.10 0.04 0.12 -0.08 -0.07 -0.07 0.12 0.06 0.03 -0.12 -0.11 -0.07 0.02 0.34 0.09 -0.03 -0.02 -0.01 -0.18 -0.12 0.12 0.05 0.03 -0.01 -0.00 0.12 0.08 -0.01 -0.01 0.11 0.12 -0.20 -0.11 0.04 -0.02 -0.07 -0.06 -0.01 0.03 0.03 0.04 -0.08 -0.11 0.01 0.04 0.16 0.01 0.07 -0.04 -0.05 -0.07 -0.07 0.08 -0.01 -0.06 0.00 -0.14 0.12 -0.11 0.03 -0.26 -0.13 0.09 0.20 0.45 0.15 -0.06 -0.05 -0.02 0.02 -0.03 -0.01 -0.05 -0.05 -0.02 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.03 -0.07 0.03 -0.05 0.04 -0.04 -0.01 0.01 0.03 0.03 0.02 0.00 -0.01 0.00 -0.04 -0.03 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 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 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.04 -0.10 -0.07 0.03 0.10 -0.09 -0.09 0.08 0.14 0.03 -0.11 -0.11 -0.02 0.23 0.08 -0.10 -0.40 0.26 0.45 0.21 -0.01 -0.16 -0.30 0.26 0.37 0.16 -0.02 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.02 -0.01 -0.01 -0.01 -0.04 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 0.01 -0.00 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 -0.04 -0.03 -0.00 0.06 0.01 -0.03 -0.01 0.07 0.01 0.04 -0.00 -0.07 -0.05 -0.09 -0.03 -0.02 0.04 0.11 0.01 0.00 -0.01 -0.02 -0.01 0.01 0.03 -0.01 -0.01 -0.02 -0.02 0.03 0.02 -0.01 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.02 0.01 -0.00 -0.01 -0.00 0.03 0.02 0.01 -0.00 -0.05 -0.01 -0.01 0.00 -0.00 -0.10 -0.06 0.06 0.38 0.25 -0.22 -0.05 0.12 0.06 -0.02 -0.05 0.12 0.21 -0.07 -0.12 0.09 -0.36 -0.17 0.00 0.09 0.16 0.05 0.01 -0.27 -0.32 0.33 0.25 0.04 -0.00 0.00 -0.01 -0.05 0.03 0.01 -0.04 0.03 -0.03 -0.00 -0.02 0.01 -0.01 -0.02 0.08 0.01 0.03 -0.04 -0.08 -0.02 -0.01 0.01 -0.00 -0.02 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.01 -0.00 0.00 0.01 0.00 0.02 0.01 0.00 -0.05 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.04 -0.09 0.01 -0.01 -0.03 0.00 -0.02 0.07 0.02 0.04 0.02 -0.11 0.01 0.05 0.05 0.03 0.00 -0.06 0.03 0.03 0.01 -0.02 -0.01 -0.00 0.04 0.00 -0.02 -0.01 -0.02 0.03 0.00 -0.00 0.00 0.00 -0.03 0.01 -0.04 0.01 -0.01 0.01 0.03 0.01 0.00 -0.01 0.00 0.04 0.03 0.01 -0.00 -0.06 -0.01 -0.02 -0.00 -0.00 -0.27 -0.25 0.16 -0.22 -0.17 0.16 -0.18 0.22 0.24 -0.07 -0.09 0.27 0.41 -0.01 -0.17 -0.08 0.26 0.13 -0.06 -0.07 -0.06 -0.00 0.06 0.14 0.16 -0.16 -0.14 0.05 -0.04 -0.03 0.01 0.00 0.07 0.00 0.00 0.04 -0.07 -0.01 -0.06 0.05 0.01 0.04 0.11 -0.00 0.06 -0.05 -0.09 -0.03 -0.01 0.01 -0.00 -0.03 0.00 -0.01 -0.01 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.04 0.00 -0.01 0.17 -0.06 -0.00 -0.01 0.01 -0.01 -0.02 0.00 -0.01 0.01 -0.06 -0.04 0.03 -0.03 -0.04 -0.06 0.03 0.03 0.04 0.07 -0.08 -0.03 -0.02 0.03 0.01 0.05 0.01 -0.08 -0.04 0.06 0.00 -0.01 0.03 -0.10 -0.04 0.11 -0.05 0.04 -0.04 0.12 -0.05 0.01 -0.04 0.14 -0.12 0.13 -0.01 0.03 -0.01 -0.07 -0.02 -0.02 0.01 -0.01 -0.10 -0.07 0.01 -0.01 0.12 0.03 0.05 0.00 0.01 -0.13 -0.15 0.08 -0.01 -0.05 0.01 -0.17 0.18 0.17 -0.04 0.01 0.21 0.33 0.07 -0.12 -0.06 0.05 0.05 -0.06 -0.04 0.03 0.02 0.10 0.04 0.03 0.04 0.00 -0.25 -0.01 -0.07 0.04 0.07 0.08 0.09 -0.12 -0.00 0.20 -0.06 -0.01 -0.18 0.20 -0.03 -0.27 0.05 -0.30 0.10 0.18 0.06 0.03 -0.02 0.01 0.08 -0.01 0.02 0.02 -0.02 0.00 0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.03 -0.02 0.01 0.02 0.05 -0.00 -0.01 -0.00 0.02 -0.01 -0.00 0.01 0.02 0.01 -0.01 0.02 0.01 -0.01 0.00 -0.02 -0.00 -0.01 0.01 0.00 -0.00 -0.02 -0.00 -0.01 0.01 0.01 -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 0.03 0.03 -0.02 -0.04 -0.03 0.01 0.02 0.01 -0.00 -0.02 -0.01 0.03 -0.02 -0.05 -0.01 -0.03 0.09 -0.00 0.01 -0.03 0.02 0.03 -0.16 -0.01 0.02 0.00 0.01 0.00 0.01 -0.04 -0.03 0.02 -0.00 0.00 0.00 -0.04 0.03 0.05 -0.02 0.02 0.05 0.04 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.03 -0.02 -0.02 0.02 0.03 0.01 -0.01 0.00 -0.09 -0.15 -0.19 0.07 0.18 0.21 -0.04 -0.09 -0.14 0.01 0.06 0.02 0.05 0.08 0.10 -0.20 -0.17 0.81 0.01 0.03 0.01 -0.03 0.00 -0.02 0.02 0.00 -0.02 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.02 0.03 0.01 0.01 -0.07 0.03 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.03 -0.04 -0.00 -0.02 -0.05 0.00 -0.03 0.04 0.02 0.04 0.00 -0.01 -0.01 0.03 0.02 0.04 0.01 -0.03 -0.00 0.02 0.02 0.00 -0.02 -0.01 -0.04 -0.07 -0.04 0.02 0.08 0.04 0.01 -0.04 -0.02 -0.00 0.07 -0.00 -0.01 0.02 -0.05 -0.02 -0.00 0.05 0.01 0.00 -0.01 0.01 0.01 -0.09 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.08 0.05 -0.06 0.01 -0.02 -0.02 0.04 -0.05 -0.07 0.05 -0.01 -0.08 -0.04 0.05 0.01 -0.02 0.02 0.03 -0.04 0.06 0.07 0.05 0.00 -0.07 -0.01 0.05 -0.00 0.11 0.30 0.36 -0.13 -0.32 -0.38 0.09 0.15 0.24 0.05 -0.08 0.01 -0.14 -0.14 -0.22 -0.09 -0.10 0.43 0.00 -0.00 -0.01 -0.02 -0.00 -0.01 0.00 0.00 -0.01 0.02 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.00 -0.02 -0.05 -0.06 -0.01 0.01 0.14 -0.02 -0.00 0.01 -0.00 -0.03 0.01 -0.00 -0.09 -0.07 0.01 -0.10 -0.15 0.02 -0.06 0.13 0.08 0.10 -0.02 -0.02 -0.05 0.10 0.06 0.13 0.01 -0.08 -0.01 -0.02 -0.03 -0.02 -0.01 -0.02 0.04 0.01 -0.01 -0.03 -0.06 0.01 0.04 0.01 0.03 0.01 -0.03 0.03 0.06 -0.04 0.03 0.03 -0.03 -0.02 -0.02 -0.00 -0.01 -0.00 0.00 0.01 -0.03 0.01 0.03 0.01 0.00 0.00 0.22 0.18 -0.16 0.05 -0.05 -0.11 0.16 -0.05 -0.22 0.18 0.05 -0.31 -0.28 -0.01 0.04 -0.03 -0.02 0.07 -0.10 0.22 0.22 0.16 -0.01 -0.23 -0.04 0.21 0.01 0.02 -0.05 -0.08 0.04 0.09 0.21 -0.04 -0.18 -0.18 -0.05 0.16 0.04 0.04 -0.07 -0.02 -0.04 0.03 -0.07 0.01 0.04 0.03 0.01 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.02 0.00 0.02 -0.06 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.10 0.05 0.10 -0.10 0.08 0.18 0.06 0.11 -0.09 0.02 -0.10 -0.09 0.14 0.13 -0.10 -0.05 -0.17 0.01 -0.02 0.02 -0.02 -0.01 -0.01 0.04 -0.00 -0.01 0.04 -0.06 -0.03 0.02 0.09 -0.04 0.02 -0.02 0.05 -0.06 0.00 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.09 0.08 0.12 0.00 0.16 0.11 0.16 0.09 -0.25 0.01 -0.15 -0.10 -0.00 -0.27 -0.15 0.22 -0.06 -0.16 0.25 0.12 -0.16 -0.07 -0.39 -0.15 -0.14 -0.15 0.03 -0.07 -0.09 -0.09 0.01 0.01 0.14 0.05 -0.13 0.02 0.05 -0.06 0.04 -0.03 0.13 0.04 -0.03 -0.01 0.04 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.04 0.00 -0.04 -0.09 -0.10 -0.01 0.04 0.23 -0.02 -0.01 0.02 0.00 -0.05 0.02 -0.00 0.01 0.02 0.01 0.03 0.08 0.04 0.02 -0.04 -0.07 -0.04 0.00 -0.03 0.06 -0.01 -0.04 -0.07 -0.04 0.04 0.03 0.06 0.09 -0.07 -0.08 -0.12 -0.03 -0.06 -0.07 -0.01 0.00 0.11 0.00 0.00 -0.03 0.04 -0.01 0.05 0.13 -0.07 0.03 0.05 -0.07 -0.02 -0.03 -0.01 -0.02 -0.00 -0.00 0.01 -0.06 0.03 0.07 0.01 0.01 0.00 -0.09 -0.06 0.05 -0.02 0.05 0.09 -0.07 -0.05 0.07 -0.10 -0.11 0.15 0.21 0.07 -0.04 0.06 0.04 -0.05 0.10 -0.08 -0.15 -0.08 -0.10 0.05 -0.03 -0.12 0.01 0.11 0.27 0.30 -0.09 -0.32 -0.16 0.08 0.16 0.08 -0.02 0.25 0.04 0.04 -0.26 -0.25 -0.12 0.04 -0.05 0.01 0.08 0.07 0.00 -0.00 0.00 0.03 0.00 0.01 -0.00 -0.00 0.00 -0.04 0.03 -0.07 0.08 0.01 -0.08 0.01 0.02 0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 0.01 -0.01 0.00 0.12 0.11 -0.07 -0.16 -0.12 0.09 0.06 -0.10 0.00 -0.07 0.04 0.01 -0.02 0.10 0.00 0.09 -0.05 -0.04 0.01 -0.03 0.01 0.01 0.00 0.01 -0.02 0.01 0.02 0.03 0.02 -0.02 -0.04 0.01 -0.02 -0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 -0.04 0.00 0.00 -0.00 -0.08 -0.05 0.24 -0.00 0.00 0.00 -0.20 -0.16 0.07 0.13 0.08 -0.13 -0.20 0.10 0.37 -0.13 -0.07 0.19 0.20 -0.03 -0.05 0.11 -0.19 -0.10 0.02 0.22 0.13 0.12 -0.11 -0.25 -0.09 0.28 0.10 -0.05 -0.06 -0.05 -0.00 -0.03 -0.09 -0.01 0.10 0.03 -0.02 -0.04 -0.01 0.02 0.04 0.03 0.00 -0.00 0.03 -0.07 -0.04 0.19 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.06 0.04 -0.11 0.12 0.01 -0.11 0.02 0.03 0.00 -0.01 -0.06 0.01 0.00 0.01 0.00 0.01 -0.02 0.01 -0.10 -0.09 0.05 0.13 0.10 -0.08 -0.06 0.09 0.00 0.06 -0.03 0.01 0.02 -0.09 0.00 -0.07 0.05 0.04 -0.01 0.02 -0.02 0.02 0.00 0.02 0.02 0.01 0.00 -0.01 -0.00 0.00 0.03 -0.03 0.01 -0.02 0.01 -0.02 -0.02 0.02 -0.01 -0.01 0.01 0.02 0.02 0.00 -0.06 0.00 0.01 -0.00 -0.12 -0.08 0.36 -0.00 0.00 0.00 0.16 0.13 -0.06 -0.13 -0.08 0.10 0.19 -0.07 -0.34 0.14 0.08 -0.21 -0.24 0.01 0.07 -0.10 0.17 0.09 -0.03 -0.19 -0.10 -0.10 0.08 0.19 0.09 -0.24 -0.09 0.00 -0.04 -0.06 -0.01 0.01 0.01 0.01 -0.08 0.04 -0.02 -0.05 0.03 -0.04 0.06 0.05 0.01 -0.01 0.04 -0.11 -0.06 0.29 -0.01 -0.01 -0.00 0.02 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 -0.03 -0.01 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.01 0.01 0.02 0.01 0.02 0.03 -0.04 -0.07 -0.07 -0.02 -0.06 -0.08 0.01 0.05 0.05 0.02 0.05 0.04 -0.02 0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.01 -0.04 -0.00 -0.00 -0.00 -0.03 -0.05 0.05 -0.02 -0.03 0.03 0.06 0.07 0.00 0.01 0.03 -0.00 0.01 -0.02 -0.03 -0.00 -0.03 -0.03 -0.03 0.01 0.02 0.16 0.37 0.44 0.15 0.37 0.38 -0.11 -0.24 -0.30 -0.01 -0.03 -0.00 -0.08 -0.21 -0.25 0.02 -0.01 0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.04 0.06 0.12 0.00 -0.05 -0.06 0.09 0.04 -0.11 -0.07 -0.05 0.05 -0.10 -0.05 -0.00 0.03 0.06 -0.09 0.00 0.08 -0.01 -0.01 -0.01 -0.00 -0.02 -0.03 -0.01 -0.05 -0.03 0.04 0.06 -0.01 0.01 0.00 0.02 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.03 0.42 0.03 0.04 0.08 0.09 0.20 -0.12 -0.09 -0.17 -0.00 -0.10 -0.27 -0.01 -0.03 -0.33 -0.02 -0.09 0.20 0.28 0.02 0.28 0.22 0.25 -0.13 -0.19 0.04 0.06 0.12 -0.02 -0.03 0.10 0.03 -0.08 -0.05 0.01 0.00 0.02 0.02 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 -0.00 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 -0.02 -0.03 -0.03 0.02 0.04 0.04 0.02 0.07 0.07 -0.03 -0.06 -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 -0.03 -0.01 -0.01 -0.02 -0.01 -0.01 0.02 -0.01 -0.02 0.00 0.02 0.04 0.01 -0.00 0.02 0.01 -0.00 -0.01 -0.01 0.00 -0.01 -0.02 -0.02 0.01 0.01 0.09 0.18 0.24 -0.08 -0.26 -0.26 -0.16 -0.36 -0.41 -0.00 0.00 -0.00 0.17 0.42 0.45 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.08 -0.05 -0.05 0.01 -0.02 0.05 -0.13 -0.02 0.02 0.01 0.06 -0.01 -0.02 0.04 -0.01 -0.02 0.01 -0.00 -0.02 0.00 0.02 0.00 0.00 -0.00 0.03 0.01 -0.04 0.01 0.01 -0.02 0.01 -0.01 0.01 -0.01 -0.03 0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.05 0.03 0.22 0.09 0.16 0.27 0.05 -0.09 -0.24 0.06 0.46 0.19 0.00 -0.43 -0.17 0.15 -0.25 -0.17 0.14 0.12 0.00 -0.07 -0.05 0.13 0.07 -0.21 -0.09 0.02 0.11 -0.00 -0.02 0.05 -0.05 -0.01 -0.06 0.01 -0.00 0.00 0.01 -0.07 -0.01 0.06 -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 -0.11 0.06 -0.14 -0.10 0.00 0.06 -0.02 -0.05 0.00 0.04 0.05 -0.01 0.07 -0.11 -0.01 0.00 0.36 0.08 0.01 -0.01 -0.01 0.00 0.00 0.01 -0.02 -0.00 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.02 -0.01 -0.03 -0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.07 -0.03 -0.02 -0.02 0.10 0.01 0.03 -0.23 -0.04 0.33 -0.12 0.11 -0.06 -0.07 -0.03 0.02 0.02 0.03 0.02 0.03 0.04 0.00 -0.02 -0.03 0.01 0.08 0.04 0.01 -0.05 -0.03 -0.02 -0.01 0.04 0.00 0.05 0.03 0.01 0.11 0.05 0.03 0.07 0.02 -0.03 0.02 -0.00 -0.03 -0.01 -0.02 0.02 0.01 -0.02 0.10 0.07 0.09 0.01 0.01 0.00 0.12 -0.28 -0.03 0.33 -0.12 0.10 0.10 0.13 0.01 -0.47 0.04 -0.08 0.06 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 -0.01 0.00 -0.00 -0.00 -0.02 -0.01 0.02 -0.01 -0.01 -0.00 0.02 0.02 -0.03 -0.01 -0.01 -0.00 -0.00 -0.00 0.08 -0.02 -0.09 -0.04 -0.10 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.01 0.05 -0.00 0.03 0.06 -0.00 0.02 -0.04 0.03 0.15 0.04 -0.01 -0.07 -0.02 -0.25 0.19 0.37 -0.27 0.25 0.38 0.05 0.41 0.14 0.08 0.43 0.15 -0.00 0.05 -0.01 -0.02 0.02 -0.01 0.01 -0.02 0.00 0.00 -0.00 -0.01 -0.04 -0.01 0.02 -0.02 0.02 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 -0.00 0.01 0.01 0.00 -0.00 0.00 0.02 0.00 0.00 -0.03 0.01 0.01 0.00 0.00 0.00 0.03 0.01 0.02 0.01 -0.01 -0.02 0.00 -0.02 0.01 -0.00 -0.02 -0.01 -0.11 0.02 -0.00 0.01 0.03 0.01 -0.01 0.00 -0.03 0.06 -0.02 0.00 0.01 -0.01 0.02 0.05 -0.06 -0.09 0.00 0.03 0.13 -0.04 -0.01 -0.02 -0.07 0.07 0.01 0.00 -0.00 0.00 -0.02 -0.00 -0.01 -0.00 -0.00 0.01 -0.03 -0.00 -0.02 0.01 -0.01 -0.01 0.00 -0.00 -0.11 -0.15 -0.06 0.00 -0.02 -0.11 -0.13 0.28 0.14 0.13 0.52 0.04 -0.10 0.32 0.18 0.05 0.04 -0.06 0.06 -0.12 -0.15 0.02 -0.01 -0.05 -0.04 0.08 0.04 -0.10 0.26 -0.11 -0.23 0.15 -0.07 0.18 0.01 -0.09 -0.03 -0.04 -0.03 -0.18 -0.07 0.13 -0.00 -0.03 -0.00 -0.02 0.01 -0.01 -0.02 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 0.08 -0.04 0.10 0.08 0.00 -0.05 0.00 0.07 -0.00 -0.05 -0.06 0.00 0.09 0.04 0.03 0.02 0.27 0.06 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.03 0.00 0.03 -0.03 -0.05 0.00 0.04 0.02 -0.00 -0.01 0.01 -0.03 0.01 0.02 0.03 -0.00 -0.01 0.04 0.00 -0.03 -0.04 0.01 0.01 0.00 0.00 -0.00 0.02 0.03 -0.00 -0.00 -0.14 -0.02 -0.07 -0.02 -0.01 0.14 -0.25 -0.03 -0.29 0.08 -0.08 -0.10 0.03 -0.01 -0.01 -0.00 0.02 -0.04 -0.03 0.02 0.02 -0.02 -0.03 -0.03 -0.17 -0.05 -0.01 -0.12 -0.04 -0.11 0.07 0.15 -0.15 0.13 0.22 -0.03 -0.16 -0.06 -0.02 -0.09 -0.02 0.07 -0.05 0.02 0.09 -0.02 0.03 -0.07 -0.04 0.06 -0.12 -0.08 -0.07 -0.00 0.00 -0.01 0.26 -0.31 -0.02 -0.29 0.08 -0.08 -0.21 -0.08 -0.04 0.05 -0.01 0.01 -0.20 -0.08 -0.07 0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.02 -0.02 0.00 0.02 -0.02 -0.02 -0.01 -0.01 0.04 0.08 0.05 -0.02 0.03 0.08 -0.02 -0.09 -0.03 -0.01 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.00 0.01 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 -0.00 -0.00 0.01 -0.01 -0.00 -0.02 0.01 -0.01 -0.00 0.00 -0.00 -0.16 -0.18 0.01 0.08 0.05 -0.13 -0.00 0.03 -0.05 -0.01 -0.36 -0.21 -0.16 -0.32 -0.04 0.13 0.02 -0.16 0.18 -0.26 -0.35 0.06 0.40 0.13 0.04 0.34 0.11 0.02 0.01 0.01 -0.03 0.01 -0.00 0.03 -0.00 -0.01 -0.01 -0.01 -0.00 -0.02 -0.01 0.01 0.02 -0.02 -0.00 -0.02 0.01 -0.01 -0.02 -0.01 -0.00 0.02 -0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 0.00 0.02 0.00 -0.02 0.01 0.03 0.02 0.00 0.00 0.02 0.03 0.01 -0.04 -0.09 -0.06 -0.04 0.03 0.05 -0.02 -0.07 -0.05 0.01 -0.03 0.01 -0.01 -0.01 0.01 -0.00 -0.02 0.03 0.05 -0.00 -0.02 -0.07 0.02 0.01 0.01 0.03 -0.03 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.02 -0.00 -0.03 0.01 -0.00 -0.01 0.01 -0.00 0.17 0.21 0.04 0.05 0.06 0.07 0.06 -0.08 -0.04 0.01 0.35 0.21 0.18 0.40 0.06 0.16 -0.16 -0.21 0.14 -0.08 -0.17 0.04 0.41 0.20 0.12 0.23 0.02 0.04 -0.10 0.03 0.13 -0.08 0.04 -0.10 -0.03 0.08 0.00 0.00 -0.01 0.08 0.03 -0.06 0.03 -0.03 0.00 -0.03 0.00 -0.00 -0.03 -0.01 -0.00 0.02 -0.00 0.00 -0.02 -0.01 -0.01 -0.02 0.01 -0.02 -0.02 0.00 0.01 -0.00 -0.02 -0.00 0.01 0.02 -0.00 -0.02 0.05 0.01 -0.01 -0.06 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.01 -0.01 0.03 -0.00 -0.01 -0.02 -0.01 0.02 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 0.00 -0.05 0.02 -0.01 -0.03 0.04 0.00 0.04 -0.08 -0.01 0.06 -0.03 0.01 -0.00 0.13 0.03 -0.01 -0.02 -0.01 0.00 0.00 0.00 -0.01 0.00 0.01 0.01 0.05 0.01 -0.02 -0.01 0.01 -0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.01 -0.02 0.00 -0.01 -0.02 0.02 -0.03 -0.00 0.00 0.02 0.02 -0.02 0.02 0.02 0.01 0.04 0.01 -0.02 0.37 -0.19 0.03 0.09 -0.02 0.02 -0.33 -0.26 -0.04 0.63 -0.05 0.12 -0.27 -0.24 -0.18 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.02 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.04 -0.01 -0.03 -0.03 0.00 -0.01 -0.06 0.01 -0.04 0.03 -0.05 0.06 0.02 -0.00 0.00 0.00 0.01 0.02 -0.00 0.07 -0.02 0.01 -0.01 -0.00 0.01 -0.05 0.04 0.05 -0.04 0.02 -0.06 -0.01 0.03 0.01 0.08 -0.07 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.24 -0.27 0.04 0.03 0.01 -0.11 -0.14 0.35 0.02 0.17 0.38 -0.09 -0.27 -0.06 0.11 -0.04 0.11 0.07 -0.00 -0.06 -0.05 -0.01 -0.10 -0.06 -0.06 -0.01 0.03 0.17 -0.23 0.16 0.22 -0.21 0.15 -0.14 -0.15 0.19 -0.01 0.02 -0.01 0.16 0.06 -0.13 -0.01 0.01 0.00 -0.00 0.00 -0.01 0.03 0.02 0.00 -0.05 0.00 -0.01 0.02 0.02 0.02 -0.02 0.01 -0.02 -0.02 0.00 0.01 -0.01 0.03 -0.00 -0.00 -0.03 -0.01 -0.00 0.02 0.00 -0.05 -0.02 -0.01 -0.02 0.05 0.04 -0.02 0.00 -0.01 0.01 -0.00 -0.05 0.03 -0.02 -0.01 -0.01 -0.01 0.00 0.01 0.01 -0.01 -0.08 -0.05 0.10 -0.14 -0.01 0.05 0.12 0.07 -0.11 0.14 0.04 -0.09 -0.06 -0.01 0.03 -0.03 -0.04 0.05 0.08 -0.00 0.00 0.06 -0.04 0.01 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 0.07 -0.00 0.02 -0.00 0.04 0.01 -0.15 -0.03 0.15 0.03 0.01 -0.12 -0.01 0.23 -0.06 0.04 -0.15 -0.16 0.01 0.07 0.02 -0.03 0.02 0.04 -0.00 -0.04 -0.03 0.01 0.01 -0.02 -0.01 -0.06 -0.03 0.05 0.21 -0.14 0.29 -0.10 0.02 -0.20 -0.27 0.31 0.04 -0.03 0.01 -0.40 -0.02 0.15 -0.20 0.04 -0.02 0.15 0.04 0.05 -0.09 -0.07 -0.01 0.16 -0.01 0.03 -0.07 -0.06 -0.05 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.04 0.04 -0.03 -0.04 -0.03 0.03 -0.03 0.03 0.05 0.00 -0.03 -0.02 0.02 -0.02 -0.01 -0.01 0.03 -0.01 0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.01 0.00 0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.32 -0.23 0.21 0.38 0.28 -0.23 0.23 -0.29 -0.29 -0.02 -0.12 -0.03 0.08 0.30 0.08 -0.12 0.12 0.18 0.03 -0.08 -0.09 -0.00 0.13 0.09 -0.01 -0.24 -0.10 -0.01 -0.01 -0.00 -0.04 0.03 -0.02 0.02 0.03 -0.04 0.01 0.01 0.02 0.01 -0.00 0.00 0.02 -0.01 0.00 -0.01 -0.00 -0.00 0.01 0.01 0.00 -0.01 0.00 -0.00 0.01 0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 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 0.03 -0.04 -0.03 0.03 0.03 -0.02 -0.03 -0.00 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 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.33 0.26 -0.18 0.40 0.30 -0.23 -0.19 0.19 0.26 0.01 0.12 0.05 -0.01 -0.23 -0.08 -0.15 0.13 0.21 0.10 -0.10 -0.15 0.02 0.21 0.10 -0.03 -0.27 -0.10 -0.01 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.01 0.02 0.02 -0.00 -0.01 -0.00 -0.09 0.00 0.10 0.08 -0.01 -0.04 -0.04 -0.00 0.08 0.02 0.02 -0.01 0.03 0.03 -0.00 0.01 -0.01 -0.00 -0.01 -0.03 0.03 -0.01 -0.01 -0.00 -0.01 0.00 0.00 0.00 -0.01 -0.02 -0.03 0.05 0.04 -0.05 0.02 -0.00 0.03 -0.03 0.06 0.01 -0.03 -0.00 -0.01 0.01 -0.04 0.01 0.00 -0.10 -0.01 0.00 -0.13 0.08 -0.01 0.04 0.02 0.01 -0.05 0.02 -0.01 -0.08 -0.01 -0.02 0.04 -0.02 -0.03 -0.04 0.03 0.08 -0.02 -0.02 -0.04 -0.06 0.14 0.02 0.04 -0.04 -0.09 0.01 -0.00 -0.01 0.00 -0.00 -0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 -0.13 0.21 -0.10 0.07 -0.01 -0.04 -0.06 -0.12 0.13 0.34 0.09 0.01 -0.32 0.03 0.08 0.58 -0.16 0.08 -0.21 -0.08 -0.06 0.20 0.03 0.07 -0.10 -0.01 0.05 -0.04 0.06 0.06 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.08 0.01 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -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 -0.01 -0.00 0.00 -0.02 0.01 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.00 -0.01 -0.00 -0.00 -0.03 -0.03 0.14 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.02 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.04 0.01 0.00 -0.04 0.00 0.01 0.06 -0.01 -0.02 -0.03 -0.01 -0.01 -0.55 0.14 -0.28 0.04 0.07 -0.34 0.65 -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 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.04 -0.05 -0.02 -0.01 0.01 -0.01 0.05 0.03 0.03 -0.08 0.02 0.01 -0.02 0.01 -0.02 0.03 -0.02 0.03 -0.01 0.04 -0.04 0.01 0.00 -0.00 -0.03 0.05 -0.03 -0.00 -0.00 0.01 0.00 -0.05 0.05 0.03 0.00 -0.01 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.09 -0.09 -0.19 -0.06 -0.02 0.05 0.15 -0.07 -0.10 -0.14 -0.06 0.17 0.02 -0.01 -0.01 -0.09 -0.01 0.11 0.12 0.00 -0.09 0.08 0.08 -0.08 -0.11 -0.06 0.04 -0.22 0.27 -0.16 -0.05 0.04 -0.03 -0.21 -0.45 0.47 -0.00 0.00 0.01 0.33 -0.02 -0.10 0.05 -0.01 0.01 0.01 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.02 0.01 -0.01 0.00 0.01 0.01 -0.01 0.00 0.00 -0.08 0.04 -0.07 0.07 -0.04 0.08 0.00 0.01 -0.01 -0.00 -0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 0.01 0.01 0.01 -0.02 -0.03 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.02 -0.04 -0.00 -0.20 -0.16 0.13 0.03 -0.01 -0.04 -0.02 0.00 0.03 -0.01 0.01 0.01 -0.25 -0.13 0.27 0.35 0.11 -0.19 0.21 0.32 -0.14 -0.30 -0.25 0.08 0.09 -0.11 0.06 0.12 -0.14 0.09 0.09 0.17 -0.18 0.00 -0.00 0.00 -0.30 0.02 0.08 0.04 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.04 0.07 0.03 0.02 0.01 -0.00 -0.06 -0.04 -0.03 0.09 -0.02 -0.02 -0.04 0.02 -0.04 0.03 -0.02 0.02 -0.00 -0.06 0.06 0.00 0.00 -0.00 0.01 -0.02 0.01 -0.03 0.04 -0.03 -0.02 0.01 -0.00 0.05 -0.02 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.13 0.08 0.26 -0.11 -0.11 0.03 -0.17 0.06 0.11 0.16 0.02 -0.22 -0.00 0.02 0.01 -0.09 -0.10 0.08 0.13 0.07 -0.05 0.08 0.16 -0.04 -0.10 -0.13 0.01 -0.05 0.05 -0.01 -0.31 0.35 -0.23 -0.07 -0.07 0.09 0.01 -0.01 -0.02 0.55 -0.05 -0.14 -0.04 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 -0.00 0.01 -0.01 0.06 -0.00 -0.02 -0.04 0.00 -0.14 -0.01 -0.03 -0.02 0.06 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 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.02 0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.01 0.00 0.05 0.00 0.01 -0.00 -0.16 -0.03 -0.02 -0.14 -0.03 -0.00 0.12 0.02 0.05 0.07 0.03 0.09 -0.01 0.02 -0.01 0.01 0.02 0.01 0.01 -0.00 -0.02 -0.00 0.01 0.02 0.01 -0.02 -0.00 0.00 0.00 0.02 0.00 -0.02 -0.02 -0.00 0.02 -0.02 -0.02 0.01 0.02 0.01 -0.01 0.05 -0.06 0.03 -0.04 0.04 -0.02 0.02 0.04 -0.04 -0.11 -0.04 -0.01 0.09 -0.01 -0.02 0.84 -0.12 0.14 0.21 0.17 0.08 0.08 0.05 0.00 0.00 0.02 -0.00 0.10 0.03 0.04 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 0.01 0.00 0.00 0.08 -0.05 0.07 -0.13 0.14 -0.02 -0.02 0.03 -0.02 -0.06 0.01 -0.03 -0.02 -0.10 0.04 0.11 -0.01 -0.04 -0.01 -0.04 0.07 -0.03 0.01 0.01 0.04 -0.03 0.01 -0.01 0.03 -0.02 -0.02 0.03 -0.02 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 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.14 -0.02 0.01 -0.12 0.19 0.02 0.18 0.22 -0.35 -0.08 0.11 0.17 0.05 -0.12 -0.09 -0.14 0.04 0.16 -0.10 -0.33 -0.17 0.15 -0.15 -0.32 0.07 0.20 0.03 0.12 -0.13 0.07 -0.12 0.16 -0.11 0.05 0.15 -0.15 0.08 -0.00 0.02 0.15 -0.02 -0.04 0.02 -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 0.00 0.00 0.01 -0.00 -0.03 0.01 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.05 0.06 0.00 -0.01 0.11 0.09 -0.04 -0.05 0.01 0.07 -0.00 -0.02 -0.05 -0.11 0.01 0.09 -0.01 -0.08 0.02 0.03 -0.06 0.06 -0.02 -0.01 -0.04 0.02 -0.00 0.01 -0.03 0.02 0.01 -0.02 0.02 -0.01 0.02 -0.01 -0.01 0.00 -0.00 0.01 -0.02 -0.00 -0.01 -0.01 -0.00 0.02 0.01 0.01 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.12 -0.03 -0.07 0.01 0.28 0.40 -0.19 -0.37 0.28 0.12 0.05 -0.14 0.03 -0.01 -0.02 -0.10 -0.18 0.09 -0.11 -0.18 -0.03 0.14 0.02 -0.18 0.18 0.03 -0.09 -0.15 0.15 -0.07 0.12 -0.15 0.10 -0.03 -0.11 0.11 -0.12 0.01 -0.03 -0.18 0.03 0.04 -0.04 0.03 -0.00 0.04 0.03 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 0.06 -0.03 0.00 -0.02 -0.02 -0.01 0.02 0.01 0.01 -0.07 0.00 -0.11 0.07 -0.01 0.11 0.04 0.03 0.00 -0.02 0.00 0.04 -0.03 -0.03 -0.01 0.01 0.00 -0.04 -0.04 0.01 0.00 -0.12 0.04 0.01 0.05 -0.00 -0.01 -0.02 0.03 -0.02 -0.00 0.00 -0.00 0.03 -0.03 0.02 0.04 -0.01 0.00 -0.02 0.05 0.01 0.02 0.03 0.01 -0.05 -0.02 -0.01 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.15 -0.23 -0.46 0.14 0.22 0.47 0.01 0.19 0.02 -0.04 -0.09 -0.01 -0.11 0.10 0.08 0.01 -0.16 -0.02 -0.03 0.04 0.07 0.02 0.08 0.05 0.10 -0.09 -0.09 0.23 -0.23 0.10 -0.04 0.04 -0.03 0.02 0.04 -0.04 0.14 -0.03 0.02 0.20 -0.04 -0.03 0.07 -0.06 0.00 -0.10 -0.06 -0.03 0.01 -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 -0.01 0.01 0.00 0.03 -0.06 0.01 -0.07 -0.05 -0.02 0.04 0.02 0.01 0.03 0.01 0.07 -0.04 0.02 -0.05 -0.02 -0.05 0.03 0.04 0.00 -0.03 0.01 0.00 0.01 0.00 -0.00 0.01 -0.01 0.06 -0.07 -0.13 0.09 -0.04 0.01 0.02 -0.02 -0.05 0.00 0.02 0.01 -0.02 0.02 0.03 -0.03 0.02 0.15 -0.02 -0.00 -0.02 0.12 0.02 0.06 0.05 0.02 -0.11 -0.05 -0.03 -0.02 -0.02 -0.01 0.04 0.00 0.01 0.08 0.17 0.30 -0.08 -0.09 -0.23 -0.09 -0.46 0.18 0.06 0.08 -0.01 0.09 -0.06 -0.06 -0.01 0.06 0.02 -0.00 -0.04 -0.04 0.00 -0.04 -0.04 -0.03 0.05 0.03 0.10 -0.08 0.02 0.21 -0.30 0.20 -0.00 -0.05 0.05 -0.21 -0.06 0.00 0.16 -0.05 -0.01 0.12 -0.13 -0.00 -0.23 -0.14 -0.08 0.02 -0.02 0.00 0.05 0.00 0.01 0.02 -0.02 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.10 0.01 -0.00 0.05 0.03 0.02 -0.02 -0.01 -0.01 0.02 -0.00 0.03 -0.02 0.01 -0.02 -0.01 -0.02 0.02 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.04 0.07 -0.09 -0.15 -0.02 0.08 -0.03 0.07 -0.05 -0.06 0.07 -0.04 -0.00 -0.06 0.05 0.08 -0.02 -0.01 -0.14 0.01 -0.00 0.01 -0.08 -0.01 -0.05 -0.03 -0.02 0.07 0.04 0.02 -0.00 0.01 0.00 -0.03 0.00 -0.01 0.04 0.05 0.10 -0.03 -0.04 -0.11 -0.08 -0.34 0.17 0.03 0.09 0.03 0.01 -0.05 -0.03 -0.01 0.02 0.01 -0.00 -0.02 -0.01 0.00 -0.02 -0.02 -0.01 0.02 0.01 0.25 -0.27 0.13 -0.00 -0.01 0.00 0.04 0.01 -0.03 0.68 0.01 0.03 0.02 -0.02 0.01 -0.05 0.08 0.01 0.14 0.09 0.08 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.01 0.01 0.01 -0.00 0.01 -0.00 0.06 -0.03 0.01 0.12 0.20 0.07 -0.01 -0.12 -0.03 -0.02 -0.01 -0.05 -0.02 -0.01 -0.04 0.02 -0.02 0.02 0.00 -0.00 0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.05 0.00 0.01 -0.03 0.10 -0.07 0.04 -0.03 0.01 -0.00 -0.02 0.02 0.02 0.02 -0.02 -0.04 -0.02 0.03 0.02 -0.02 0.00 -0.13 -0.04 -0.03 -0.04 0.05 0.00 0.03 -0.03 0.00 -0.00 -0.03 -0.01 -0.06 -0.10 -0.03 0.03 0.19 0.29 0.03 0.17 0.25 0.00 0.06 0.03 -0.01 -0.10 -0.02 -0.02 0.08 0.04 -0.01 0.08 0.02 0.04 -0.02 -0.03 -0.00 -0.06 -0.01 -0.05 0.05 0.04 -0.04 0.07 -0.04 0.15 -0.20 0.13 -0.00 -0.02 0.02 -0.06 -0.03 0.01 0.19 -0.04 -0.04 0.34 -0.11 0.04 0.24 0.10 0.04 0.13 0.26 -0.03 -0.27 -0.03 -0.05 0.08 0.23 0.18 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.03 -0.06 -0.02 0.00 0.03 0.01 -0.03 -0.03 -0.10 -0.04 -0.02 -0.09 0.03 0.02 -0.00 0.00 -0.01 0.04 0.03 -0.00 0.02 0.01 -0.01 0.03 0.07 -0.02 -0.01 -0.01 -0.01 0.01 -0.02 0.01 -0.00 -0.02 0.02 -0.01 -0.02 -0.02 0.02 0.02 -0.00 -0.00 -0.02 0.00 -0.00 0.04 0.01 0.01 0.01 -0.02 -0.00 -0.01 0.01 0.00 0.00 0.01 0.00 0.01 0.03 0.01 0.03 0.29 0.50 0.06 0.34 0.50 -0.02 0.16 0.06 -0.02 -0.12 0.00 -0.13 0.10 0.10 -0.02 0.16 0.04 0.09 -0.04 -0.06 -0.01 -0.12 -0.00 -0.10 0.10 0.09 -0.11 0.11 -0.06 0.07 -0.08 0.05 0.02 0.05 -0.06 0.03 0.00 0.00 0.00 -0.00 0.00 -0.10 0.04 -0.01 -0.05 -0.02 -0.02 -0.04 -0.08 0.01 0.08 0.01 0.02 -0.02 -0.07 -0.05 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.03 -0.02 0.01 0.01 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.02 0.02 0.00 0.03 -0.04 0.05 -0.04 -0.00 -0.01 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.01 0.16 -0.07 0.02 -0.05 0.04 -0.02 -0.02 -0.01 0.01 -0.05 0.05 -0.03 -0.06 -0.02 0.04 0.01 -0.02 0.01 -0.02 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.07 -0.18 -0.22 -0.01 -0.11 -0.14 -0.01 0.13 -0.11 0.03 0.07 -0.04 -0.02 -0.09 -0.01 0.01 -0.06 -0.02 -0.03 0.02 0.03 0.00 0.04 0.01 0.03 -0.04 -0.03 -0.38 0.43 -0.21 0.29 -0.34 0.21 0.07 0.22 -0.22 0.05 -0.02 0.02 0.19 -0.03 -0.04 0.01 0.00 0.00 0.01 0.01 0.02 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.02 -0.01 0.00 0.12 -0.03 0.01 -0.02 -0.13 -0.03 0.02 0.07 0.02 -0.01 0.01 0.01 0.00 0.01 0.01 0.00 -0.05 0.04 0.01 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.15 0.03 0.02 0.02 0.21 -0.16 0.09 -0.09 0.05 0.04 -0.09 0.06 0.06 0.07 -0.09 -0.15 -0.02 0.07 -0.19 0.01 -0.01 0.07 -0.04 0.00 -0.05 -0.06 -0.02 0.04 0.07 0.02 -0.01 0.02 -0.00 0.01 0.07 0.02 0.02 0.04 0.01 -0.00 -0.03 -0.05 0.03 -0.01 -0.01 0.00 -0.05 -0.05 0.10 0.04 -0.03 0.00 -0.02 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.00 0.02 -0.01 -0.01 -0.09 0.13 -0.07 0.19 -0.26 0.18 -0.02 -0.08 0.09 0.35 -0.02 0.05 0.36 -0.06 -0.09 -0.27 0.17 -0.02 0.07 0.05 0.13 -0.10 -0.19 0.03 0.16 0.02 0.03 -0.05 -0.16 -0.14 -0.02 0.02 -0.00 0.02 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 0.02 -0.00 -0.00 -0.00 0.02 0.02 -0.08 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 -0.01 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 -0.01 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.19 -0.26 0.94 0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.01 0.00 0.03 0.01 0.00 0.02 0.01 -0.00 -0.01 0.00 -0.01 -0.00 -0.00 -0.01 -0.06 -0.02 0.17 -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 0.01 -0.00 0.00 -0.00 -0.02 0.01 -0.01 0.01 -0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.02 0.00 -0.01 0.05 0.00 0.00 -0.02 0.04 0.00 -0.13 0.03 -0.02 -0.02 0.02 0.00 -0.10 -0.11 -0.05 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 0.01 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 0.01 -0.02 0.01 -0.01 0.02 -0.01 -0.00 0.00 -0.00 -0.12 -0.00 -0.01 -0.03 0.00 0.01 -0.08 0.04 -0.01 0.82 0.37 0.28 -0.02 -0.05 0.00 -0.02 0.01 -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 -0.04 0.03 -0.01 0.01 0.01 0.04 -0.03 -0.17 0.12 0.00 0.01 -0.04 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.03 0.06 -0.03 0.03 -0.00 -0.01 -0.04 0.05 -0.03 -0.05 0.02 -0.00 0.01 -0.04 0.03 0.04 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.18 0.04 -0.01 -0.05 -0.07 0.22 0.67 -0.38 0.03 -0.09 -0.22 0.31 0.13 -0.06 0.00 -0.05 -0.00 -0.03 -0.00 0.01 0.01 0.03 -0.02 0.04 -0.03 -0.03 0.09 -0.09 0.06 0.09 -0.13 0.10 0.01 -0.04 0.03 -0.06 0.01 0.02 -0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 -0.01 -0.01 0.04 -0.00 0.02 -0.01 -0.00 -0.01 -0.07 -0.02 0.14 -0.04 0.02 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 0.01 -0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.05 -0.02 0.01 -0.14 -0.18 -0.06 -0.16 0.21 0.01 0.11 0.12 0.05 0.07 0.01 0.02 0.04 0.02 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.03 0.01 -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 -0.01 0.00 -0.00 0.00 0.00 0.03 -0.03 0.01 0.00 -0.01 0.00 -0.00 -0.01 0.01 -0.19 -0.01 0.01 -0.01 -0.00 0.01 -0.14 0.22 0.02 -0.60 -0.35 -0.20 -0.16 -0.15 -0.06 -0.25 0.09 -0.04 -0.16 -0.15 -0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.06 0.11 -0.02 -0.06 -0.11 -0.02 -0.01 0.00 -0.02 0.00 0.00 0.00 -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 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.04 -0.21 -0.36 0.06 0.24 0.38 0.02 -0.06 -0.05 0.09 0.12 -0.32 0.38 -0.09 -0.10 -0.00 0.32 -0.09 0.24 0.13 0.06 -0.05 -0.09 0.18 -0.22 0.08 0.08 0.01 -0.01 0.00 0.00 0.00 -0.00 0.01 0.01 -0.01 0.01 0.00 0.00 0.01 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 -0.01 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 0.10 -0.07 0.01 -0.02 0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.02 -0.00 -0.00 0.02 -0.01 0.00 -0.06 -0.03 -0.02 0.01 0.01 0.00 -0.04 0.07 0.01 -0.00 0.00 -0.00 -0.15 0.04 -0.02 -0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.03 -0.03 0.02 -0.00 -0.01 0.00 -0.01 -0.02 0.02 -0.16 -0.00 0.00 -0.03 -0.00 0.01 0.09 0.05 0.03 -0.01 -0.01 0.00 0.41 -0.16 0.40 0.42 -0.12 0.05 0.54 -0.05 -0.25 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.04 -0.05 0.01 -0.04 -0.01 0.04 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.03 0.01 -0.00 -0.04 -0.00 0.00 0.00 -0.01 -0.01 0.03 -0.03 0.01 0.01 0.02 0.42 -0.24 0.40 0.25 0.15 0.11 0.14 -0.48 0.49 -0.06 -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 0.01 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 -0.02 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 0.01 0.01 -0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.30 -0.39 -0.08 -0.13 -0.13 0.67 0.30 0.37 0.18 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.00 -0.00 -0.11 0.01 -0.02 0.06 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 -0.02 0.00 -0.01 0.01 0.02 -0.01 0.00 0.02 -0.01 -0.00 -0.00 -0.01 0.01 -0.03 0.01 -0.00 -0.01 0.02 -0.00 0.07 -0.05 0.01 -0.05 0.09 0.01 0.02 -0.04 -0.00 0.01 -0.02 -0.00 -0.04 -0.05 -0.02 0.01 0.02 0.02 -0.00 -0.00 -0.01 0.01 0.01 0.00 0.01 -0.00 -0.04 0.04 0.00 -0.00 0.00 -0.01 0.01 -0.01 -0.01 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.00 -0.05 0.07 -0.04 -0.00 0.03 -0.02 0.04 0.06 -0.07 0.16 0.00 -0.00 0.08 0.01 -0.04 -0.07 -0.03 -0.02 -0.10 -0.08 -0.04 0.23 0.44 -0.01 0.58 -0.20 0.07 0.18 0.39 0.25 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 -0.00 -0.06 0.02 -0.01 0.03 -0.01 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.00 -0.01 0.02 -0.04 0.02 0.02 0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.11 0.07 -0.03 0.07 -0.09 0.06 0.08 0.01 -0.04 0.04 0.05 -0.06 -0.00 -0.12 0.10 -0.14 0.05 0.01 0.05 0.03 0.01 -0.03 0.00 -0.00 0.01 -0.00 0.00 -0.01 0.02 0.00 -0.00 0.00 -0.00 -0.00 0.02 0.00 0.01 0.01 -0.02 0.00 0.01 0.02 0.02 -0.05 0.03 -0.05 -0.08 0.19 -0.15 0.05 0.01 -0.00 0.03 -0.01 0.03 0.02 0.01 -0.01 -0.01 0.04 -0.04 0.01 0.01 0.00 0.13 -0.10 0.18 -0.09 0.02 0.25 0.33 -0.38 0.13 0.02 -0.03 0.54 0.01 -0.20 0.03 0.01 0.01 0.01 0.01 0.00 -0.00 -0.15 0.06 -0.13 0.05 -0.02 0.03 -0.12 -0.10 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 0.01 0.00 0.00 0.00 0.05 0.05 -0.00 -0.00 -0.01 -0.03 -0.05 0.01 0.08 0.01 -0.08 -0.02 -0.03 0.00 0.03 -0.00 -0.03 0.01 -0.01 0.02 0.02 0.02 -0.02 -0.03 0.02 -0.01 -0.03 0.01 0.00 0.01 0.01 -0.01 0.03 -0.02 0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.03 -0.06 -0.14 0.01 0.04 0.05 0.01 0.09 -0.08 -0.12 -0.14 0.57 -0.56 0.07 0.04 -0.00 0.18 -0.09 0.16 0.10 0.07 -0.04 -0.05 0.22 -0.22 0.04 0.03 0.04 -0.05 0.05 0.03 -0.06 0.04 -0.04 -0.07 0.08 -0.05 -0.00 0.01 -0.06 -0.01 0.03 -0.02 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.07 -0.02 0.07 -0.03 0.01 -0.01 0.06 0.05 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.05 -0.01 -0.00 -0.06 0.04 -0.00 -0.03 -0.02 -0.01 -0.01 -0.01 -0.02 0.00 0.03 0.04 -0.01 -0.03 0.03 0.01 -0.00 -0.01 -0.02 -0.04 0.00 0.03 0.00 -0.03 0.05 0.05 -0.06 -0.07 0.02 0.01 0.03 -0.07 0.05 0.05 -0.06 0.04 -0.02 0.03 -0.02 0.00 0.02 -0.02 0.02 0.01 0.01 0.06 -0.08 -0.01 0.08 0.14 0.05 -0.03 -0.02 -0.01 -0.04 -0.06 -0.02 0.02 0.02 0.01 0.02 0.05 0.06 -0.02 -0.04 -0.08 0.02 0.09 -0.04 -0.00 -0.02 0.02 -0.02 0.02 0.01 -0.01 0.13 -0.09 0.13 0.08 0.07 -0.03 -0.04 0.18 -0.17 0.02 0.01 -0.19 0.19 -0.09 -0.16 0.19 -0.10 -0.04 0.02 -0.00 0.39 -0.01 0.00 -0.14 0.03 0.02 0.09 -0.07 0.00 0.11 0.01 0.02 0.14 -0.31 0.20 -0.29 0.09 -0.04 0.22 -0.23 -0.23 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 0.00 -0.00 0.02 -0.01 0.00 0.01 0.01 0.00 0.00 -0.06 -0.07 0.00 0.09 0.11 0.02 0.04 -0.01 -0.04 -0.00 0.04 -0.06 -0.09 0.00 0.07 0.00 -0.08 -0.02 -0.01 0.01 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.03 0.00 -0.03 -0.05 -0.02 0.01 0.01 0.00 0.01 0.02 0.01 -0.01 -0.00 -0.00 0.03 0.09 0.19 -0.06 -0.14 -0.26 -0.01 -0.04 0.06 0.03 0.05 -0.18 0.16 -0.02 0.01 -0.01 0.31 -0.22 0.32 0.21 0.17 -0.06 -0.09 0.43 -0.40 0.04 0.01 0.03 -0.03 0.00 0.02 -0.01 0.00 0.02 0.02 -0.03 -0.11 0.00 -0.00 0.04 -0.00 -0.01 -0.02 0.02 0.00 -0.04 -0.00 -0.01 -0.05 0.09 -0.06 0.08 -0.03 0.01 -0.08 0.07 0.07 -0.00 0.01 0.00 -0.00 0.01 0.00 0.01 0.07 -0.00 0.05 0.02 0.00 -0.10 0.01 -0.02 -0.08 0.00 -0.02 0.01 -0.02 -0.01 0.00 0.01 0.01 0.02 0.06 -0.05 -0.03 -0.00 0.03 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.06 -0.10 0.10 0.13 -0.02 -0.03 -0.07 0.11 -0.07 -0.08 0.09 -0.05 0.05 -0.03 0.01 -0.02 -0.03 0.04 -0.11 -0.06 -0.00 0.07 -0.13 -0.01 0.20 0.19 0.08 0.02 -0.02 -0.00 -0.08 -0.10 -0.04 0.03 0.00 0.01 -0.01 -0.03 0.02 -0.01 -0.02 -0.03 -0.04 -0.11 0.07 0.01 0.05 -0.09 0.07 -0.04 -0.00 -0.00 0.02 -0.01 0.02 0.01 0.01 -0.00 0.00 0.02 -0.02 0.00 -0.00 0.30 -0.34 0.17 0.27 -0.31 0.17 0.03 -0.10 0.07 -0.29 0.02 0.01 0.21 -0.06 -0.02 -0.02 -0.02 -0.01 0.28 0.08 0.08 0.05 -0.06 0.04 -0.05 0.03 -0.00 0.06 -0.04 -0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 -0.12 0.13 0.00 0.08 -0.02 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.01 0.02 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.03 0.03 0.04 -0.00 -0.01 -0.03 0.03 -0.02 -0.03 0.03 -0.02 0.02 0.00 -0.01 -0.00 -0.02 0.02 -0.03 0.03 -0.01 0.06 0.07 0.03 -0.13 -0.07 -0.04 0.06 -0.10 -0.01 0.05 0.05 0.02 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 -0.03 0.02 0.01 0.02 -0.03 0.02 -0.01 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.09 -0.11 0.06 0.09 -0.11 0.07 -0.01 -0.05 0.05 -0.00 -0.00 -0.01 0.05 -0.02 0.00 -0.08 -0.08 -0.03 -0.17 -0.07 -0.05 0.35 -0.34 0.34 -0.29 0.07 -0.05 0.47 -0.22 -0.28 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.06 -0.00 -0.17 -0.02 0.00 0.07 -0.03 0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.02 -0.01 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.03 -0.04 0.02 0.08 0.00 -0.00 -0.06 0.00 0.02 -0.06 0.07 -0.04 0.07 0.08 -0.09 -0.03 -0.06 0.06 0.11 0.10 0.01 0.02 -0.02 0.00 -0.03 0.02 -0.00 -0.08 0.04 -0.01 0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 0.01 0.02 -0.00 -0.01 -0.01 -0.02 0.01 0.03 0.02 0.03 -0.05 0.04 -0.01 0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.06 -0.15 0.11 0.20 -0.22 0.14 -0.08 -0.21 0.22 0.75 -0.04 -0.03 0.09 -0.07 0.04 0.14 -0.02 0.02 -0.06 -0.03 -0.03 -0.08 0.03 -0.06 0.01 -0.00 0.00 -0.10 0.01 0.03 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.02 0.00 0.06 0.01 -0.00 0.16 0.01 0.04 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 -0.01 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.03 -0.03 0.02 -0.02 0.01 -0.01 -0.04 0.04 -0.00 0.02 -0.02 -0.13 -0.00 -0.01 0.33 -0.06 0.05 -0.19 0.09 -0.02 -0.32 0.01 -0.06 0.04 -0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.02 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.02 -0.00 -0.04 0.04 -0.03 0.04 0.06 -0.07 -0.35 0.02 0.02 0.01 0.02 -0.03 0.54 -0.27 0.06 -0.22 -0.15 -0.08 -0.15 -0.04 -0.08 -0.17 0.04 -0.03 -0.17 -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.09 0.00 -0.05 -0.04 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 0.03 0.01 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.26 0.00 0.08 0.17 0.10 -0.13 0.17 -0.06 -0.01 -0.19 0.03 0.04 -0.19 -0.07 0.14 0.35 -0.01 -0.12 0.02 0.15 0.00 0.01 -0.04 -0.00 0.01 0.02 0.01 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.02 -0.13 0.09 -0.01 -0.02 -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 -0.05 0.22 -0.17 -0.06 -0.14 0.16 -0.06 0.21 -0.17 0.27 -0.05 -0.03 -0.47 0.06 0.13 0.02 0.00 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.08 -0.00 -0.09 -0.01 0.01 0.01 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.02 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.05 -0.13 0.09 0.02 0.18 -0.15 -0.11 0.18 -0.12 0.10 -0.17 0.11 -0.01 -0.15 0.13 -0.03 0.08 -0.06 0.06 -0.14 0.01 -0.03 0.03 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.02 -0.01 -0.00 -0.00 0.00 -0.03 0.01 0.02 0.01 0.02 0.00 -0.02 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.22 -0.19 0.09 -0.21 0.18 -0.08 0.13 0.11 -0.15 0.69 -0.02 0.02 -0.00 0.09 -0.08 -0.01 0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 0.00 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 -0.29 0.01 0.06 -0.08 0.01 -0.03 0.00 -0.00 -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.11 -0.08 0.03 -0.09 0.10 -0.05 -0.10 0.11 -0.07 0.11 -0.11 0.06 0.03 -0.07 0.05 -0.09 0.04 -0.01 0.02 0.52 -0.02 -0.01 -0.09 -0.01 0.06 0.03 0.02 0.04 0.02 0.01 -0.01 -0.02 -0.01 0.01 0.00 0.00 -0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.04 -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 0.13 -0.16 0.09 -0.10 0.15 -0.07 0.09 0.02 -0.05 -0.61 -0.07 -0.03 0.10 0.04 -0.07 -0.02 0.04 0.01 0.06 0.01 0.02 -0.01 -0.00 -0.01 -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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 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 0.01 -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 0.01 0.00 0.00 -0.00 -0.00 -0.32 0.18 0.50 -0.10 -0.44 -0.10 -0.12 0.37 -0.50 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.03 -0.06 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.03 -0.02 0.01 -0.03 0.03 -0.01 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.56 0.12 0.35 -0.22 0.51 -0.45 0.08 -0.02 0.02 -0.02 0.04 -0.11 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.01 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 0.04 -0.02 0.03 -0.03 0.01 -0.16 -0.02 -0.11 -0.63 0.16 -0.16 0.12 -0.21 0.67 -0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 0.01 0.02 0.01 -0.01 -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 0.02 -0.02 0.01 -0.01 0.01 -0.00 -0.06 -0.01 -0.04 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.25 0.24 -0.11 0.09 -0.08 0.04 0.73 0.08 0.49 -0.13 0.04 -0.03 0.01 -0.03 0.08 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.11 -0.03 0.03 -0.03 0.05 -0.15 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.03 0.01 -0.05 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.02 -0.02 0.01 -0.10 0.10 -0.04 0.19 0.02 0.13 -0.04 0.01 -0.01 0.00 -0.01 0.02 0.07 0.01 0.04 -0.03 0.07 -0.06 -0.52 0.13 -0.13 0.14 -0.24 0.72 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.02 0.02 -0.09 -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 -0.37 0.22 0.56 -0.00 -0.02 -0.02 0.14 -0.42 0.54 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.05 0.05 -0.02 0.03 -0.03 0.01 -0.02 -0.00 -0.01 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.54 -0.52 0.23 -0.31 0.31 -0.14 0.27 0.03 0.18 -0.14 0.03 -0.04 0.01 -0.01 0.04 -0.02 -0.01 -0.02 0.02 -0.05 0.05 0.11 -0.03 0.03 -0.02 0.04 -0.13 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -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 0.04 -0.08 -0.01 0.00 0.00 0.00 -0.02 0.02 -0.01 -0.03 0.03 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.50 0.85 0.13 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.03 0.03 -0.01 -0.05 0.05 -0.02 -0.01 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.33 -0.32 0.14 0.58 -0.57 0.25 0.08 0.01 0.05 -0.05 0.01 -0.01 -0.00 0.01 -0.03 -0.04 -0.01 -0.02 -0.03 0.06 -0.06 -0.09 0.02 -0.03 0.01 -0.01 0.04 -0.01 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.03 0.05 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 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.09 -0.02 -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 -0.02 -0.00 -0.00 0.00 0.00 -0.17 0.09 0.27 0.20 0.84 0.20 -0.06 0.17 -0.25 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.01 -0.02 0.00 0.00 -0.00 -0.06 0.03 -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 0.01 -0.00 0.00 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.26 -0.11 0.19 -0.07 -0.03 0.05 0.68 -0.33 0.04 0.00 -0.00 -0.00 -0.08 0.42 -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 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.04 -0.02 0.03 0.01 0.01 -0.01 0.02 -0.01 -0.00 0.01 -0.05 0.04 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.03 0.01 -0.01 -0.01 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 0.44 0.19 -0.33 -0.12 -0.05 0.09 -0.26 0.12 -0.01 0.00 -0.00 0.00 -0.10 0.56 -0.47 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.05 -0.02 0.04 -0.01 -0.00 0.01 -0.05 0.02 -0.00 -0.00 0.02 -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.08 0.02 -0.02 -0.01 0.03 -0.10 -0.03 -0.01 -0.02 -0.01 0.02 -0.02 0.01 -0.00 0.00 0.00 -0.00 0.01 0.54 0.23 -0.41 0.11 0.05 -0.08 0.52 -0.25 0.03 0.00 0.00 -0.00 0.04 -0.25 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 -0.00 0.00 -0.07 0.03 -0.06 0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.05 -0.05 0.02 -0.00 -0.00 -0.00 -0.02 0.00 -0.00 -0.00 0.01 -0.02 0.59 0.14 0.36 0.19 -0.47 0.40 -0.21 0.05 -0.05 -0.02 0.04 -0.13 0.03 0.01 -0.02 0.01 0.00 -0.00 0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 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 -0.06 0.03 -0.07 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -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 0.06 -0.05 0.02 0.02 -0.01 0.01 0.06 0.01 0.04 0.67 -0.16 0.16 0.10 -0.20 0.64 0.01 0.00 0.00 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 0.11 0.05 -0.09 0.01 0.01 -0.01 0.04 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.06 -0.03 0.05 0.01 -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 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.03 -0.01 0.02 0.73 0.31 -0.55 -0.06 0.03 -0.00 0.00 -0.00 0.00 -0.03 0.17 -0.14 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.02 -0.07 0.03 -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 0.01 -0.01 0.01 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.16 0.04 0.09 0.05 -0.13 0.11 0.74 -0.18 0.16 0.09 -0.18 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 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.09 -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 0.25 0.93 0.24 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.07 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.98 -0.20 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 9 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 1 298.150 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 9 9 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 18.99840 18.99840 15.99491 14.00307 14.00307 14.00307 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 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 331.14962 0.99985 0.01686 0.00418 -0.01683 0.99983 -0.0071 -0.0043 0.00703 0.99997 asymmetric 1 0.01736 0.00809 0.00635 0.36177 0.16866 0.13230 901264.8 35.51 42.23 59.64 73.93 79.47 84.19 97.57 113.66 120.11 164.98 177.57 229.02 247.09 261.87 282.25 330.65 357.50 385.48 395.85 449.85 485.57 520.17 578.08 599.39 634.69 662.47 686.41 741.85 753.13 788.62 818.70 849.67 870.01 893.94 912.78 1023.03 1040.47 1054.42 1072.74 1096.53 1110.72 1120.43 1148.85 1163.76 1181.13 1199.63 1230.84 1256.32 1261.38 1287.64 1297.05 1313.18 1364.86 1368.83 1393.61 1421.88 1436.39 1451.76 1472.81 1497.98 1523.99 1526.24 1534.67 1539.07 