Gaussian 16 GINC-HAMILTON28 APULGAR Optimization Empenthrin_EZ CONF50 gas EM64L-G16RevC.01 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 46 46 75 75 596 (5D, 7F) 6-311+G(d,p) 132 132 C1[X(C18H26O2)] C1[X(C18H26O2)] RB3LYP 6-311+G(d,p) FOpt #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 248.19139999999987 0 1 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0547,-1.1694,-.3775;-.2774,-.0385,1.3974;1.6356,1.1103,-.8291;2.3715,.1639,.0733;1.0714,-.2737,-.5625;.9916,2.3295,-.2141;2.1474,1.3594,-2.2276;3.6292,-.5005,-.3174;-.1281,-.4604,.2813;4.738,-.6137,.4174;4.9108,-.0546,1.7971;5.9379,-1.3416,-.1123;-2.3387,-1.3126,.2492;-3.1942,-.1072,-.0695;-2.9119,-2.5559,-.2545;-3.6072,.0412,-1.5015;-3.4786,.7411,.9179;-4.2303,2.0295,.8315;-3.4184,-3.5715,-.6411;-3.2972,3.2259,1.0166;2.273,.4023,1.1265;1.1427,-.9638,-1.3963;.1148,2.6389,-.7875;.6779,2.172,.8147;1.6995,3.1604,-.2232;2.9408,2.1088,-2.2158;2.5487,.4647,-2.7008;1.3449,1.7338,-2.8655;3.6411,-.9536,-1.3046;4.0354,.4715,2.1698;5.148,-.8493,2.5086;5.7499,.645,1.8233;6.2031,-2.1829,.5332;5.7734,-1.7308,-1.1164;6.8133,-.6879,-.1451;-2.2136,-1.3979,1.3324;-4.285,-.7608,-1.7995;-4.1068,.9876,-1.6935;-2.7421,-.0148,-2.1644;-3.083,.5141,1.9039;-4.9935,2.0462,1.6148;-4.7662,2.1214,-.1137;-3.8584,-4.475,-.9885;-2.5524,3.2637,.2214;-3.8516,4.1646,1.0067;-2.7593,3.1659,1.9632; g16 /usr/local/gaussian/gaussian16/g16/l1.exe "/temporal/apulgar/opt-b3lyp-pople.com-6500920/Gau-2831441.inp" -scrdir="/temporal/apulgar/opt-b3lyp-pople.com-6500920/" chk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4//1 5/5=2,38=5/2 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=4,6=6,7=111,11=2,25=1,30=1,71=1,74=-5,124=31/1,2,3 4/5=5,16=3,69=1/1 5/5=2,38=5/2 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 Optimization Empenthrin_EZ CONF50 gas 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (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 1 2 3 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 10 10 11 11 11 12 12 12 13 13 13 14 14 15 16 16 16 17 17 18 18 18 19 20 20 20 9 13 9 4 5 6 7 5 8 21 9 22 23 24 25 26 27 28 10 29 11 12 30 31 32 33 34 35 14 15 36 16 17 19 37 38 39 18 40 20 41 42 43 44 45 46 1.3398 1.4359 1.2026 1.5006 1.5182 1.5097 1.5099 1.5119 1.4751 1.0843 1.4784 1.0847 1.0923 1.0871 1.0916 1.0915 1.0889 1.0913 1.3351 1.0862 1.4986 1.5001 1.0873 1.0927 1.0928 1.093 1.0894 1.093 1.5122 1.4588 1.0937 1.4977 1.3324 1.1989 1.0915 1.0873 1.0913 1.4941 1.0865 1.5285 1.0938 1.0904 1.0634 1.0902 1.0902 1.0904 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 9 4 4 5 5 6 3 3 5 5 8 3 3 4 4 9 3 3 3 23 23 24 3 3 3 26 26 27 4 4 10 1 1 2 8 8 11 10 10 10 30 30 31 10 10 10 33 33 34 1 1 1 14 14 15 13 13 16 14 14 14 37 37 38 14 14 18 17 17 17 20 20 41 18 18 18 44 44 45 1 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 20 20 20 20 20 20 13 6 7 6 7 7 8 21 8 21 21 9 22 9 22 22 23 24 25 24 25 25 26 27 28 27 28 28 10 29 29 2 5 5 11 12 12 30 31 32 31 32 32 33 34 35 34 35 35 14 15 36 15 36 36 16 17 17 37 38 39 38 39 39 18 40 40 20 41 42 41 42 42 44 45 46 45 46 46 117.1689 118.265 119.6595 120.4064 116.0431 112.8696 122.8847 113.6339 119.4325 113.1991 115.7086 121.1244 114.8697 119.6208 116.8006 114.3092 110.9318 113.0568 109.5533 107.8287 107.4943 107.7734 110.464 113.0728 110.4129 107.5156 107.7778 107.391 126.907 115.9725 117.1159 123.7883 110.3264 125.8834 124.8116 120.7399 114.4485 113.7858 110.6804 110.4548 107.6664 107.4715 106.4544 111.0387 112.2114 111.1598 107.8168 106.4876 107.8762 109.5378 106.6005 109.7412 112.5993 109.6063 108.6911 115.8817 118.1722 125.9113 111.0674 112.4471 110.9251 107.8159 106.7746 107.56 127.849 117.5003 114.5715 111.1507 108.8376 111.7175 109.1041 109.8107 106.0578 110.8447 111.2495 111.2982 108.1151 107.3438 107.8251 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A80 A81 A82 A83 13 15 13 15 15 19 15 19 19 43 19 43 37 37 37 37 -1 -1 -2 -2 179.69 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 180.2129 182.1649 179.3798 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 13 13 9 9 9 6 6 7 7 6 6 7 7 4 4 4 5 5 5 7 7 7 4 4 4 5 5 5 6 6 6 8 8 21 21 3 3 5 5 21 21 3 3 4 4 22 22 4 4 29 29 8 8 8 12 12 12 8 8 8 11 11 11 1 1 15 15 36 36 13 13 13 17 17 17 13 13 16 16 14 14 14 40 40 40 17 17 17 41 41 41 42 42 42 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 9 9 13 13 13 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 5 5 5 5 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 14 14 14 14 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 20 20 20 20 20 20 20 20 20 2 5 14 15 36 8 21 8 21 9 22 9 22 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 9 22 9 22 10 29 10 29 10 29 1 2 1 2 1 2 11 12 11 12 30 31 32 30 31 32 33 34 35 33 34 35 16 17 16 17 16 17 37 38 39 37 38 39 18 40 18 40 20 41 42 20 41 42 44 45 46 44 45 46 44 45 46 6.2284 -173.3124 84.5515 -153.3558 -35.8221 -141.4213 6.4424 3.0617 150.9254 1.0508 145.1403 -140.9768 3.1127 -150.8965 -29.6264 90.5878 -80.8056 40.4645 160.6787 62.3265 -176.4034 -56.1892 -82.7306 37.8088 158.1518 -151.6286 -31.0893 89.2537 63.536 -175.9247 -55.5817 135.8434 -9.0159 -5.7581 -150.6175 133.9201 -46.8934 -154.0198 25.1667 -13.3378 165.8486 126.1442 -53.3848 -163.8156 16.6554 -18.1304 162.3406 -0.9119 179.0307 179.9098 -0.1476 -0.1162 121.2739 -121.0852 179.938 -58.6719 58.9689 -120.5947 0.1466 121.0496 59.3536 -179.9051 -59.0021 67.3439 -110.6405 -51.0855 130.9301 -172.2003 9.8153 66.5767 -172.4994 -52.005 -115.6173 5.3066 125.801 176.1615 -0.4066 -1.5993 -178.1674 -108.7221 131.0942 14.32 67.9308 -52.253 -169.0272 62.6745 -176.9917 -56.7188 -177.2997 -56.9659 63.3069 -61.4562 58.8776 179.1504 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 616 A 596 A 928 616 1548.2903924279 46 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= 596 RedAO= T EigKep= 1.65D-06 NBF= 596 NBsUse= 595 1.00D-06 EigRej= 2.98D-07 NBFU= 595 Berny optimization. local minimum Step number 18 out of a maximum of 233 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00070 0.00171 0.00365 0.00391 0.00621 0.00755 0.00766 0.00790 0.00802 0.01057 0.01177 0.01368 0.01390 0.01729 0.01853 0.02064 0.02073 0.02452 0.02455 0.02933 0.02953 0.02964 