1565.42 1568.08 1600.14 1613.76 1632.24 1652.99 1656.64 1705.68 1706.70 1708.71 1716.31 1747.64 1757.61 1785.51 1814.14 1840.63 1894.95 1896.93 1900.37 1917.17 1947.63 1961.18 2008.28 2047.67 2077.40 2084.20 2095.29 2110.36 2116.57 2122.13 2129.65 2157.10 2160.78 2176.82 2186.92 2232.90 2256.89 2321.58 2367.51 2381.32 4402.76 4470.71 4483.65 4490.93 4494.56 4509.33 4509.95 4521.55 4522.79 4548.45 4554.82 4574.31 4588.93 4589.85 4604.84 4621.48 4627.03 4705.53 5175.10 0.343274 0.365327 0.366272 0.289629 -1136.502776 -1136.480722 -1136.479778 -1136.556420 229.246 83.406 161.308 0.000 0.000 0.000 0.889 2.981 43.287 0.889 2.981 34.942 227.469 77.444 83.079 1 0.593 1.985 6.217 2 0.593 1.984 5.873 3 0.594 1.981 5.189 4 0.596 1.977 4.763 5 0.596 1.975 4.621 6 0.596 1.974 4.507 7 0.598 1.970 4.216 8 0.600 1.963 3.916 9 0.600 1.961 3.807 10 0.608 1.937 3.188 11 0.610 1.929 3.046 12 0.621 1.892 2.560 13 0.626 1.877 2.416 14 0.630 1.864 2.308 15 0.636 1.845 2.169 16 0.652 1.795 1.880 17 0.662 1.765 1.741 18 0.673 1.732 1.610 19 0.677 1.719 1.564 20 0.701 1.650 1.348 21 0.718 1.601 1.224 22 0.736 1.551 1.115 23 0.767 1.466 0.956 24 0.780 1.434 0.904 25 0.801 1.380 0.823 26 0.818 1.338 0.765 27 0.834 1.301 0.718 28 0.871 1.215 0.620 29 0.878 1.198 0.602 30 0.903 1.144 0.548 31 0.925 1.098 0.506 32 0.948 1.052 0.466 33 0.963 1.022 0.442 0.472896e+25 24.674766 56.815748 0.206685e+10 9.315308 21.449290 0.100000e+01 0.000000 0.000000 0.236859e+09 8.374490 19.282976 0.965978e+07 6.984967 16.083482 ctanol ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.2638 -2.4781 2.1387 5.3755 -94.2958 -151.8964 -140.2228 1.8220 6.5834 -3.1437 34.5092 -23.0914 -11.4178 1.8220 6.5834 -3.1437 248.0986 -62.3684 2.4216 6.5272 56.0659 37.4184 14.5532 -2.8307 -15.5940 18.3227 -5593.8058 -3151.6073 -893.0351 184.9948 217.7362 -116.9147 -56.1752 3.7722 -20.0547 -1677.2920 -1343.2755 -648.0846 41.9603 44.3551 7.3252 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) 0 1-A -1136.8460492 3.259E-9 3.477E-6 0.3432736 0.3653274 -1136.4807218 -1136.4797776 -1136.5564201 21.3699819,-13.7473525,-7.6226294,-11.3182974,-7.9720115,-0.4958095 C01 [X(C18H19F2N3O1)] 1.8054431 0.5652704 -0.9452619 -0.6183085 0.1666754 0.424572 0.0371208 -0.4787505 0.0132363 0.2708335 -0.1542467 -1.0303299 -0.9367135 0.4427349 -0.2592809 0.2435608 -0.7303785 0.1028986 -0.269014 0.2015279 -0.6203227 -1.1082968 -0.246159 0.040716 0.2977709 -1.9116109 -0.0639919 0.0105515 -0.038652 -0.5067287 -2.2422338 0.4559576 0.1833008 0.6877298 -0.9527529 -0.0557352 0.2589229 -0.0938393 -0.4141793 -0.8184061 0.1185602 0.1639807 -0.0343546 -0.175498 -0.0242377 0.1286799 -0.0482228 -0.1573225 -0.82639 -0.4320528 -0.0282867 -0.3132378 -0.2591878 0.0702948 0.0609671 0.0923422 -0.2343403 0.1405836 -0.3431389 0.0160149 -0.1213126 0.2731326 -0.1092062 -0.0159949 0.0033539 0.1119219 0.0797193 -0.2114255 -0.0588401 -0.1735883 0.0137612 -0.1430156 -0.0105183 -0.0899348 0.0874437 0.0894608 0.0313569 0.1193172 0.0610052 -0.4781167 0.0877535 0.04778 -0.0620248 0.1643591 -0.1131621 0.1271376 -0.1970173 0.0265621 0.1253701 0.0553656 -0.1502067 0.1046983 -0.1089359 0.1313151 0.1918656 0.0353965 0.1121489 -0.2714442 -0.0369759 -0.021289 -0.0250403 0.0981994 -0.1172998 0.0837231 -0.1755777 0.0800014 0.1632237 0.0637941 -0.1871934 0.0111434 -0.0924533 -0.2533184 0.2454626 -0.0307706 0.155707 0.3840381 -0.2184122 -0.0457584 -0.3560533 0.0422619 1.4351275 0.0147536 -0.1527311 0.2794297 -0.1118219 -0.0271925 -0.1093106 0.0563156 0.1119237 0.0375492 -0.1315402 0.084416 0.0146771 -0.1635319 -0.0780437 0.0213836 0.0043937 -0.1280525 -0.134399 0.0372735 0.0067975 -0.1845288 -0.0681422 -0.0693173 0.0490601 -0.0383609 -0.0997517 -0.0334742 0.0335542 0.0149674 -0.0263533 -0.0736757 -0.0827319 0.0249108 -0.084358 -0.1294804 -0.0221924 0.0016833 0.0033403 -0.0049987 -0.077223 -0.1180503 -0.0472027 -0.078325 -0.0948465 2.9536652 -0.0985637 -0.287658 -0.9450121 2.4378211 0.1514883 -0.1652606 0.090154 0.3974003 -1.0741198 -0.1346473 0.1445777 -0.1058829 -0.3033747 -0.0117986 0.1436778 -0.0129993 -0.1484062 0.2921731 0.4107909 0.0607534 0.5542765 0.0141448 -0.0745847 0.0223185 -0.0895001 -0.1004527 0.8376445 -0.0716449 -0.1914657 0.0228935 -0.0688323 -0.0242595 -0.125323 0.016516 0.0050877 1.5094711 -0.6304922 -0.1646663 -0.401014 1.487822 -0.0062669 -0.0183115 0.0657415 1.7068428 0.7078809 -0.1195779 -0.1368946 -0.216766 0.2073484 0.0315584 -0.1771715 0.0093216 0.2805438 -0.0487187 -0.0998134 0.0376194 -0.1181675 -0.0617452 0.0131063 0.0362757 -0.038227 -0.001794 -0.0461153 -0.1177744 0.0352588 -0.1117356 0.0253743 -0.0165053 0.0253806 -0.0310984 -0.0110149 0.0126402 0.0644811 0.0899768 0.031898 -0.0741718 0.0075792 0.1151968 0.0498104 -0.0250144 -0.1058785 0.0341048 -0.0028302 0.0068798 0.1191312 0.0248401 0.0620186 0.0354176 0.0312069 0.0511032 0.017249 -0.0046279 0.0118 0.0381047 0.07059 -0.0439558 0.0726284 -0.1458506 -0.0214478 0.0944289 0.0922057 0.0583913 -0.0547725 -0.037549 0.0995678 -0.0846446 0.0177819 0.0535321 -0.0370036 0.0747929 -0.0013859 -0.0750892 0.059333 0.0716721 0.1256278 0.011507 -0.0755326 0.0030467 -0.0125684 0.0078441 0.1168648 0.0458939 0.0363628 0.0366997 0.0357405 0.0329179 -0.0085533 0.0065958 0.0102539 0.0670971 0.0780278 -0.0346005 0.0558515 -0.130657 0.0064123 0.0832976 -0.0642981 0.0930172 0.0767314 0.091823 -0.0766288 0.0778281 0.0988059 0.0390987 0.0482902 -0.0734238 0.0726041 0.0956509 0.0726675 -0.0562567 0.0715006 0.1081816 -0.1262273 -0.0584052 0.0280593 -0.0447771 0.1169821 0.0505862 0.025019 0.0479097 0.1484173 0.2018179 0.0229564 0.065479 -0.0137144 0.3942029 0.0074372 -0.0622759 0.0104596 0.3300769 0.0732004 -0.042534 0.0363045 -0.0548047 0.0129181 0.1444961 0.0537373 0.1383198 0.0637282 0.1440102 0.020357 0.0199893 0.0025059 0.1157167 -0.03532 0.0033964 -0.0349066 0.2029174 -0.0024432 -0.0031405 0.0060308 -0.0461579 -0.0093722 -0.0100153 -0.0150634 -0.0173002 0.0472395 -0.0865307 0.0400411 0.0012303 0.020818 0.1133388 -0.0456062 -0.078944 -0.0242836 -0.0255617 0.0211149 -0.0553765 0.0091589 0.0286206 -0.0416743 -0.0554639 0.0336211 -0.037743 0.1140862 -0.0392296 0.0520611 0.0400853 0.0002757 0.0423916 0.10151 0.1089458 0.0621993 -0.0101784 391.6098675|-2.968692|329.3908265|-14.2660734|-17.1449885|247.6455921 0.000003654 -0.000001051 -0.000005353 -0.000002495 0.000001583 -0.000005765 -0.000001415 0.000000083 0.000002591 -0.000004554 -0.000001724 -0.000002348 -0.000003430 -0.000001173 -0.000001742 0.000000953 -0.000007150 0.000005163 0.000005302 0.000002762 -0.000001922 0.000003127 0.000003863 -0.000002871 -0.000000212 0.000000831 -0.000000073 0.000004120 0.000001176 -0.000001270 0.000004112 0.000001244 -0.000001446 0.000002004 0.000001363 -0.000001331 -0.000003008 0.000004490 0.000000445 0.000002797 0.000001811 0.000002275 0.000000345 0.000004595 -0.000001079 -0.000002850 0.000000659 0.000000539 -0.000002187 0.000004539 0.000000199 -0.000004354 0.000005332 -0.000000509 -0.000003229 -0.000002652 0.000003402 -0.000000002 -0.000001106 -0.000005773 0.000001224 -0.000004822 0.000001922 -0.000005237 -0.000006971 0.000009843 0.000002057 -0.000007982 0.000008789 -0.000001264 -0.000006722 0.000001544 0.000002816 0.000001157 -0.000000459 0.000002035 0.000004595 -0.000001294 -0.000000299 0.000000641 -0.000001674 0.000002419 0.000003691 -0.000001219 0.000001848 0.000001654 -0.000001681 0.000004618 0.000004429 -0.000002450 0.000005343 0.000002059 -0.000001994 0.000002677 0.000000220 -0.000000324 0.000002163 0.000002692 -0.000001254 -0.000000220 0.000005056 -0.000001230 -0.000005134 0.000002258 0.000000874 -0.000002612 0.000006349 -0.000000664 0.000002211 -0.000000882 0.000000493 -0.000004518 0.000005037 0.000000701 -0.000003385 -0.000004009 0.000000116 0.000001741 -0.000003683 -0.000000191 -0.000003146 -0.000008218 0.000002398 -0.000003227 -0.000007598 0.000002746 -0.000000792 -0.000008427 0.000001876 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6522,1.1525,1.7273;1.3205,1.8547,-.3341;.5583,-2.9294,-.1149;-.2219,-.7898,.0606;4.3037,-1.2826,-.7461;4.0968,-.0272,-.3086;-1.9631,2.2144,-.8818;-2.3958,2.5738,.505;-2.0854,.7726,-1.3874;-2.994,1.8541,-1.9197;-2.2547,3.9977,.9893;-1.3677,2.9127,1.5579;-2.5506,-.3224,-.4853;-1.6011,-1.0909,.2207;-3.9037,-.6221,-.295;-2.007,-2.1078,1.0888;-4.3124,-1.6424,.5614;-3.3601,-2.3853,1.2569;.7704,-1.7131,-.0964;2.1519,-1.2053,-.2628;2.7996,.0363,-.0155;3.1773,-2.0183,-.7294;2.2904,1.3265,.515;5.6364,-1.6969,-1.1666;-1.0839,2.7493,-1.228;-3.2728,2.0403,.8572;-1.2867,.4722,-2.0597;-4.0306,1.8596,-1.6019;-2.8399,2.1741,-2.9441;-3.038,4.4054,1.6188;-1.8008,4.7143,.3125;-.3272,2.9061,1.258;-1.5471,2.5799,2.5742;-4.6506,-.055,-.8373;-1.2616,-2.6726,1.632;-5.3689,-1.8553,.6827;.0002,.1814,-.1109;-3.6653,-3.1763,1.9328;3.1591,-3.0498,-1.0419;3.0736,2.0732,.6364;6.3342,-1.5723,-.3377;5.5963,-2.7446,-1.4588;5.958,-1.0901,-2.014; Gaussian 16 18-Sep-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C18H19F2N3O)] 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6522,1.1525,1.7273;1.3205,1.8547,-.3341;.5583,-2.9294,-.1149;-.2219,-.7898,.0606;4.3037,-1.2826,-.7461;4.0968,-.0272,-.3086;-1.9631,2.2144,-.8818;-2.3958,2.5738,.505;-2.0854,.7726,-1.3874;-2.994,1.8541,-1.9197;-2.2547,3.9977,.9893;-1.3677,2.9127,1.5579;-2.5506,-.3224,-.4853;-1.6011,-1.0909,.2207;-3.9037,-.6221,-.295;-2.007,-2.1078,1.0888;-4.3124,-1.6424,.5614;-3.3601,-2.3853,1.2569;.7704,-1.7131,-.0964;2.1519,-1.2053,-.2628;2.7996,.0363,-.0155;3.1773,-2.0183,-.7294;2.2904,1.3265,.515;5.6364,-1.6969,-1.1666;-1.0839,2.7493,-1.228;-3.2728,2.0403,.8572;-1.2867,.4722,-2.0597;-4.0306,1.8596,-1.6019;-2.8399,2.1741,-2.9441;-3.038,4.4054,1.6188;-1.8008,4.7143,.3125;-.3272,2.9061,1.258;-1.5471,2.5799,2.5742;-4.6506,-.055,-.8373;-1.2616,-2.6726,1.632;-5.3689,-1.8553,.6827;.0002,.1814,-.1109;-3.6653,-3.1763,1.9328;3.1591,-3.0498,-1.0419;3.0736,2.0732,.6364;6.3342,-1.5723,-.3377;5.5963,-2.7446,-1.4588;5.958,-1.0901,-2.014; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/sedaxane_cis/octano #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 sedaxane_cis CONF11 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 19 19 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 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 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 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 666 A 642 A 642 1016 666 87 87 2100.5743763106 43 43 43 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 -0.0453811863 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.202849 0.000000 4.609976 4.849378 0.000000 3.172178 3.086821 2.284085 0.000000 4.367818 4.348806 4.139870 4.623284 0.000000 3.393018 3.354162 4.580518 4.401043 1.345435 0.000000 4.583186 3.348338 5.779610 3.597982 7.177777 6.486623 0.000000 4.461015 3.877126 6.276567 4.029540 7.830742 7.041411 1.496515 0.000000 4.880136 3.725671 4.723635 2.830317 6.742081 6.326407 1.532819 2.630969 0.000000 5.948189 4.596676 6.225582 4.312431 8.029525 7.511025 1.506662 2.599090 1.509523 0.000000 4.889130 4.373253 7.557484 5.283438 8.596812 7.630577 2.601117 1.510607 4.009811 3.688353 0.000000 3.499521 3.453258 6.374695 4.154885 7.421127 6.479754 2.606535 1.510131 3.710800 3.982409 1.512389 0.000000 4.973367 4.443872 4.074096 2.437056 6.926123 6.656293 2.633985 3.064719 1.493095 2.644168 4.574387 4.004949 0.000000 4.229323 4.185764 2.855784 1.420771 5.986541 5.820509 3.503110 3.760629 2.508642 3.898059 5.187645 4.227463 1.410826 0.000000 6.173105 5.781738 5.026425 3.702738 8.246285 8.022616 3.486571 3.623180 2.538677 3.098229 5.070615 4.728581 1.398916 2.405720 0.000000 4.942378 5.366401 2.950266 2.445520 6.623613 6.598297 4.750438 4.733842 3.799261 5.071706 6.111333 5.082745 2.441456 1.397238 2.778423 0.000000 6.689382 6.690406 5.083035 4.208327 8.722192 8.607027 4.740997 4.631701 3.819648 4.485499 6.018962 5.514840 2.437608 2.787693 1.393341 2.410366 0.000000 6.153096 6.512814 4.187050 3.718161 7.997611 7.976004 5.261416 5.107564 4.311523 5.310096 6.483488 5.668229 2.818812 2.417210 2.410895 1.391486 1.393715 0.000000 3.509340 3.617832 1.234719 1.364472 3.618258 3.735294 4.849164 5.363217 4.000119 5.497315 6.553094 5.357810 3.621335 2.472215 4.803830 3.045340 5.125685 4.398195 0.000000 3.125557 3.171721 2.352478 2.431506 2.206749 2.274296 5.386167 5.962590 4.809529 6.211768 6.932256 5.714861 4.789827 3.785809 6.083723 4.465159 6.531321 5.838174 1.481309 0.000000 2.366353 2.365539 3.718667 3.133299 2.129733 1.331460 5.308260 5.805311 5.127099 6.363670 6.499790 5.302336 5.382696 4.548923 6.741323 5.377681 7.330163 6.739776 2.680429 1.421995 0.000000 4.291315 4.313305 2.840270 3.699751 1.345457 2.233148 6.660592 7.326058 5.993208 7.382305 8.285695 7.085434 5.978689 4.959498 7.230435 5.494603 7.609465 6.842373 2.507432 1.389344 2.207684 0.000000 1.380973 1.393086 4.637840 3.316166 3.528686 2.402975 4.564154 4.849334 4.803499 5.842213 5.293136 4.121227 5.210991 4.590708 6.543691 5.530915 7.239722 6.801151 3.453089 2.652189 1.485068 3.677414 0.000000 5.689193 5.650999 5.330330 6.053788 1.457552 2.427780 8.551707 9.249267 8.110057 9.362743 9.967163 8.816305 8.329455 7.394161 9.639924 7.979741 10.097909 9.342588 4.982321 3.633185 3.518017 2.518215 4.812965 0.000000 4.332457 2.716699 6.015241 3.863844 6.746458 5.949313 1.085844 2.180707 2.221690 2.220034 2.801001 2.805094 3.484030 4.136894 4.493169 5.459983 5.736961 6.141656 4.963093 5.200075 4.889969 6.413814 4.055642 8.058191 0.000000 5.079485 4.748893 6.349785 4.237013 8.427091 7.742421 2.183950 1.085216 2.838220 2.797115 2.210260 2.209417 2.811827 3.606147 2.968872 4.343165 3.838073 4.444463 5.598677 6.419951 6.453782 7.784225 5.619200 9.870965 3.105201 0.000000 4.841671 3.418576 4.330951 2.687491 6.004809 5.683171 2.209154 3.496366 1.086325 2.200940 4.760483 4.364576 2.169738 2.782570 3.340740 4.133804 4.527342 4.843967 3.586358 4.226958 4.589833 5.282078 4.489415 7.309727 2.432699 3.861609 0.000000 6.624051 5.499216 6.797311 4.928482 8.947984 8.443203 2.217861 2.760723 2.238629 1.084191 3.799900 4.264311 2.863347 4.234389 2.807737 5.203421 4.125981 5.161544 6.170943 7.029245 7.245148 8.231285 6.687311 10.309644 3.100695 2.579567 3.108596 0.000000 6.560865 4.921684 6.752571 4.966619 8.234728 7.740141 2.241356 3.500508 2.226378 1.084211 4.374879 4.793854 3.515999 4.712851 3.996055 5.940759 5.387263 6.221470 6.021118 6.597551 6.704497 7.660826 6.245294 9.486373 2.521782 3.828244 2.467963 1.821581 0.000000 5.708892 5.414461 8.350893 6.111358 9.583684 8.617938 3.494100 2.237810 4.810644 4.362620 1.084527 2.240977 5.197776 5.850535 5.448658 6.615581 6.270405 6.807918 7.408256 7.871161 7.472429 9.241685 6.252149 10.965458 3.829600 2.495733 5.662917 4.223635 5.083156 0.000000 5.158660 4.282285 8.010867 5.731690 8.622584 7.592770 2.775297 2.230061 4.302123 3.819393 1.085183 2.232607 5.154374 5.809427 5.767939 6.869281 6.839475 7.329924 6.934741 7.141188 6.569237 8.437780 5.315629 9.929907 2.597803 3.100623 4.887476 4.097098 4.258906 1.825552 0.000000 2.685828 2.520938 6.059855 3.886504 6.557997 5.534508 2.780869 2.226340 3.826428 4.279809 2.231319 1.082825 4.290209 4.321505 5.258485 5.290563 6.087400 6.098977 4.937290 5.036107 4.431071 6.362532 3.146240 7.913953 2.603363 3.096252 4.225152 4.794704 4.950479 3.118724 2.516944 0.000000 3.604226 4.148137 6.481936 4.407839 7.757272 6.852831 3.500015 2.236446 4.387525 4.776565 2.241119 1.084338 4.334797 4.360807 4.902901 4.938893 5.433784 5.447490 5.561744 6.004876 5.663025 7.374115 4.531797 9.158962 3.834063 2.493404 5.097364 4.911822 5.682206 2.543198 3.120143 1.823986 0.000000 6.910913 6.289202 5.993017 4.578175 9.038520 8.763423 3.517770 3.714314 2.750954 2.749627 5.049829 5.032053 2.146049 3.389947 1.083336 3.861690 2.142572 3.388386 5.717114 6.922970 7.495906 8.071117 7.205164 10.422399 4.553918 3.026540 3.617733 2.152872 3.561759 5.341135 5.673605 5.643591 5.311517 0.000000 4.809434 5.570369 2.535614 2.663591 6.209666 6.283009 5.540177 5.484566 4.654502 6.008876 6.774318 5.586751 3.415736 2.146740 3.859799 1.081461 3.393346 2.151027 2.834931 4.170766 5.152217 5.070334 5.464144 7.507742 6.132536 5.182323 4.849626 6.218211 6.849929 7.297479 7.523173 5.668770 5.343940 4.943099 0.000000 7.709326 7.716565 6.076263 5.292774 9.794297 9.691421 5.532525 5.337299 4.687431 5.115818 6.636935 6.285611 3.414149 3.872138 2.150144 3.395764 1.084489 2.155419 6.190136 7.607820 8.413619 8.663626 8.295535 11.160684 6.573729 4.427124 5.440761 4.561880 5.982046 6.745716 7.485161 6.958463 6.152570 2.463159 4.294052 0.000000 2.655407 2.143121 3.160402 1.010957 4.589838 4.106655 2.929529 3.441499 2.515721 3.877559 4.567172 3.480800 2.626896 2.071990 3.990010 3.272386 4.730452 4.444144 2.045127 2.564297 2.804716 3.913468 2.635891 6.033951 3.002922 3.886596 2.353444 4.613795 4.479307 5.483166 4.895987 3.066822 3.918775 4.713140 3.574199 5.796980 0.000000 6.859768 7.436934 4.700259 4.588805 8.617854 8.671246 6.314996 6.059159 5.395726 6.371645 7.371971 6.518841 3.903124 3.397174 3.397625 2.145715 2.156970 1.084339 5.092524 6.522694 7.477367 7.433013 7.599686 9.915442 7.194970 5.340799 5.908455 6.163501 7.286472 7.614058 8.268247 6.970946 6.166979 4.288029 2.474236 2.492079 5.374649 0.000000 5.253368 5.285395 2.763705 4.213541 2.126136 3.248496 7.346716 8.054441 6.498806 7.917045 9.115962 7.924701 6.352055 5.300091 7.505621 5.667000 7.770111 6.944468 2.895920 2.241334 3.272086 1.077890 4.725527 2.825405 7.187969 8.419305 5.762436 8.723961 8.178937 10.052993 9.312154 7.274365 8.180289 8.366714 5.180170 8.782213 4.613612 7.445587 0.000000 2.014465 2.015738 5.649512 4.403292 3.832209 2.520258 5.262487 5.493892 5.692390 6.587776 5.676185 4.612908 6.215222 5.660215 7.537608 6.595299 8.268323 7.852126 4.492026 3.522258 2.156152 4.314703 1.088918 4.902224 4.606350 6.350364 5.370767 7.451564 6.913785 6.614879 5.553449 3.556108 5.036162 8.146460 6.504433 9.311867 3.685553 8.640058 5.391531 0.000000 5.797384 6.073035 5.937370 6.614620 2.091312 2.719182 9.136764 9.701196 8.802830 10.062746 10.322510 9.111909 8.973463 7.969502 10.281973 8.479170 10.684733 9.858135 5.570810 4.199004 3.896800 3.212163 5.048069 1.090600 8.631162 10.333110 8.076111 10.991132 10.246582 11.287125 10.301595 8.183948 9.372026 11.100330 7.923777 11.750872 6.576161 10.378690 3.572092 4.986967 0.000000 6.394857 6.379758 5.217468 6.323075 2.077534 3.309913 9.059229 9.798757 8.448923 9.754722 10.634337 9.465825 8.554909 7.573543 9.803544 8.043946 10.172453 9.365955 5.119515 3.957746 4.199795 2.628856 5.603510 1.088462 8.652247 10.340229 7.621359 10.672238 9.877710 11.625209 10.653191 8.625526 9.779742 10.612228 7.522551 11.207681 6.457105 9.872495 2.491374 5.827936 1.781982 0.000000 6.129130 5.744625 6.012209 6.525765 2.093143 2.739005 8.657146 9.463403 8.280026 9.424261 10.116985 9.079978 8.678861 7.882559 10.021354 8.608344 10.602808 9.960085 5.565671 4.191213 3.903654 3.200607 5.068308 1.090717 8.058995 10.161268 7.411426 10.423203 9.429923 11.150176 9.965114 8.135099 9.531369 10.723755 8.241358 11.668592 6.382289 10.608354 3.552356 5.034953 1.784319 1.782251 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.2057,-1.5635,-1.7908;.8754,-2.1021,.3195;1.3125,2.7119,-.0698;.0131,.8335,-.0894;4.5684,.1937,.3731;4.0215,-.9809,.0106;-2.3399,-1.6084,1.113;-2.9577,-1.8857,-.2215;-2.0588,-.1687,1.5578;-3.1625,-.9715,2.2029;-3.2144,-3.3122,-.6471;-2.1337,-2.5016,-1.327;-2.3074,.9826,.6402;-1.2561,1.4675,-.166;-3.5541,1.6078,.5317;-1.4641,2.5293,-1.0502;-3.7631,2.6739,-.3407;-2.7146,3.1336,-1.1355;1.2132,1.4814,-.046;2.4336,.647,.0464;2.7301,-.724,-.1872;3.663,1.1884,.4011;1.8752,-1.8588,-.6195;5.9915,.2707,.6789;-1.5967,-2.3375,1.4213;-3.6996,-1.1587,-.5358;-1.1595,-.0605,2.1575;-4.1898,-.7248,1.9593;-3.0116,-1.2914,3.2278;-4.1223,-3.5269,-1.2002;-2.9006,-4.1009,.0289;-1.1038,-2.7488,-1.1017;-2.3052,-2.1627,-2.3426;-4.3729,1.2622,1.1512;-.6475,2.8729,-1.6703;-4.7396,3.1423,-.3973;-.0005,-.1572,.1115;-2.8663,3.9568,-1.8248;3.9269,2.1995,.6654;2.4358,-2.7816,-.7606;6.5679,-.0484,-.1902;6.2368,1.3025,.9237;6.2186,-.3737,1.5291; 0.3617736 0.1686617 0.1322964 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= 642 RedAO= T EigKep= 1.58D-06 NBF= 642 NBsUse= 639 1.00D-06 EigRej= 9.36D-07 NBFU= 639 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= 664 664 664 664 664 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -1136.84604919408 -1136.84604919 1 1.132195395109e+03 -6.857602010704e+03 2.488031893847e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773968486 LenY= 3773524264 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. PT1170.700S 2022-09-18T16:23:56.000 -24.70287 -24.70042 -19.10179 -14.41622 -14.35747 -14.35414 -10.35095 -10.29627 -10.22773 -10.22667 -10.21971 -10.21224 -10.19887 -10.18823 -10.18059 -10.17888 -10.17400 -10.17324 -10.17273 -10.17250 -10.17164 -10.16721 -10.16314 -10.16096 -1.26643 -1.20937 -1.08155 -1.05307 -0.94788 -0.87874 -0.87469 -0.85355 -0.83503 -0.81736 -0.76088 -0.75505 -0.75025 -0.70333 -0.65806 -0.64517 -0.63295 -0.62039 -0.60360 -0.59427 -0.58393 -0.57918 -0.57123 -0.56159 -0.55719 -0.54907 -0.52955 -0.51045 -0.50090 -0.49506 -0.48963 -0.48595 -0.46893 -0.46320 -0.45080 -0.44844 -0.44100 -0.43720 -0.43500 -0.42711 -0.42301 -0.42083 -0.41759 -0.41094 -0.40313 -0.38646 -0.37965 -0.36869 -0.36018 -0.35984 -0.35423 -0.33973 -0.33675 -0.33292 -0.31152 -0.30579 -0.28518 -0.28343 -0.28063 -0.27118 -0.26602 -0.24436 -0.22886 -0.04677 -0.02083 -0.01500 -0.00487 0.00546 0.01244 0.01534 0.01924 0.02097 0.03126 0.03452 0.03711 0.04187 0.04311 0.04840 0.05056 0.05390 0.05687 0.06378 0.06491 0.06982 0.07279 0.07586 0.07935 0.08111 0.08272 0.08575 0.09091 0.09232 0.09818 0.10570 0.10967 0.11220 0.11359 0.11741 0.12078 0.12435 0.12948 0.13176 0.13254 0.13404 0.13954 0.14067 0.14669 0.15028 0.15264 0.15360 0.15875 0.16136 0.16443 0.16525 0.16735 0.16894 0.17048 0.17166 0.17672 0.17957 0.18385 0.18464 0.18729 0.19175 0.19373 0.19551 0.19592 0.19757 0.20137 0.20206 0.20436 0.20680 0.20894 0.21379 0.21872 0.21986 0.22201 0.22226 0.22847 0.23166 0.23390 0.23551 0.23713 0.23765 0.24296 0.24541 0.24717 0.25096 0.25416 0.25490 0.25687 0.26297 0.26638 0.26708 0.27269 0.27307 0.27515 0.27893 0.28172 0.28295 0.28791 0.29044 0.29244 0.29627 0.29834 0.30329 0.30783 0.30969 0.31291 0.31606 0.31693 0.32423 0.33017 0.33111 0.33367 0.33674 0.34501 0.34684 0.35049 0.35276 0.35469 0.35950 0.36666 0.36887 0.37226 0.37947 0.38537 0.38768 0.38872 0.39735 0.40201 0.40534 0.41424 0.41903 0.42438 0.43272 0.43784 0.43955 0.44500 0.45447 0.46240 0.46555 0.47378 0.48208 0.49015 0.49361 0.49645 0.50129 0.51722 0.51925 0.52652 0.53540 0.54246 0.54665 0.55481 0.55726 0.56208 0.56852 0.57204 0.57639 0.58439 0.59276 0.59582 0.60473 0.60601 0.61564 0.61809 0.62075 0.62174 0.62938 0.63239 0.64237 0.64808 0.65373 0.65929 0.66415 0.66574 0.67266 0.67817 0.68194 0.68282 0.68742 0.69727 0.70084 0.70804 0.71082 0.71181 0.71826 0.72187 0.72347 0.72915 0.73251 0.73756 0.73839 0.74691 0.74887 0.75266 0.75562 0.75842 0.76627 0.77323 0.77661 0.79131 0.79474 0.79827 0.80634 0.81334 0.81917 0.82577 0.82871 0.84899 0.85167 0.85184 0.85858 0.86228 0.87236 0.87853 0.88744 0.89673 0.90148 0.90641 0.91548 0.91892 0.92440 0.93764 0.95086 0.96362 0.96621 0.97189 0.98523 0.99467 0.99721 1.00031 1.01238 1.01591 1.02985 1.03840 1.05324 1.05985 1.06371 1.06923 1.07590 1.09005 1.09764 1.10862 1.11918 1.12307 1.13628 1.14923 1.15396 1.15634 1.18472 1.19335 1.20491 1.21399 1.23390 1.23656 1.24994 1.25768 1.27940 1.28867 1.29604 1.30543 1.31207 1.32693 1.33027 1.34275 1.35284 1.36075 1.37615 1.38595 1.39872 1.41313 1.42243 1.43331 1.44048 1.44814 1.45738 1.47055 1.47521 1.48943 1.49992 1.50562 1.50957 1.51535 1.51972 1.52711 1.53988 1.54418 1.55144 1.55459 1.56481 1.56658 1.57036 1.57510 1.57828 1.58542 1.59246 1.60018 1.60674 1.60946 1.61614 1.62325 1.62975 1.63709 1.64163 1.65052 1.65651 1.66853 1.67174 1.68283 1.68883 1.69458 1.70916 1.72853 1.73022 1.73091 1.74691 1.75441 1.76189 1.76335 1.76585 1.77702 1.78940 1.79315 1.79652 1.80551 1.81697 1.82380 1.84177 1.84414 1.84997 1.86582 1.87169 1.87947 1.88971 1.89802 1.90737 1.91969 1.92117 1.92959 1.93476 1.94244 1.94848 1.95446 1.97033 1.97887 1.98829 1.99728 2.00508 2.01058 2.01637 2.02935 2.03418 2.04306 2.04987 2.05525 2.06754 2.07322 2.07575 2.08654 2.09130 2.10685 2.13338 2.13723 2.14202 2.16913 2.17749 2.18505 2.19258 2.20496 2.22185 2.22414 2.24149 2.25337 2.27142 2.27602 2.28233 2.30952 2.32761 2.33022 2.34718 2.35807 2.36522 2.37780 2.39116 2.39803 2.41191 2.43618 2.43986 2.45143 2.46578 2.46944 2.47573 2.47936 2.49321 2.50444 2.51127 2.52549 2.53171 2.58059 2.58769 2.59403 2.60197 2.61164 2.63444 2.64195 2.65912 2.66382 2.66821 2.68218 2.69281 2.71331 2.71690 2.72282 2.73128 2.73316 2.74278 2.75723 2.76224 2.76816 2.77913 2.78627 2.78702 2.79831 2.80851 2.81086 2.82111 2.82256 2.84442 2.85530 2.86481 2.87036 2.88398 2.88796 2.89640 2.91097 2.91901 2.92708 2.93378 2.93910 2.94485 2.96077 2.96726 2.97426 2.98680 3.00152 3.00192 3.02015 3.02743 3.03037 3.03734 3.05880 3.06612 3.07787 3.09741 3.12554 3.16537 3.18750 3.19006 3.20431 3.23986 3.26315 3.29896 3.32961 3.35267 3.37004 3.38525 3.39360 3.41829 3.43368 3.46050 3.48825 3.51158 3.54571 3.55560 3.57675 3.58254 3.61678 3.62371 3.63557 3.68435 3.69108 3.72683 3.73074 3.75196 3.77611 3.77942 3.80047 3.82392 3.83247 3.85433 3.85874 3.88600 3.89942 3.93297 3.95086 4.00360 4.00895 4.02472 4.04639 4.06967 4.07434 4.10241 4.14028 4.16953 4.20551 4.21901 4.29742 4.36102 4.38021 4.43655 4.55321 4.60070 4.65392 4.77902 4.85362 4.88222 4.91799 4.98883 5.10247 5.11293 5.27979 5.43810 5.79508 6.37700 6.42319 6.44011 6.48927 6.60867 6.68111 23.63214 23.68212 23.76668 23.87132 23.88428 23.89529 23.92339 23.92916 23.94177 23.95275 23.96781 23.98853 24.01134 24.01360 24.07543 24.10068 24.10657 24.19584 35.50499 35.57272 35.66258 50.04033 66.77488 66.84002 1-A. Mulliken charges: 1 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.105360 -0.089783 -0.446472 0.045107 0.095561 -0.192972 0.097680 -0.100216 -0.882842 -0.529260 -0.354005 -0.450924 1.261841 -0.130006 -0.404217 0.013463 -0.489043 -0.177981 -0.562930 1.164241 -0.744329 0.062374 -0.282597 -0.298621 0.166471 0.169817 0.206669 0.158718 0.170758 0.162745 0.159178 0.166191 0.170974 0.148412 0.160717 0.155193 0.331756 0.158038 0.184324 0.247387 0.200640 0.182418 0.200884 -0.00000 4.2638 -2.4781 2.1387 5.3755 -94.2957 -151.8964 -140.2228 1.8221 6.5834 -3.1437 34.5092 -23.0914 -11.4178 1.8221 6.5834 -3.1437 248.0986 -62.3684 2.4216 6.5271 56.0660 37.4184 14.5532 -2.8307 -15.5940 18.3227 -5593.8054 -3151.6072 -893.0351 184.9947 217.7362 -116.9147 -56.1753 3.7722 -20.0547 -1677.2919 -1343.2755 -648.0846 41.9603 44.3551 7.3252 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-BELVIS26 APULGAR 2022-09-18T00:00:00.000 0 Wavefunction sedaxane_cis CONF11 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1136.8460492 RMSD=4.777e-09 Dipole=1.8054428,0.5652684,-0.9452631 Quadrupole=21.3699888,-13.7473508,-7.622638,-11.3183088,-7.9720143,-0.4958075 PG=C01 [X(C18H19F2N3O1)] 0 1.6522262605 1.1524910437 1.7272944969 0 1.3204846462 1.8547218555 -0.3341038559 0 0.5582760412 -2.9293610361 -0.1148875898 0 -0.2218980927 -0.7898373279 0.0606424524 0 4.3037011624 -1.2825963072 -0.746137514 0 4.0968145974 -0.0272298408 -0.3085884793 0 -1.9631203374 2.2144069794 -0.8817654333 0 -2.3958254926 2.57375502 0.5050262716 0 -2.0854057778 0.7725727511 -1.3874276864 0 -2.9940491137 1.8540867833 -1.9197369361 0 -2.2546814506 3.9976620171 0.989277508 0 -1.3676598217 2.9126722785 1.5578818795 0 -2.5505820716 -0.3224309509 -0.4852571816 0 -1.6011403363 -1.0909376852 0.220707785 0 -3.9037019713 -0.6221396001 -0.2949739725 0 -2.0069570787 -2.1078373711 1.0887521053 0 -4.3124183767 -1.6424214397 0.5613990538 0 -3.3600983148 -2.3852890054 1.2568678814 0 0.7703855058 -1.7131370406 -0.0964384554 0 2.1519258181 -1.2052511233 -0.2627951692 0 2.7995642335 0.0363159697 -0.0155180778 0 3.1773396262 -2.0183162992 -0.7294097935 0 2.2903645694 1.3265317458 0.5150342864 0 5.6363933496 -1.6968547532 -1.1665883989 0 -1.0838970541 2.7493082504 -1.2280369867 0 -3.2728035135 2.0403077015 0.857216645 0 -1.2867238396 0.4722110494 -2.0597313854 0 -4.0305926908 1.8596366994 -1.6019053664 0 -2.8399008943 2.174074383 -2.9441193952 0 -3.0380279967 4.4053660608 1.6188357877 0 -1.8008103883 4.7143312337 0.3125149966 0 -0.3272119976 2.9061304287 1.2579907527 0 -1.5471164397 2.5798858024 2.5741676736 0 -4.6506012095 -0.0549923251 -0.837285123 0 -1.2616008266 -2.6725810015 1.6319519663 0 -5.3688788745 -1.8552578527 0.6826732051 0 0.0002272956 0.1813792306 -0.110918439 0 -3.6652556965 -3.1763129285 1.9328490079 0 3.1590973339 -3.0497634212 -1.0418700273 0 3.0736359263 2.0731857356 0.6364296438 0 6.3341845323 -1.5723113929 -0.3377424734 0 5.5963080705 -2.7445964059 -1.4587886346 0 5.958020289 -1.0901042753 -2.0139800312 Gaussian 16 18-Sep-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C18H19F2N3O)] 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6522,1.1525,1.7273;1.3205,1.8547,-.3341;.5583,-2.9294,-.1149;-.2219,-.7898,.0606;4.3037,-1.2826,-.7461;4.0968,-.0272,-.3086;-1.9631,2.2144,-.8818;-2.3958,2.5738,.505;-2.0854,.7726,-1.3874;-2.994,1.8541,-1.9197;-2.2547,3.9977,.9893;-1.3677,2.9127,1.5579;-2.5506,-.3224,-.4853;-1.6011,-1.0909,.2207;-3.9037,-.6221,-.295;-2.007,-2.1078,1.0888;-4.3124,-1.6424,.5614;-3.3601,-2.3853,1.2569;.7704,-1.7131,-.0964;2.1519,-1.2053,-.2628;2.7996,.0363,-.0155;3.1773,-2.0183,-.7294;2.2904,1.3265,.515;5.6364,-1.6969,-1.1666;-1.0839,2.7493,-1.228;-3.2728,2.0403,.8572;-1.2867,.4722,-2.0597;-4.0306,1.8596,-1.6019;-2.8399,2.1741,-2.9441;-3.038,4.4054,1.6188;-1.8008,4.7143,.3125;-.3272,2.9061,1.258;-1.5471,2.5799,2.5742;-4.6506,-.055,-.8373;-1.2616,-2.6726,1.632;-5.3689,-1.8553,.6827;.0002,.1814,-.1109;-3.6653,-3.1763,1.9328;3.1591,-3.0498,-1.0419;3.0736,2.0732,.6364;6.3342,-1.5723,-.3377;5.5963,-2.7446,-1.4588;5.958,-1.0901,-2.014; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/sedaxane_cis/octano #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 sedaxane_cis CONF11 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 19 19 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 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 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 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 666 A 642 A 642 1016 666 87 87 2100.5743763106 43 43 43 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 -0.0453811863 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.202849 0.000000 4.609976 4.849378 0.000000 3.172178 3.086821 2.284085 0.000000 4.367818 4.348806 4.139870 4.623284 0.000000 3.393018 3.354162 4.580518 4.401043 1.345435 0.000000 4.583186 3.348338 5.779610 3.597982 7.177777 6.486623 0.000000 4.461015 3.877126 6.276567 4.029540 7.830742 7.041411 1.496515 0.000000 4.880136 3.725671 4.723635 2.830317 6.742081 6.326407 1.532819 2.630969 0.000000 5.948189 4.596676 6.225582 4.312431 8.029525 7.511025 1.506662 2.599090 1.509523 0.000000 4.889130 4.373253 7.557484 5.283438 8.596812 7.630577 2.601117 1.510607 4.009811 3.688353 0.000000 3.499521 3.453258 6.374695 4.154885 7.421127 6.479754 2.606535 1.510131 3.710800 3.982409 1.512389 0.000000 4.973367 4.443872 4.074096 2.437056 6.926123 6.656293 2.633985 3.064719 1.493095 2.644168 4.574387 4.004949 0.000000 4.229323 4.185764 2.855784 1.420771 5.986541 5.820509 3.503110 3.760629 2.508642 3.898059 5.187645 4.227463 1.410826 0.000000 6.173105 5.781738 5.026425 3.702738 8.246285 8.022616 3.486571 3.623180 2.538677 3.098229 5.070615 4.728581 1.398916 2.405720 0.000000 4.942378 5.366401 2.950266 2.445520 6.623613 6.598297 4.750438 4.733842 3.799261 5.071706 6.111333 5.082745 2.441456 1.397238 2.778423 0.000000 6.689382 6.690406 5.083035 4.208327 8.722192 8.607027 4.740997 4.631701 3.819648 4.485499 6.018962 5.514840 2.437608 2.787693 1.393341 2.410366 0.000000 6.153096 6.512814 4.187050 3.718161 7.997611 7.976004 5.261416 5.107564 4.311523 5.310096 6.483488 5.668229 2.818812 2.417210 2.410895 1.391486 1.393715 0.000000 3.509340 3.617832 1.234719 1.364472 3.618258 3.735294 4.849164 5.363217 4.000119 5.497315 6.553094 5.357810 3.621335 2.472215 4.803830 3.045340 5.125685 4.398195 0.000000 3.125557 3.171721 2.352478 2.431506 2.206749 2.274296 5.386167 5.962590 4.809529 6.211768 6.932256 5.714861 4.789827 3.785809 6.083723 4.465159 6.531321 5.838174 1.481309 0.000000 2.366353 2.365539 3.718667 3.133299 2.129733 1.331460 5.308260 5.805311 5.127099 6.363670 6.499790 5.302336 5.382696 4.548923 6.741323 5.377681 7.330163 6.739776 2.680429 1.421995 0.000000 4.291315 4.313305 2.840270 3.699751 1.345457 2.233148 6.660592 7.326058 5.993208 7.382305 8.285695 7.085434 5.978689 4.959498 7.230435 5.494603 7.609465 6.842373 2.507432 1.389344 2.207684 0.000000 1.380973 1.393086 4.637840 3.316166 3.528686 2.402975 4.564154 4.849334 4.803499 5.842213 5.293136 4.121227 5.210991 4.590708 6.543691 5.530915 7.239722 6.801151 3.453089 2.652189 1.485068 3.677414 0.000000 5.689193 5.650999 5.330330 6.053788 1.457552 2.427780 8.551707 9.249267 8.110057 9.362743 9.967163 8.816305 8.329455 7.394161 9.639924 7.979741 10.097909 9.342588 4.982321 3.633185 3.518017 2.518215 4.812965 0.000000 4.332457 2.716699 6.015241 3.863844 6.746458 5.949313 1.085844 2.180707 2.221690 2.220034 2.801001 2.805094 3.484030 4.136894 4.493169 5.459983 5.736961 6.141656 4.963093 5.200075 4.889969 6.413814 4.055642 8.058191 0.000000 5.079485 4.748893 6.349785 4.237013 8.427091 7.742421 2.183950 1.085216 2.838220 2.797115 2.210260 2.209417 2.811827 3.606147 2.968872 4.343165 3.838073 4.444463 5.598677 6.419951 6.453782 7.784225 5.619200 9.870965 3.105201 0.000000 4.841671 3.418576 4.330951 2.687491 6.004809 5.683171 2.209154 3.496366 1.086325 2.200940 4.760483 4.364576 2.169738 2.782570 3.340740 4.133804 4.527342 4.843967 3.586358 4.226958 4.589833 5.282078 4.489415 7.309727 2.432699 3.861609 0.000000 6.624051 5.499216 6.797311 4.928482 8.947984 8.443203 2.217861 2.760723 2.238629 1.084191 3.799900 4.264311 2.863347 4.234389 2.807737 5.203421 4.125981 5.161544 6.170943 7.029245 7.245148 8.231285 6.687311 10.309644 3.100695 2.579567 3.108596 0.000000 6.560865 4.921684 6.752571 4.966619 8.234728 7.740141 2.241356 3.500508 2.226378 1.084211 4.374879 4.793854 3.515999 4.712851 3.996055 5.940759 5.387263 6.221470 6.021118 6.597551 6.704497 7.660826 6.245294 9.486373 2.521782 3.828244 2.467963 1.821581 0.000000 5.708892 5.414461 8.350893 6.111358 9.583684 8.617938 3.494100 2.237810 4.810644 4.362620 1.084527 2.240977 5.197776 5.850535 5.448658 6.615581 6.270405 6.807918 7.408256 7.871161 7.472429 9.241685 6.252149 10.965458 3.829600 2.495733 5.662917 4.223635 5.083156 0.000000 5.158660 4.282285 8.010867 5.731690 8.622584 7.592770 2.775297 2.230061 4.302123 3.819393 1.085183 2.232607 5.154374 5.809427 5.767939 6.869281 6.839475 7.329924 6.934741 7.141188 6.569237 8.437780 5.315629 9.929907 2.597803 3.100623 4.887476 4.097098 4.258906 1.825552 0.000000 2.685828 2.520938 6.059855 3.886504 6.557997 5.534508 2.780869 2.226340 3.826428 4.279809 2.231319 1.082825 4.290209 4.321505 5.258485 5.290563 6.087400 6.098977 4.937290 5.036107 4.431071 6.362532 3.146240 7.913953 2.603363 3.096252 4.225152 4.794704 4.950479 3.118724 2.516944 0.000000 3.604226 4.148137 6.481936 4.407839 7.757272 6.852831 3.500015 2.236446 4.387525 4.776565 2.241119 1.084338 4.334797 4.360807 4.902901 4.938893 5.433784 5.447490 5.561744 6.004876 5.663025 7.374115 4.531797 9.158962 3.834063 2.493404 5.097364 4.911822 5.682206 2.543198 3.120143 1.823986 0.000000 6.910913 6.289202 5.993017 4.578175 9.038520 8.763423 3.517770 3.714314 2.750954 2.749627 5.049829 5.032053 2.146049 3.389947 1.083336 3.861690 2.142572 3.388386 5.717114 6.922970 7.495906 8.071117 7.205164 10.422399 4.553918 3.026540 3.617733 2.152872 3.561759 5.341135 5.673605 5.643591 5.311517 0.000000 4.809434 5.570369 2.535614 2.663591 6.209666 6.283009 5.540177 5.484566 4.654502 6.008876 6.774318 5.586751 3.415736 2.146740 3.859799 1.081461 3.393346 2.151027 2.834931 4.170766 5.152217 5.070334 5.464144 7.507742 6.132536 5.182323 4.849626 6.218211 6.849929 7.297479 7.523173 5.668770 5.343940 4.943099 0.000000 7.709326 7.716565 6.076263 5.292774 9.794297 9.691421 5.532525 5.337299 4.687431 5.115818 6.636935 6.285611 3.414149 3.872138 2.150144 3.395764 1.084489 2.155419 6.190136 7.607820 8.413619 8.663626 8.295535 11.160684 6.573729 4.427124 5.440761 4.561880 5.982046 6.745716 7.485161 6.958463 6.152570 2.463159 4.294052 0.000000 2.655407 2.143121 3.160402 1.010957 4.589838 4.106655 2.929529 3.441499 2.515721 3.877559 4.567172 3.480800 2.626896 2.071990 3.990010 3.272386 4.730452 4.444144 2.045127 2.564297 2.804716 3.913468 2.635891 6.033951 3.002922 3.886596 2.353444 4.613795 4.479307 5.483166 4.895987 3.066822 3.918775 4.713140 3.574199 5.796980 0.000000 6.859768 7.436934 4.700259 4.588805 8.617854 8.671246 6.314996 6.059159 5.395726 6.371645 7.371971 6.518841 3.903124 3.397174 3.397625 2.145715 2.156970 1.084339 5.092524 6.522694 7.477367 7.433013 7.599686 9.915442 7.194970 5.340799 5.908455 6.163501 7.286472 7.614058 8.268247 6.970946 6.166979 4.288029 2.474236 2.492079 5.374649 0.000000 5.253368 5.285395 2.763705 4.213541 2.126136 3.248496 7.346716 8.054441 6.498806 7.917045 9.115962 7.924701 6.352055 5.300091 7.505621 5.667000 7.770111 6.944468 2.895920 2.241334 3.272086 1.077890 4.725527 2.825405 7.187969 8.419305 5.762436 8.723961 8.178937 10.052993 9.312154 7.274365 8.180289 8.366714 5.180170 8.782213 4.613612 7.445587 0.000000 2.014465 2.015738 5.649512 4.403292 3.832209 2.520258 5.262487 5.493892 5.692390 6.587776 5.676185 4.612908 6.215222 5.660215 7.537608 6.595299 8.268323 7.852126 4.492026 3.522258 2.156152 4.314703 1.088918 4.902224 4.606350 6.350364 5.370767 7.451564 6.913785 6.614879 5.553449 3.556108 5.036162 8.146460 6.504433 9.311867 3.685553 8.640058 5.391531 0.000000 5.797384 6.073035 5.937370 6.614620 2.091312 2.719182 9.136764 9.701196 8.802830 10.062746 10.322510 9.111909 8.973463 7.969502 10.281973 8.479170 10.684733 9.858135 5.570810 4.199004 3.896800 3.212163 5.048069 1.090600 8.631162 10.333110 8.076111 10.991132 10.246582 11.287125 10.301595 8.183948 9.372026 11.100330 7.923777 11.750872 6.576161 10.378690 3.572092 4.986967 0.000000 6.394857 6.379758 5.217468 6.323075 2.077534 3.309913 9.059229 9.798757 8.448923 9.754722 10.634337 9.465825 8.554909 7.573543 9.803544 8.043946 10.172453 9.365955 5.119515 3.957746 4.199795 2.628856 5.603510 1.088462 8.652247 10.340229 7.621359 10.672238 9.877710 11.625209 10.653191 8.625526 9.779742 10.612228 7.522551 11.207681 6.457105 9.872495 2.491374 5.827936 1.781982 0.000000 6.129130 5.744625 6.012209 6.525765 2.093143 2.739005 8.657146 9.463403 8.280026 9.424261 10.116985 9.079978 8.678861 7.882559 10.021354 8.608344 10.602808 9.960085 5.565671 4.191213 3.903654 3.200607 5.068308 1.090717 8.058995 10.161268 7.411426 10.423203 9.429923 11.150176 9.965114 8.135099 9.531369 10.723755 8.241358 11.668592 6.382289 10.608354 3.552356 5.034953 1.784319 1.782251 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.2057,-1.5635,-1.7908;.8754,-2.1021,.3195;1.3125,2.7119,-.0698;.0131,.8335,-.0894;4.5684,.1937,.3731;4.0215,-.9809,.0106;-2.3399,-1.6084,1.113;-2.9577,-1.8857,-.2215;-2.0588,-.1687,1.5578;-3.1625,-.9715,2.2029;-3.2144,-3.3122,-.6471;-2.1337,-2.5016,-1.327;-2.3074,.9826,.6402;-1.2561,1.4675,-.166;-3.5541,1.6078,.5317;-1.4641,2.5293,-1.0502;-3.7631,2.6739,-.3407;-2.7146,3.1336,-1.1355;1.2132,1.4814,-.046;2.4336,.647,.0464;2.7301,-.724,-.1872;3.663,1.1884,.4011;1.8752,-1.8588,-.6195;5.9915,.2707,.6789;-1.5967,-2.3375,1.4213;-3.6996,-1.1587,-.5358;-1.1595,-.0605,2.1575;-4.1898,-.7248,1.9593;-3.0116,-1.2914,3.2278;-4.1223,-3.5269,-1.2002;-2.9006,-4.1009,.0289;-1.1038,-2.7488,-1.1017;-2.3052,-2.1627,-2.3426;-4.3729,1.2622,1.1512;-.6475,2.8729,-1.6703;-4.7396,3.1423,-.3973;-.0005,-.1572,.1115;-2.8663,3.9568,-1.8248;3.9269,2.1995,.6654;2.4358,-2.7816,-.7606;6.5679,-.0484,-.1902;6.2368,1.3025,.9237;6.2186,-.3737,1.5291; 0.3617736 0.1686617 0.1322964 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= 642 RedAO= T EigKep= 1.58D-06 NBF= 642 NBsUse= 639 1.00D-06 EigRej= 9.36D-07 NBFU= 639 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= 664 664 664 664 664 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -1136.84604919408 -1136.84604919 1 1.132195395109e+03 -6.857602010704e+03 2.488031893847e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3773968486 LenY= 3773524264 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 4.3457 285.30 0.3359 0.000 87 88 0.69837 -1136.68634683 2 Singlet-A 4.6448 266.93 0.0704 0.000 83 88 0.12201 85 88 0.13969 86 88 0.61181 87 90 -0.23988 3 Singlet-A 4.9567 250.13 0.0160 0.000 81 88 0.21065 82 88 0.19324 83 88 0.40740 84 88 -0.28324 85 88 0.21121 86 91 0.10926 87 90 0.27354 4 Singlet-A 5.0893 243.62 0.1066 0.000 83 88 0.12201 85 88 0.26704 86 88 -0.30846 86 91 -0.13194 87 89 0.36603 87 90 -0.36353 5 Singlet-A 5.1628 240.15 0.0372 0.000 85 88 -0.14267 86 88 0.12396 87 89 0.58414 87 90 0.31485 6 Singlet-A 5.4552 227.28 0.0052 0.000 83 88 -0.15231 84 88 0.22284 85 88 0.45615 86 90 0.15975 86 91 0.11648 87 91 -0.40194 7 Singlet-A 5.4589 227.12 0.0566 0.000 84 88 0.33632 85 88 0.26235 86 90 -0.28424 87 90 0.23210 87 91 0.39536 8 Singlet-A 5.5420 223.72 0.2630 0.000 82 88 0.13035 83 88 0.34125 84 88 0.44928 85 88 -0.19057 86 89 -0.16696 86 90 0.24161 9 Singlet-A 5.6093 221.04 0.0370 0.000 81 88 -0.12967 83 88 0.10704 86 89 0.64593 86 90 0.12571 10 Singlet-A 5.7244 216.59 0.0061 0.000 86 90 0.15997 87 91 0.11320 87 92 0.59628 87 93 0.22915 87 96 0.14002 PT46857.700S 2022-09-18T17:13:06.000 -24.70287 -24.70042 -19.10179 -14.41622 -14.35747 -14.35414 -10.35095 -10.29627 -10.22773 -10.22667 -10.21971 -10.21224 -10.19887 -10.18823 -10.18059 -10.17888 -10.17400 -10.17324 -10.17273 -10.17250 -10.17164 -10.16721 -10.16314 -10.16096 -1.26643 -1.20937 -1.08155 -1.05307 -0.94788 -0.87874 -0.87469 -0.85355 -0.83503 -0.81736 -0.76088 -0.75505 -0.75025 -0.70333 -0.65806 -0.64517 -0.63295 -0.62039 -0.60360 -0.59427 -0.58393 -0.57918 -0.57123 -0.56159 -0.55719 -0.54907 -0.52955 -0.51045 -0.50090 -0.49506 -0.48963 -0.48595 -0.46893 -0.46320 -0.45080 -0.44844 -0.44100 -0.43720 -0.43500 -0.42711 -0.42301 -0.42083 -0.41759 -0.41094 -0.40313 -0.38646 -0.37965 -0.36869 -0.36018 -0.35984 -0.35423 -0.33973 -0.33675 -0.33292 -0.31152 -0.30579 -0.28518 -0.28343 -0.28063 -0.27118 -0.26602 -0.24436 -0.22886 -0.04677 -0.02083 -0.01500 -0.00487 0.00546 0.01244 0.01534 0.01924 0.02097 0.03126 0.03452 0.03711 0.04187 0.04311 0.04840 0.05056 0.05390 0.05687 0.06378 0.06491 0.06982 0.07279 0.07586 0.07935 0.08111 0.08272 0.08575 0.09091 0.09232 0.09818 0.10570 0.10967 0.11220 0.11359 0.11741 0.12078 0.12435 0.12948 0.13176 0.13254 0.13404 0.13954 0.14067 0.14669 0.15028 0.15264 0.15360 0.15875 0.16136 0.16443 0.16525 0.16735 0.16894 0.17048 0.17166 0.17672 0.17957 0.18385 0.18464 0.18729 0.19175 0.19373 0.19551 0.19592 0.19757 0.20137 0.20206 0.20436 0.20680 0.20894 0.21379 0.21872 0.21986 0.22201 0.22226 0.22847 0.23166 0.23390 0.23551 0.23713 0.23765 0.24296 0.24541 0.24717 0.25096 0.25416 0.25490 0.25687 0.26297 0.26638 0.26708 0.27269 0.27307 0.27515 0.27893 0.28172 0.28295 0.28791 0.29044 0.29244 0.29627 0.29834 0.30329 0.30783 0.30969 0.31291 0.31606 0.31693 0.32423 0.33017 0.33111 0.33367 0.33674 0.34501 0.34684 0.35049 0.35276 0.35469 0.35950 0.36666 0.36887 0.37226 0.37947 0.38537 0.38768 0.38872 0.39735 0.40201 0.40534 0.41424 0.41903 0.42438 0.43272 0.43784 0.43955 0.44500 0.45447 0.46240 0.46555 0.47378 0.48208 0.49015 0.49361 0.49645 0.50129 0.51722 0.51925 0.52652 0.53540 0.54246 0.54665 0.55481 0.55726 0.56208 0.56852 0.57204 0.57639 0.58439 0.59276 0.59582 0.60473 0.60601 0.61564 0.61809 0.62075 0.62174 0.62938 0.63239 0.64237 0.64808 0.65373 0.65929 0.66415 0.66574 0.67266 0.67817 0.68194 0.68282 0.68742 0.69727 0.70084 0.70804 0.71082 0.71181 0.71826 0.72187 0.72347 0.72915 0.73251 0.73756 0.73839 0.74691 0.74887 0.75266 0.75562 0.75842 0.76627 0.77323 0.77661 0.79131 0.79474 0.79827 0.80634 0.81334 0.81917 0.82577 0.82871 0.84899 0.85167 0.85184 0.85858 0.86228 0.87236 0.87853 0.88744 0.89673 0.90148 0.90641 0.91548 0.91892 0.92440 0.93764 0.95086 0.96362 0.96621 0.97189 0.98523 0.99467 0.99721 1.00031 1.01238 1.01591 1.02985 1.03840 1.05324 1.05985 1.06371 1.06923 1.07590 1.09005 1.09764 1.10862 1.11918 1.12307 1.13628 1.14923 1.15396 1.15634 1.18472 1.19335 1.20491 1.21399 1.23390 1.23656 1.24994 1.25768 1.27940 1.28867 1.29604 1.30543 1.31207 1.32693 1.33027 1.34275 1.35284 1.36075 1.37615 1.38595 1.39872 1.41313 1.42243 1.43331 1.44048 1.44814 1.45738 1.47055 1.47521 1.48943 1.49992 1.50562 1.50957 1.51535 1.51972 1.52711 1.53988 1.54418 1.55144 1.55459 1.56481 1.56658 1.57036 1.57510 1.57828 1.58542 1.59246 1.60018 1.60674 1.60946 1.61614 1.62325 1.62975 1.63709 1.64163 1.65052 1.65651 1.66853 1.67174 1.68283 1.68883 1.69458 1.70916 1.72853 1.73022 1.73091 1.74691 1.75441 1.76189 1.76335 1.76585 1.77702 1.78940 1.79315 1.79652 1.80551 1.81697 1.82380 1.84177 1.84414 1.84997 1.86582 1.87169 1.87947 1.88971 1.89802 1.90737 1.91969 1.92117 1.92959 1.93476 1.94244 1.94848 1.95446 1.97033 1.97887 1.98829 1.99728 2.00508 2.01058 2.01637 2.02935 2.03418 2.04306 2.04987 2.05525 2.06754 2.07322 2.07575 2.08654 2.09130 2.10685 2.13338 2.13723 2.14202 2.16913 2.17749 2.18505 2.19258 2.20496 2.22185 2.22414 2.24149 2.25337 2.27142 2.27602 2.28233 2.30952 2.32761 2.33022 2.34718 2.35807 2.36522 2.37780 2.39116 2.39803 2.41191 2.43618 2.43986 2.45143 2.46578 2.46944 2.47573 2.47936 2.49321 2.50444 2.51127 2.52549 2.53171 2.58059 2.58769 2.59403 2.60197 2.61164 2.63444 2.64195 2.65912 2.66382 2.66821 2.68218 2.69281 2.71331 2.71690 2.72282 2.73128 2.73316 2.74278 2.75723 2.76224 2.76816 2.77913 2.78627 2.78702 2.79831 2.80851 2.81086 2.82111 2.82256 2.84442 2.85530 2.86481 2.87036 2.88398 2.88796 2.89640 2.91097 2.91901 2.92708 2.93378 2.93910 2.94485 2.96077 2.96726 2.97426 2.98680 3.00152 3.00192 3.02015 3.02743 3.03037 3.03734 3.05880 3.06612 3.07787 3.09741 3.12554 3.16537 3.18750 3.19006 3.20431 3.23986 3.26315 3.29896 3.32961 3.35267 3.37004 3.38525 3.39360 3.41829 3.43368 3.46050 3.48825 3.51158 3.54571 3.55560 3.57675 3.58254 3.61678 3.62371 3.63557 3.68435 3.69108 3.72683 3.73074 3.75196 3.77611 3.77942 3.80047 3.82392 3.83247 3.85433 3.85874 3.88600 3.89942 3.93297 3.95086 4.00360 4.00895 4.02472 4.04639 4.06967 4.07434 4.10241 4.14028 4.16953 4.20551 4.21901 4.29742 4.36102 4.38021 4.43655 4.55321 4.60070 4.65392 4.77902 4.85362 4.88222 4.91799 4.98883 5.10247 5.11293 5.27979 5.43810 5.79508 6.37700 6.42319 6.44011 6.48927 6.60867 6.68111 23.63214 23.68212 23.76668 23.87132 23.88428 23.89529 23.92339 23.92916 23.94177 23.95275 23.96781 23.98853 24.01134 24.01360 24.07543 24.10068 24.10657 24.19584 35.50499 35.57272 35.66258 50.04033 66.77488 66.84002 1-A. Mulliken charges: 1 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.105360 -0.089783 -0.446472 0.045107 0.095561 -0.192972 0.097680 -0.100216 -0.882842 -0.529260 -0.354005 -0.450924 1.261841 -0.130006 -0.404217 0.013463 -0.489043 -0.177981 -0.562930 1.164241 -0.744329 0.062374 -0.282597 -0.298621 0.166471 0.169817 0.206669 0.158718 0.170758 0.162745 0.159178 0.166191 0.170974 0.148412 0.160717 0.155193 0.331756 0.158038 0.184324 0.247387 0.200640 0.182418 0.200884 -0.00000 4.2638 -2.4781 2.1387 5.3755 -94.2957 -151.8964 -140.2228 1.8221 6.5834 -3.1437 34.5092 -23.0914 -11.4178 1.8221 6.5834 -3.1437 248.0986 -62.3684 2.4216 6.5271 56.0660 37.4184 14.5532 -2.8307 -15.5940 18.3227 -5593.8054 -3151.6072 -893.0351 184.9947 217.7362 -116.9147 -56.1753 3.7722 -20.0547 -1677.2919 -1343.2755 -648.0846 41.9603 44.3551 7.3252 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-BELVIS26 APULGAR 2022-09-18T00:00:00.000 0 Electronic spectrum sedaxane_cis CONF11 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1136.8460492 RMSD=5.305e-09 PG=C01 [X(C18H19F2N3O1)] 0 1.6522262605 1.1524910437 1.7272944969 0 1.3204846462 1.8547218555 -0.3341038559 0 0.5582760412 -2.9293610361 -0.1148875898 0 -0.2218980927 -0.7898373279 0.0606424524 0 4.3037011624 -1.2825963072 -0.746137514 0 4.0968145974 -0.0272298408 -0.3085884793 0 -1.9631203374 2.2144069794 -0.8817654333 0 -2.3958254926 2.57375502 0.5050262716 0 -2.0854057778 0.7725727511 -1.3874276864 0 -2.9940491137 1.8540867833 -1.9197369361 0 -2.2546814506 3.9976620171 0.989277508 0 -1.3676598217 2.9126722785 1.5578818795 0 -2.5505820716 -0.3224309509 -0.4852571816 0 -1.6011403363 -1.0909376852 0.220707785 0 -3.9037019713 -0.6221396001 -0.2949739725 0 -2.0069570787 -2.1078373711 1.0887521053 0 -4.3124183767 -1.6424214397 0.5613990538 0 -3.3600983148 -2.3852890054 1.2568678814 0 0.7703855058 -1.7131370406 -0.0964384554 0 2.1519258181 -1.2052511233 -0.2627951692 0 2.7995642335 0.0363159697 -0.0155180778 0 3.1773396262 -2.0183162992 -0.7294097935 0 2.2903645694 1.3265317458 0.5150342864 0 5.6363933496 -1.6968547532 -1.1665883989 0 -1.0838970541 2.7493082504 -1.2280369867 0 -3.2728035135 2.0403077015 0.857216645 0 -1.2867238396 0.4722110494 -2.0597313854 0 -4.0305926908 1.8596366994 -1.6019053664 0 -2.8399008943 2.174074383 -2.9441193952 0 -3.0380279967 4.4053660608 1.6188357877 0 -1.8008103883 4.7143312337 0.3125149966 0 -0.3272119976 2.9061304287 1.2579907527 0 -1.5471164397 2.5798858024 2.5741676736 0 -4.6506012095 -0.0549923251 -0.837285123 0 -1.2616008266 -2.6725810015 1.6319519663 0 -5.3688788745 -1.8552578527 0.6826732051 0 0.0002272956 0.1813792306 -0.110918439 0 -3.6652556965 -3.1763129285 1.9328490079 0 3.1590973339 -3.0497634212 -1.0418700273 0 3.0736359263 2.0731857356 0.6364296438 0 6.3341845323 -1.5723113929 -0.3377424734 0 5.5963080705 -2.7445964059 -1.4587886346 0 5.958020289 -1.0901042753 -2.0139800312 Gaussian 16 18-Sep-2022 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 123 C1[X(C18H19F2N3O)] 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.6522,1.1525,1.7273;1.3205,1.8547,-.3341;.5583,-2.9294,-.1149;-.2219,-.7898,.0606;4.3037,-1.2826,-.7461;4.0968,-.0272,-.3086;-1.9631,2.2144,-.8818;-2.3958,2.5738,.505;-2.0854,.7726,-1.3874;-2.994,1.8541,-1.9197;-2.2547,3.9977,.9893;-1.3677,2.9127,1.5579;-2.5506,-.3224,-.4853;-1.6011,-1.0909,.2207;-3.9037,-.6221,-.295;-2.007,-2.1078,1.0888;-4.3124,-1.6424,.5614;-3.3601,-2.3853,1.2569;.7704,-1.7131,-.0964;2.1519,-1.2053,-.2628;2.7996,.0363,-.0155;3.1773,-2.0183,-.7294;2.2904,1.3265,.515;5.6364,-1.6969,-1.1666;-1.0839,2.7493,-1.228;-3.2728,2.0403,.8572;-1.2867,.4722,-2.0597;-4.0306,1.8596,-1.6019;-2.8399,2.1741,-2.9441;-3.038,4.4054,1.6188;-1.8008,4.7143,.3125;-.3272,2.9061,1.258;-1.5471,2.5799,2.5742;-4.6506,-.055,-.8373;-1.2616,-2.6726,1.632;-5.3689,-1.8553,.6827;.0002,.1814,-.1109;-3.6653,-3.1763,1.9328;3.1591,-3.0498,-1.0419;3.0736,2.0732,.6364;6.3342,-1.5723,-.3377;5.5963,-2.7446,-1.4588;5.958,-1.0901,-2.014; oldchk=/home/apulgar/almacen/pesticidas/gaussian_results/C2/sedaxane_cis/octano #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 sedaxane_cis CONF11 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 19 19 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 18.9984033 18.9984033 15.9949146 14.0030740 14.0030740 14.0030740 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 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 1 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 6.7500000 6.7500000 5.6000000 4.5500000 4.5500000 4.5500000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 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 (Enter /usr/local/gaussian/gaussian16/g16/l101.exe) 6-311+G(3df,2p) (5D, 7F) 0.10000e-02 0.10000e-05 F 1251 A 1107 A 1107 1601 1251 87 87 2100.5743763106 43 43 43 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 -0.0453811863 PCM SMD-Coulomb. Total charges None On-the-fly selection n-Octanol 9.862900 2.043470 0.000000 2.202849 0.000000 4.609976 4.849378 0.000000 3.172178 3.086821 2.284085 0.000000 4.367818 4.348806 4.139870 4.623284 0.000000 3.393018 3.354162 4.580518 4.401043 1.345435 0.000000 4.583186 3.348338 5.779610 3.597982 7.177777 6.486623 0.000000 4.461015 3.877126 6.276567 4.029540 7.830742 7.041411 1.496515 0.000000 4.880136 3.725671 4.723635 2.830317 6.742081 6.326407 1.532819 2.630969 0.000000 5.948189 4.596676 6.225582 4.312431 8.029525 7.511025 1.506662 2.599090 1.509523 0.000000 4.889130 4.373253 7.557484 5.283438 8.596812 7.630577 2.601117 1.510607 4.009811 3.688353 0.000000 3.499521 3.453258 6.374695 4.154885 7.421127 6.479754 2.606535 1.510131 3.710800 3.982409 1.512389 0.000000 4.973367 4.443872 4.074096 2.437056 6.926123 6.656293 2.633985 3.064719 1.493095 2.644168 4.574387 4.004949 0.000000 4.229323 4.185764 2.855784 1.420771 5.986541 5.820509 3.503110 3.760629 2.508642 3.898059 5.187645 4.227463 1.410826 0.000000 6.173105 5.781738 5.026425 3.702738 8.246285 8.022616 3.486571 3.623180 2.538677 3.098229 5.070615 4.728581 1.398916 2.405720 0.000000 4.942378 5.366401 2.950266 2.445520 6.623613 6.598297 4.750438 4.733842 3.799261 5.071706 6.111333 5.082745 2.441456 1.397238 2.778423 0.000000 6.689382 6.690406 5.083035 4.208327 8.722192 8.607027 4.740997 4.631701 3.819648 4.485499 6.018962 5.514840 2.437608 2.787693 1.393341 2.410366 0.000000 6.153096 6.512814 4.187050 3.718161 7.997611 7.976004 5.261416 5.107564 4.311523 5.310096 6.483488 5.668229 2.818812 2.417210 2.410895 1.391486 1.393715 0.000000 3.509340 3.617832 1.234719 1.364472 3.618258 3.735294 4.849164 5.363217 4.000119 5.497315 6.553094 5.357810 3.621335 2.472215 4.803830 3.045340 5.125685 4.398195 0.000000 3.125557 3.171721 2.352478 2.431506 2.206749 2.274296 5.386167 5.962590 4.809529 6.211768 6.932256 5.714861 4.789827 3.785809 6.083723 4.465159 6.531321 5.838174 1.481309 0.000000 2.366353 2.365539 3.718667 3.133299 2.129733 1.331460 5.308260 5.805311 5.127099 6.363670 6.499790 5.302336 5.382696 4.548923 6.741323 5.377681 7.330163 6.739776 2.680429 1.421995 0.000000 4.291315 4.313305 2.840270 3.699751 1.345457 2.233148 6.660592 7.326058 5.993208 7.382305 8.285695 7.085434 5.978689 4.959498 7.230435 5.494603 7.609465 6.842373 2.507432 1.389344 2.207684 0.000000 1.380973 1.393086 4.637840 3.316166 3.528686 2.402975 4.564154 4.849334 4.803499 5.842213 5.293136 4.121227 5.210991 4.590708 6.543691 5.530915 7.239722 6.801151 3.453089 2.652189 1.485068 3.677414 0.000000 5.689193 5.650999 5.330330 6.053788 1.457552 2.427780 8.551707 9.249267 8.110057 9.362743 9.967163 8.816305 8.329455 7.394161 9.639924 7.979741 10.097909 9.342588 4.982321 3.633185 3.518017 2.518215 4.812965 0.000000 4.332457 2.716699 6.015241 3.863844 6.746458 5.949313 1.085844 2.180707 2.221690 2.220034 2.801001 2.805094 3.484030 4.136894 4.493169 5.459983 5.736961 6.141656 4.963093 5.200075 4.889969 6.413814 4.055642 8.058191 0.000000 5.079485 4.748893 6.349785 4.237013 8.427091 7.742421 2.183950 1.085216 2.838220 2.797115 2.210260 2.209417 2.811827 3.606147 2.968872 4.343165 3.838073 4.444463 5.598677 6.419951 6.453782 7.784225 5.619200 9.870965 3.105201 0.000000 4.841671 3.418576 4.330951 2.687491 6.004809 5.683171 2.209154 3.496366 1.086325 2.200940 4.760483 4.364576 2.169738 2.782570 3.340740 4.133804 4.527342 4.843967 3.586358 4.226958 4.589833 5.282078 4.489415 7.309727 2.432699 3.861609 0.000000 6.624051 5.499216 6.797311 4.928482 8.947984 8.443203 2.217861 2.760723 2.238629 1.084191 3.799900 4.264311 2.863347 4.234389 2.807737 5.203421 4.125981 5.161544 6.170943 7.029245 7.245148 8.231285 6.687311 10.309644 3.100695 2.579567 3.108596 0.000000 6.560865 4.921684 6.752571 4.966619 8.234728 7.740141 2.241356 3.500508 2.226378 1.084211 4.374879 4.793854 3.515999 4.712851 3.996055 5.940759 5.387263 6.221470 6.021118 6.597551 6.704497 7.660826 6.245294 9.486373 2.521782 3.828244 2.467963 1.821581 0.000000 5.708892 5.414461 8.350893 6.111358 9.583684 8.617938 3.494100 2.237810 4.810644 4.362620 1.084527 2.240977 5.197776 5.850535 5.448658 6.615581 6.270405 6.807918 7.408256 7.871161 7.472429 9.241685 6.252149 10.965458 3.829600 2.495733 5.662917 4.223635 5.083156 0.000000 5.158660 4.282285 8.010867 5.731690 8.622584 7.592770 2.775297 2.230061 4.302123 3.819393 1.085183 2.232607 5.154374 5.809427 5.767939 6.869281 6.839475 7.329924 6.934741 7.141188 6.569237 8.437780 5.315629 9.929907 2.597803 3.100623 4.887476 4.097098 4.258906 1.825552 0.000000 2.685828 2.520938 6.059855 3.886504 6.557997 5.534508 2.780869 2.226340 3.826428 4.279809 2.231319 1.082825 4.290209 4.321505 5.258485 5.290563 6.087400 6.098977 4.937290 5.036107 4.431071 6.362532 3.146240 7.913953 2.603363 3.096252 4.225152 4.794704 4.950479 3.118724 2.516944 0.000000 3.604226 4.148137 6.481936 4.407839 7.757272 6.852831 3.500015 2.236446 4.387525 4.776565 2.241119 1.084338 4.334797 4.360807 4.902901 4.938893 5.433784 5.447490 5.561744 6.004876 5.663025 7.374115 4.531797 9.158962 3.834063 2.493404 5.097364 4.911822 5.682206 2.543198 3.120143 1.823986 0.000000 6.910913 6.289202 5.993017 4.578175 9.038520 8.763423 3.517770 3.714314 2.750954 2.749627 5.049829 5.032053 2.146049 3.389947 1.083336 3.861690 2.142572 3.388386 5.717114 6.922970 7.495906 8.071117 7.205164 10.422399 4.553918 3.026540 3.617733 2.152872 3.561759 5.341135 5.673605 5.643591 5.311517 0.000000 4.809434 5.570369 2.535614 2.663591 6.209666 6.283009 5.540177 5.484566 4.654502 6.008876 6.774318 5.586751 3.415736 2.146740 3.859799 1.081461 3.393346 2.151027 2.834931 4.170766 5.152217 5.070334 5.464144 7.507742 6.132536 5.182323 4.849626 6.218211 6.849929 7.297479 7.523173 5.668770 5.343940 4.943099 0.000000 7.709326 7.716565 6.076263 5.292774 9.794297 9.691421 5.532525 5.337299 4.687431 5.115818 6.636935 6.285611 3.414149 3.872138 2.150144 3.395764 1.084489 2.155419 6.190136 7.607820 8.413619 8.663626 8.295535 11.160684 6.573729 4.427124 5.440761 4.561880 5.982046 6.745716 7.485161 6.958463 6.152570 2.463159 4.294052 0.000000 2.655407 2.143121 3.160402 1.010957 4.589838 4.106655 2.929529 3.441499 2.515721 3.877559 4.567172 3.480800 2.626896 2.071990 3.990010 3.272386 4.730452 4.444144 2.045127 2.564297 2.804716 3.913468 2.635891 6.033951 3.002922 3.886596 2.353444 4.613795 4.479307 5.483166 4.895987 3.066822 3.918775 4.713140 3.574199 5.796980 0.000000 6.859768 7.436934 4.700259 4.588805 8.617854 8.671246 6.314996 6.059159 5.395726 6.371645 7.371971 6.518841 3.903124 3.397174 3.397625 2.145715 2.156970 1.084339 5.092524 6.522694 7.477367 7.433013 7.599686 9.915442 7.194970 5.340799 5.908455 6.163501 7.286472 7.614058 8.268247 6.970946 6.166979 4.288029 2.474236 2.492079 5.374649 0.000000 5.253368 5.285395 2.763705 4.213541 2.126136 3.248496 7.346716 8.054441 6.498806 7.917045 9.115962 7.924701 6.352055 5.300091 7.505621 5.667000 7.770111 6.944468 2.895920 2.241334 3.272086 1.077890 4.725527 2.825405 7.187969 8.419305 5.762436 8.723961 8.178937 10.052993 9.312154 7.274365 8.180289 8.366714 5.180170 8.782213 4.613612 7.445587 0.000000 2.014465 2.015738 5.649512 4.403292 3.832209 2.520258 5.262487 5.493892 5.692390 6.587776 5.676185 4.612908 6.215222 5.660215 7.537608 6.595299 8.268323 7.852126 4.492026 3.522258 2.156152 4.314703 1.088918 4.902224 4.606350 6.350364 5.370767 7.451564 6.913785 6.614879 5.553449 3.556108 5.036162 8.146460 6.504433 9.311867 3.685553 8.640058 5.391531 0.000000 5.797384 6.073035 5.937370 6.614620 2.091312 2.719182 9.136764 9.701196 8.802830 10.062746 10.322510 9.111909 8.973463 7.969502 10.281973 8.479170 10.684733 9.858135 5.570810 4.199004 3.896800 3.212163 5.048069 1.090600 8.631162 10.333110 8.076111 10.991132 10.246582 11.287125 10.301595 8.183948 9.372026 11.100330 7.923777 11.750872 6.576161 10.378690 3.572092 4.986967 0.000000 6.394857 6.379758 5.217468 6.323075 2.077534 3.309913 9.059229 9.798757 8.448923 9.754722 10.634337 9.465825 8.554909 7.573543 9.803544 8.043946 10.172453 9.365955 5.119515 3.957746 4.199795 2.628856 5.603510 1.088462 8.652247 10.340229 7.621359 10.672238 9.877710 11.625209 10.653191 8.625526 9.779742 10.612228 7.522551 11.207681 6.457105 9.872495 2.491374 5.827936 1.781982 0.000000 6.129130 5.744625 6.012209 6.525765 2.093143 2.739005 8.657146 9.463403 8.280026 9.424261 10.116985 9.079978 8.678861 7.882559 10.021354 8.608344 10.602808 9.960085 5.565671 4.191213 3.903654 3.200607 5.068308 1.090717 8.058995 10.161268 7.411426 10.423203 9.429923 11.150176 9.965114 8.135099 9.531369 10.723755 8.241358 11.668592 6.382289 10.608354 3.552356 5.034953 1.784319 1.782251 0.000000 C18H19F2N3O 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 0 312.20890639999976 AuxInfo=1/0/N:7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;1;2;4;5;6;3;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43/rA:43nF0F0O0N0N0N0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:1.2057,-1.5635,-1.7908;.8754,-2.1021,.3195;1.3125,2.7119,-.0698;.0131,.8335,-.0894;4.5684,.1937,.3731;4.0215,-.9809,.0106;-2.3399,-1.6084,1.113;-2.9577,-1.8857,-.2215;-2.0588,-.1687,1.5578;-3.1625,-.9715,2.2029;-3.2144,-3.3122,-.6471;-2.1337,-2.5016,-1.327;-2.3074,.9826,.6402;-1.2561,1.4675,-.166;-3.5541,1.6078,.5317;-1.4641,2.5293,-1.0502;-3.7631,2.6739,-.3407;-2.7146,3.1336,-1.1355;1.2132,1.4814,-.046;2.4336,.647,.0464;2.7301,-.724,-.1872;3.663,1.1884,.4011;1.8752,-1.8588,-.6195;5.9915,.2707,.6789;-1.5967,-2.3375,1.4213;-3.6996,-1.1587,-.5358;-1.1595,-.0605,2.1575;-4.1898,-.7248,1.9593;-3.0116,-1.2914,3.2278;-4.1223,-3.5269,-1.2002;-2.9006,-4.1009,.0289;-1.1038,-2.7488,-1.1017;-2.3052,-2.1627,-2.3426;-4.3729,1.2622,1.1512;-.6475,2.8729,-1.6703;-4.7396,3.1423,-.3973;-.0005,-.1572,.1115;-2.8663,3.9568,-1.8248;3.9269,2.1995,.6654;2.4358,-2.7816,-.7606;6.5679,-.0484,-.1902;6.2368,1.3025,.9237;6.2186,-.3737,1.5291; 0.3617736 0.1686617 0.1322964 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= 1107 RedAO= T EigKep= 1.52D-06 NBF= 1107 NBsUse= 1102 1.00D-06 EigRej= 9.64D-07 NBFU= 1102 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= 1229 1229 1229 1229 1229 MxSgAt= 43 MxSgA2= 43. 1 Closed 1 1 1 -1136.85152213630 -1136.92124309996 -0.069720963665 -1136.92130289254 -0.000059792579 -1136.92160965054 -0.000306757996 -1136.92163729035 -0.000027639814 -1136.92164115719 -0.000003866833 -1136.92164174658 -0.000000589395 -1136.92164177623 -0.000000029646 -1136.92164177717 -0.000000000939 -1136.92164177751 -0.000000000346 -1136.92164177743 0.000000000085 -1136.92164178 11 1.131839731666e+03 -6.857654449814e+03 2.488364403818e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 3774873600 LenX= 3771712170 LenY= 3770145918 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. PT41239.500S 2022-09-18T17:56:17.000 -24.70164 -24.69927 -19.10030 -14.41446 -14.35557 -14.35221 -10.34724 -10.29277 -10.22489 -10.22411 -10.21784 -10.21025 -10.19648 -10.18682 -10.17933 -10.17776 -10.17241 -10.17223 -10.17124 -10.17105 -10.17014 -10.16601 -10.16222 -10.16004 -1.26215 -1.20608 -1.07719 -1.04903 -0.94520 -0.87696 -0.87165 -0.85170 -0.83342 -0.81417 -0.75839 -0.75310 -0.74823 -0.70093 -0.65562 -0.64389 -0.63188 -0.61801 -0.60104 -0.59394 -0.58216 -0.57756 -0.56943 -0.55938 -0.55557 -0.54673 -0.52785 -0.50837 -0.50002 -0.49391 -0.48809 -0.48406 -0.46773 -0.46183 -0.44969 -0.44724 -0.43938 -0.43581 -0.43327 -0.42528 -0.42181 -0.41962 -0.41671 -0.40965 -0.40239 -0.38573 -0.37896 -0.36674 -0.35989 -0.35869 -0.35346 -0.33943 -0.33610 -0.33155 -0.31121 -0.30522 -0.28403 -0.28289 -0.27963 -0.27012 -0.26579 -0.24404 -0.22845 -0.04591 -0.01982 -0.01509 -0.00476 0.00411 0.01109 0.01424 0.01798 0.01988 0.02970 0.03345 0.03627 0.04059 0.04197 0.04702 0.04892 0.05265 0.05575 0.06281 0.06399 0.06878 0.07169 0.07482 0.07768 0.07937 0.08172 0.08516 0.08937 0.09085 0.09657 0.10385 0.10730 0.11027 0.11259 0.11552 0.11915 0.12210 0.12746 0.12970 0.13107 0.13170 0.13748 0.13839 0.14282 0.14827 0.14958 0.15083 0.15526 0.15748 0.16117 0.16144 0.16369 0.16533 0.16678 0.16837 0.17226 0.17556 0.17978 0.18139 0.18430 0.18522 0.18876 0.19016 0.19201 0.19298 0.19672 0.19867 0.19994 0.20203 0.20735 0.20771 0.21253 0.21510 0.21545 0.21771 0.22096 0.22352 0.22650 0.22954 0.23100 0.23301 0.23497 0.23800 0.24128 0.24365 0.24563 0.24770 0.25003 0.25523 0.25944 0.26037 0.26390 0.26605 0.26905 0.27150 0.27475 0.27728 0.27785 0.28103 0.28407 0.28673 0.29189 0.29347 0.29558 0.29867 0.30145 0.30425 0.30764 0.30786 0.31602 0.31826 0.32363 0.32579 0.32666 0.33300 0.33529 0.33760 0.34040 0.34569 0.35037 0.35342 0.35496 0.35840 0.36091 0.36661 0.37216 0.37296 0.37664 0.37920 0.38095 0.38245 0.38794 0.38879 0.39345 0.39918 0.40137 0.40605 0.41114 0.41259 0.41603 0.42212 0.43016 0.43141 0.43228 0.43765 0.44161 0.44590 0.45267 0.45519 0.45952 0.46102 0.46842 0.47524 0.47759 0.48105 0.48447 0.48860 0.49528 0.49841 0.50476 0.50701 0.51069 0.51369 0.51756 0.51927 0.52045 0.52540 0.52728 0.53305 0.53852 0.54327 0.54468 0.54964 0.55221 0.55395 0.55702 0.56288 0.56714 0.56987 0.57237 0.57660 0.57693 0.58078 0.58385 0.58537 0.58775 0.59041 0.59540 0.59566 0.60195 0.60583 0.60837 0.61154 0.61258 0.61588 0.61826 0.62156 0.62820 0.63144 0.63218 0.63515 0.63838 0.64428 0.64894 0.65155 0.65766 0.65895 0.66069 0.66492 0.67013 0.67072 0.67421 0.68016 0.68320 0.68672 0.69033 0.69424 0.69859 0.70051 0.70433 0.70657 0.71229 0.71440 0.71572 0.72241 0.72546 0.73079 0.73326 0.73926 0.74152 0.74670 0.74802 0.75569 0.75832 0.76109 0.76576 0.77626 0.77959 0.78171 0.78970 0.79320 0.79842 0.80603 0.81321 0.81947 0.82141 0.82919 0.83305 0.83741 0.84056 0.84388 0.84634 0.85069 0.85894 0.86388 0.86894 0.87255 0.88148 0.89052 0.89374 0.90029 0.90596 0.91536 0.92385 0.92866 0.93207 0.93838 0.94251 0.95002 0.95103 0.95975 0.96758 0.97057 0.97449 0.97529 0.99070 0.99419 0.99950 1.00696 1.00961 1.01391 1.02302 1.03135 1.03469 1.03962 1.04250 1.04870 1.05053 1.05327 1.06025 1.06667 1.07108 1.07785 1.08339 1.08786 1.09406 1.09515 1.10362 1.10957 1.11425 1.12079 1.12462 1.12858 1.13771 1.14174 1.14227 1.15106 1.15437 1.16072 1.17079 1.17286 1.17598 1.17972 1.18277 1.18799 1.19190 1.19721 1.20089 1.20398 1.20600 1.21342 1.21665 1.22160 1.22573 1.22766 1.23082 1.23767 1.24378 1.24738 1.25162 1.25605 1.25653 1.25894 1.26499 1.26822 1.27304 1.27618 1.28277 1.28539 1.29122 1.29449 1.29976 1.30247 1.30867 1.31539 1.32170 1.32519 1.33364 1.33698 1.33798 1.34212 1.34842 1.35201 1.35431 1.36256 1.36405 1.36524 1.37082 1.37700 1.38241 1.38722 1.38867 1.39792 1.39888 1.40009 1.40111 1.40475 1.41079 1.41667 1.42143 1.42372 1.42481 1.43284 1.43694 1.44398 1.44673 1.45345 1.45593 1.46154 1.46427 1.46761 1.47025 1.47765 1.47978 1.48237 1.48748 1.49537 1.50130 1.50266 1.50927 1.51597 1.52295 1.52484 1.53583 1.53767 1.54041 1.54580 1.55384 1.56380 1.57038 1.57600 1.57687 1.58357 1.59226 1.59299 1.59681 1.60204 1.60779 1.61626 1.62647 1.62932 1.63489 1.64489 1.65847 1.66352 1.66677 1.67555 1.68292 1.68490 1.69154 1.69541 1.70680 1.71106 1.72363 1.72986 1.74211 1.74555 1.75458 1.76286 1.76504 1.76931 1.77743 1.78733 1.79595 1.80265 1.81445 1.82614 1.83065 1.83558 1.84356 1.84650 1.85462 1.86470 1.87227 1.88622 1.89380 1.90034 1.91336 1.92650 1.93035 1.93846 1.94068 1.95263 1.95774 1.96773 1.97439 1.97877 1.98792 1.99206 2.00182 2.00605 2.01340 2.02151 2.03319 2.05419 2.06325 2.06566 2.06997 2.07749 2.08530 2.09097 2.09823 2.10562 2.11279 2.12914 2.13280 2.14667 2.15977 2.16198 2.17530 2.17904 2.19560 2.20685 2.20904 2.21296 2.23437 2.23631 2.24382 2.24938 2.26128 2.26468 2.26954 2.27385 2.29331 2.30149 2.30898 2.32043 2.33200 2.33664 2.33923 2.34665 2.36135 2.37304 2.38848 2.39420 2.39620 2.42215 2.43568 2.44171 2.45031 2.46342 2.47015 2.47731 2.49171 2.50656 2.51534 2.52315 2.53196 2.53317 2.54645 2.55538 2.57498 2.58882 2.61341 2.62399 2.65331 2.66465 2.67302 2.69416 2.69581 2.70387 2.70760 2.72137 2.73598 2.73823 2.74335 2.75920 2.77509 2.77932 2.78737 2.79330 2.80752 2.81522 2.82286 2.83111 2.84287 2.85111 2.86550 2.87288 2.87674 2.87836 2.87928 2.89507 2.90378 2.91226 2.91508 2.91750 2.92541 2.92859 2.93777 2.94325 2.94916 2.95271 2.96346 2.96988 2.97441 2.98224 2.98915 2.99283 3.00093 3.00591 3.01226 3.01934 3.02838 3.03465 3.03744 3.04300 3.05748 3.06317 3.07114 3.07570 3.08165 3.08747 3.09564 3.10867 3.11313 3.12416 3.12889 3.14277 3.14524 3.14696 3.17300 3.17635 3.18317 3.18422 3.19271 3.21052 3.21175 3.21680 3.22163 3.23116 3.23875 3.24084 3.25408 3.25505 3.26348 3.26917 3.27835 3.28324 3.29060 3.29189 3.30500 3.31147 3.31471 3.32314 3.33069 3.33488 3.34871 3.35332 3.36260 3.37174 3.37827 3.39699 3.40487 3.41482 3.41914 3.42329 3.43227 3.44066 3.44633 3.45142 3.45470 3.46518 3.46875 3.47823 3.49496 3.50447 3.50875 3.51121 3.51407 3.51753 3.52540 3.54042 3.55313 3.55938 3.56922 3.58291 3.58534 3.59015 3.59812 3.60317 3.60454 3.61205 3.62446 3.63313 3.64150 3.65228 3.65985 3.68263 3.68310 3.69403 3.70571 3.72126 3.72816 3.73491 3.74456 3.75513 3.75703 3.78075 3.78637 3.79245 3.80945 3.81810 3.82077 3.82256 3.83058 3.83733 3.84729 3.85645 3.89683 3.90871 3.91645 3.93415 3.94454 3.96195 3.96577 3.96791 3.97550 3.97924 3.99456 3.99782 4.00237 4.02687 4.03175 4.04086 4.04587 4.04994 4.06344 4.07503 4.08802 4.09666 4.11266 4.13432 4.14514 4.15910 4.16233 4.16575 4.18073 4.18530 4.19595 4.20594 4.21391 4.22435 4.23040 4.23721 4.25283 4.25641 4.27306 4.29109 4.29780 4.30322 4.30602 4.31852 4.32237 4.32408 4.33353 4.34536 4.35822 4.36080 4.36773 4.37121 4.38685 4.39824 4.40217 4.40754 4.42230 4.42690 4.44196 4.44491 4.45676 4.46596 4.47201 4.48222 4.49064 4.49516 4.50100 4.51093 4.51350 4.51454 4.52833 4.53668 4.54472 4.55476 4.56175 4.57830 4.58918 4.59413 4.61212 4.62295 4.62543 4.63296 4.66041 4.66526 4.66756 4.69257 4.69616 4.70998 4.71470 4.72997 4.73982 4.74092 4.75374 4.77035 4.77607 4.77946 4.79559 4.81070 4.81103 4.82480 4.82654 4.85075 4.85426 4.87486 4.88500 4.90076 4.91683 4.93127 4.93495 4.95310 4.96282 4.97639 4.97831 4.98428 5.02085 5.03902 5.07680 5.09504 5.12283 5.14432 5.15901 5.16658 5.17579 5.19064 5.22900 5.24262 5.24794 5.26434 5.28535 5.32849 5.35361 5.37542 5.39041 5.40230 5.41907 5.43249 5.44997 5.48925 5.53778 5.60410 5.61273 5.65063 5.65899 5.67526 5.68909 5.72887 5.74771 5.75963 5.76775 5.76949 5.78206 5.80142 5.81384 5.82740 5.83425 5.87172 5.89138 5.93880 5.98460 5.99687 6.05753 6.13820 6.17072 6.22042 6.28068 6.29350 6.38418 6.45309 6.51828 6.53555 6.60934 6.61338 6.61576 6.62398 6.62585 6.64420 6.64542 6.67790 6.71467 6.73961 6.75335 6.79132 6.83980 6.86601 6.89769 6.90231 6.95999 6.99976 7.09672 7.10585 7.14998 7.17563 7.18232 7.18960 7.19060 7.19761 7.20872 7.25679 7.27331 7.29551 7.30302 7.31622 7.32401 7.33392 7.33922 7.34148 7.36107 7.36692 7.37415 7.38474 7.39144 7.41940 7.42038 7.43820 7.44253 7.46146 7.47036 7.47510 7.48189 7.51033 7.52557 7.54092 7.57214 7.57711 7.57967 7.60026 7.62235 7.63302 7.65203 7.65788 7.67838 7.68956 7.69147 7.70274 7.72988 7.73878 7.75035 7.75924 7.81874 7.82206 7.87961 7.88130 7.89664 7.92498 7.93677 7.94278 7.94534 7.95625 7.96804 7.97403 7.99422 8.00433 8.00917 8.02265 8.04560 8.07938 8.08091 8.11064 8.13380 8.15391 8.19667 8.24493 8.28729 8.29814 8.34101 8.34575 8.35840 8.40347 8.44864 8.46141 8.49613 8.51340 8.53314 8.56172 8.64722 8.70887 8.83610 8.93313 8.93803 8.99075 9.07959 9.39251 10.16312 10.44221 10.47889 10.50640 10.57756 10.67506 10.77223 10.79975 10.85978 10.95594 11.02533 11.23540 11.39600 11.46011 12.19429 14.42984 14.49963 14.67683 14.85534 15.10675 19.32349 19.34425 19.37000 19.39818 19.42824 19.44102 19.46667 19.47739 19.69034 19.78393 24.12477 24.35933 24.37295 24.39642 24.46472 24.61934 24.66888 24.67709 24.70368 24.81338 24.96545 25.00992 25.13437 25.24043 25.36550 25.41701 25.46579 25.79003 36.13801 36.17846 36.24370 50.45311 67.02070 67.03090 1-A. Mulliken charges: 1 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 F F O N N N C C C C C C C C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H -0.409571 -0.382660 -0.895314 -0.851129 -0.445627 -0.714093 -0.013166 -0.032110 -0.179732 -0.325242 -0.305525 -0.574088 0.619705 0.192495 -0.265915 -0.039479 -0.356709 -0.247604 0.564176 0.395087 -0.103845 0.051321 1.038450 -0.055585 0.134420 0.150192 0.157785 0.169653 0.158141 0.160781 0.154850 0.205963 0.162696 0.147944 0.149797 0.151137 0.383347 0.151416 0.217960 0.191374 0.160575 0.167838 0.160291 -0.00000 4.1748 -2.5157 2.1163 5.3137 -95.0718 -151.6013 -139.7257 2.0121 6.3971 -2.9976 33.7278 -22.8017 -10.9261 2.0121 6.3971 -2.9976 246.5831 -62.4148 1.8780 6.6494 54.5344 37.0414 15.0809 -3.0291 -14.8891 17.7228 -5620.1460 -3147.4553 -891.9108 186.8462 212.7091 -113.3819 -53.6956 3.2679 -18.0760 -1678.7506 -1342.0677 -647.5427 41.3539 42.4618 7.1786 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) GINC-BELVIS26 APULGAR 2022-09-18T00:00:00.000 0 Single Point sedaxane_cis CONF11 octanol 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-1136.9216418 RMSD=5.208e-09 Dipole=1.7759525,0.5878827,-0.9332448 Quadrupole=20.7981021,-13.5195387,-7.2785634,-11.2532132,-7.7412305,-0.4359972 PG=C01 [X(C18H19F2N3O1)] 0 1.6522262605 1.1524910437 1.7272944969 0 1.3204846462 1.8547218555 -0.3341038559 0 0.5582760412 -2.9293610361 -0.1148875898 0 -0.2218980927 -0.7898373279 0.0606424524 0 4.3037011624 -1.2825963072 -0.746137514 0 4.0968145974 -0.0272298408 -0.3085884793 0 -1.9631203374 2.2144069794 -0.8817654333 0 -2.3958254926 2.57375502 0.5050262716 0 -2.0854057778 0.7725727511 -1.3874276864 0 -2.9940491137 1.8540867833 -1.9197369361 0 -2.2546814506 3.9976620171 0.989277508 0 -1.3676598217 2.9126722785 1.5578818795 0 -2.5505820716 -0.3224309509 -0.4852571816 0 -1.6011403363 -1.0909376852 0.220707785 0 -3.9037019713 -0.6221396001 -0.2949739725 0 -2.0069570787 -2.1078373711 1.0887521053 0 -4.3124183767 -1.6424214397 0.5613990538 0 -3.3600983148 -2.3852890054 1.2568678814 0 0.7703855058 -1.7131370406 -0.0964384554 0 2.1519258181 -1.2052511233 -0.2627951692 0 2.7995642335 0.0363159697 -0.0155180778 0 3.1773396262 -2.0183162992 -0.7294097935 0 2.2903645694 1.3265317458 0.5150342864 0 5.6363933496 -1.6968547532 -1.1665883989 0 -1.0838970541 2.7493082504 -1.2280369867 0 -3.2728035135 2.0403077015 0.857216645 0 -1.2867238396 0.4722110494 -2.0597313854 0 -4.0305926908 1.8596366994 -1.6019053664 0 -2.8399008943 2.174074383 -2.9441193952 0 -3.0380279967 4.4053660608 1.6188357877 0 -1.8008103883 4.7143312337 0.3125149966 0 -0.3272119976 2.9061304287 1.2579907527 0 -1.5471164397 2.5798858024 2.5741676736 0 -4.6506012095 -0.0549923251 -0.837285123 0 -1.2616008266 -2.6725810015 1.6319519663 0 -5.3688788745 -1.8552578527 0.6826732051 0 0.0002272956 0.1813792306 -0.110918439 0 -3.6652556965 -3.1763129285 1.9328490079 0 3.1590973339 -3.0497634212 -1.0418700273 0 3.0736359263 2.0731857356 0.6364296438 0 6.3341845323 -1.5723113929 -0.3377424734 0 5.5963080705 -2.7445964059 -1.4587886346 0 5.958020289 -1.0901042753 -2.0139800312