0.03140 0.03398 0.04248 0.04316 0.04860 0.05274 0.05518 0.05531 0.05542 0.05588 0.05591 0.05842 0.05922 0.06642 0.06906 0.07057 0.07064 0.07098 0.07309 0.07404 0.07406 0.08294 0.08977 0.09269 0.09947 0.10671 0.12158 0.12347 0.12769 0.14991 0.15959 0.15977 0.15994 0.15997 0.15998 0.16000 0.16000 0.16000 0.16000 0.16000 0.16000 0.16001 0.16002 0.16009 0.16016 0.16020 0.16031 0.16040 0.16142 0.16531 0.18202 0.18870 0.19214 0.21715 0.22069 0.22404 0.22953 0.23183 0.24418 0.24876 0.24990 0.25019 0.25306 0.26298 0.28515 0.29443 0.29765 0.30944 0.31573 0.31785 0.32447 0.32569 0.32643 0.32849 0.33187 0.34303 0.34398 0.34464 0.34477 0.34477 0.34498 0.34524 0.34560 0.34639 0.34655 0.34670 0.34690 0.34718 0.34767 0.34791 0.34805 0.34869 0.34941 0.35025 0.35143 0.35222 0.35244 0.35357 0.35410 0.35484 0.35667 0.36805 0.38197 0.38843 0.41587 0.53497 0.58908 0.60606 1.03099 1.05960 -1.24641294e-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 A80 A81 A82 A83 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 2.56787 2.77295 2.28818 2.85798 2.89881 2.86819 2.86867 2.88941 2.79419 2.04781 2.79647 2.04702 2.06972 2.05840 2.06862 2.06869 2.06134 2.06799 2.53385 2.05431 2.84811 2.85064 2.05870 2.07166 2.07190 2.07233 2.06378 2.07236 2.87195 2.75801 2.06253 2.84431 2.52736 2.27002 2.06827 2.05846 2.06784 2.83715 2.05654 2.90967 2.07259 2.06426 2.00830 2.06620 2.06651 2.06682 2.02759 2.05881 2.09451 2.09193 2.02567 1.97398 2.15652 1.97276 2.09205 1.95185 2.02660 2.10825 2.01469 2.07562 2.05173 1.99352 1.93012 1.95911 1.91114 1.88603 1.88147 1.89395 1.92291 1.97007 1.92131 1.88198 1.88392 1.88100 2.21678 2.01977 2.04662 2.15787 1.92533 2.19990 2.17966 2.10942 1.99410 1.98382 1.92516 1.92441 1.88325 1.88308 1.85927 1.93349 1.95729 1.93440 1.88750 1.85965 1.88796 1.89706 1.86721 1.88283 1.98797 1.91559 1.90987 2.01514 2.06102 2.20560 1.93281 1.96264 1.91940 1.89148 1.86518 1.88916 2.23190 2.04868 2.00091 1.94469 1.89782 1.94520 1.90139 1.91558 1.85651 1.93172 1.93871 1.93783 1.89080 1.87625 1.88643 3.12872 3.14991 3.17519 3.13639 0.10718 -3.02080 1.52401 -2.60532 -0.55209 -2.47127 0.12701 0.06009 2.65837 0.00569 2.52447 -2.46680 0.05198 -2.67303 -0.56532 1.53933 -1.45243 0.65528 2.75993 1.03841 -3.13705 -1.03241 -1.45360 0.65131 2.75385 -2.66098 -0.55607 1.54647 1.10528 -3.07299 -0.97045 2.36227 -0.16475 -0.09822 -2.62523 2.45778 -0.69048 -2.55814 0.57679 -0.12537 3.00955 2.22534 -0.90223 -2.84697 0.30865 -0.30042 2.85519 -0.00441 3.13637 -3.13924 0.00154 0.00142 2.11905 -2.11544 -3.13940 -1.02177 1.02693 -2.10843 0.00229 2.11423 1.03243 -3.14004 -1.02810 1.17163 -1.91626 -0.90809 2.28720 -3.05615 0.13915 1.17430 -2.98986 -0.88325 -2.02614 0.09289 2.19949 3.06924 -0.00612 -0.01212 -3.08749 -1.91259 2.27470 0.23373 1.16430 -0.93159 -2.97257 1.09244 -3.08959 -0.98986 -3.09696 -0.99580 1.10393 -1.07072 1.03044 3.13017 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -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 -0.00004 0.00004 0.00001 -0.00000 -0.00002 -0.00001 0.00001 -0.00001 0.00001 0.00000 0.00003 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00002 -0.00000 0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00002 0.00002 0.00000 -0.00001 -0.00000 0.00001 0.00002 0.00001 -0.00002 -0.00001 0.00001 -0.00001 0.00001 -0.00000 0.00001 -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 -0.00001 0.00001 0.00001 -0.00002 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 -0.00003 -0.00001 -0.00001 0.00004 0.00001 0.00001 0.00002 -0.00001 -0.00002 0.00000 -0.00000 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 -0.00000 0.00000 -0.00007 -0.00005 0.00011 0.00013 0.00013 0.00004 0.00002 0.00000 -0.00002 -0.00001 -0.00001 -0.00003 -0.00004 -0.00009 -0.00009 -0.00010 -0.00008 -0.00007 -0.00008 -0.00005 -0.00004 -0.00005 0.00016 0.00016 0.00016 0.00017 0.00017 0.00017 0.00013 0.00013 0.00013 0.00002 0.00002 0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00001 0.00001 0.00002 -0.00002 -0.00000 -0.00002 -0.00000 -0.00001 0.00000 -0.00001 -0.00000 -0.00002 -0.00001 0.00005 0.00005 0.00005 0.00004 0.00005 0.00005 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00011 0.00016 0.00013 0.00017 0.00009 0.00013 -0.00002 -0.00002 -0.00002 -0.00007 -0.00006 -0.00007 -0.00008 -0.00004 -0.00003 0.00000 0.00021 0.00020 0.00020 0.00017 0.00017 0.00017 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 -0.00002 0.00000 0.00001 0.00002 0.00001 -0.00001 -0.00001 -0.00001 0.00000 -0.00002 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00002 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00004 -0.00001 0.00000 -0.00002 0.00001 0.00001 -0.00002 -0.00000 -0.00001 -0.00000 0.00002 0.00001 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00002 0.00001 0.00002 -0.00000 -0.00000 0.00000 -0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00001 0.00001 0.00001 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00002 0.00001 0.00001 -0.00002 -0.00001 -0.00000 -0.00002 0.00000 0.00002 -0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00001 0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00006 0.00005 -0.00009 -0.00010 -0.00009 -0.00002 -0.00002 -0.00001 -0.00001 0.00002 0.00001 0.00000 -0.00001 0.00008 0.00008 0.00009 0.00006 0.00006 0.00007 0.00007 0.00007 0.00008 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 -0.00002 0.00001 0.00001 -0.00001 -0.00000 -0.00013 -0.00012 -0.00013 -0.00013 -0.00012 -0.00012 -0.00003 -0.00004 -0.00002 -0.00003 -0.00002 -0.00003 0.00002 0.00001 0.00002 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00002 0.00001 0.00001 0.00001 -0.00001 -0.00005 -0.00002 -0.00007 0.00000 -0.00004 -0.00006 -0.00006 -0.00006 -0.00002 -0.00001 -0.00001 0.00006 0.00005 0.00001 0.00000 0.00014 0.00014 0.00013 0.00015 0.00015 0.00014 -0.00001 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 0.00000 0.00001 -0.00002 0.00002 0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00002 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -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 0.00002 0.00000 -0.00002 0.00001 0.00001 0.00001 -0.00002 0.00001 0.00001 0.00000 0.00000 -0.00000 0.00001 -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 -0.00002 0.00001 0.00001 0.00001 0.00001 -0.00002 -0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00002 -0.00000 -0.00000 0.00001 -0.00000 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 0.00003 0.00003 0.00004 0.00002 0.00000 -0.00001 -0.00002 0.00001 -0.00001 -0.00003 -0.00005 -0.00001 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 0.00003 0.00002 0.00003 0.00014 0.00014 0.00014 0.00015 0.00015 0.00015 0.00011 0.00011 0.00011 0.00002 0.00003 0.00000 0.00001 -0.00013 -0.00012 -0.00013 -0.00012 -0.00011 -0.00010 -0.00004 -0.00004 -0.00004 -0.00003 -0.00004 -0.00003 0.00002 0.00001 0.00000 0.00000 0.00006 0.00006 0.00006 0.00006 0.00006 0.00007 0.00003 0.00003 0.00003 0.00003 0.00003 0.00003 0.00010 0.00010 0.00010 0.00011 0.00009 0.00009 -0.00008 -0.00008 -0.00008 -0.00008 -0.00008 -0.00008 -0.00003 0.00000 -0.00003 0.00000 0.00034 0.00034 0.00033 0.00031 0.00031 0.00030 0.00001 0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00002 2.56785 2.77297 2.28819 2.85799 2.89880 2.86819 2.86867 2.88939 2.79419 2.04781 2.79648 2.04702 2.06972 2.05840 2.06862 2.06869 2.06134 2.06799 2.53385 2.05431 2.84811 2.85064 2.05871 2.07166 2.07190 2.07233 2.06378 2.07236 2.87195 2.75801 2.06253 2.84431 2.52736 2.27002 2.06827 2.05846 2.06784 2.83716 2.05653 2.90967 2.07258 2.06426 2.00830 2.06620 2.06651 2.06682 2.02761 2.05881 2.09449 2.09194 2.02568 1.97398 2.15651 1.97277 2.09206 1.95186 2.02660 2.10824 2.01470 2.07562 2.05174 1.99351 1.93012 1.95910 1.91114 1.88603 1.88147 1.89395 1.92291 1.97007 1.92131 1.88199 1.88392 1.88101 2.21676 2.01977 2.04664 2.15788 1.92534 2.19988 2.17965 2.10943 1.99410 1.98381 1.92516 1.92441 1.88326 1.88308 1.85927 1.93349 1.95730 1.93439 1.88750 1.85965 1.88796 1.89704 1.86721 1.88282 1.98798 1.91559 1.90987 2.01513 2.06102 2.20560 1.93281 1.96264 1.91940 1.89148 1.86518 1.88916 2.23189 2.04868 2.00092 1.94467 1.89783 1.94520 1.90139 1.91558 1.85651 1.93172 1.93871 1.93783 1.89081 1.87625 1.88643 3.12872 3.14991 3.17519 3.13639 0.10717 -3.02080 1.52404 -2.60528 -0.55205 -2.47125 0.12702 0.06008 2.65835 0.00570 2.52446 -2.46683 0.05193 -2.67304 -0.56533 1.53932 -1.45245 0.65527 2.75991 1.03844 -3.13703 -1.03239 -1.45346 0.65146 2.75399 -2.66083 -0.55592 1.54662 1.10540 -3.07287 -0.97033 2.36229 -0.16472 -0.09821 -2.62522 2.45765 -0.69060 -2.55827 0.57666 -0.12548 3.00945 2.22529 -0.90227 -2.84700 0.30861 -0.30045 2.85516 -0.00439 3.13638 -3.13923 0.00154 0.00148 2.11912 -2.11537 -3.13934 -1.02170 1.02699 -2.10840 0.00232 2.11427 1.03246 -3.14001 -1.02806 1.17173 -1.91616 -0.90799 2.28731 -3.05606 0.13924 1.17421 -2.98993 -0.88333 -2.02623 0.09281 2.19941 3.06922 -0.00612 -0.01215 -3.08749 -1.91225 2.27504 0.23406 1.16462 -0.93127 -2.97226 1.09245 -3.08958 -0.98985 -3.09695 -0.99579 1.10395 -1.07071 1.03045 3.13019 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000001 0.001270 0.000228 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.056275e-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 1 2 3 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 10 10 11 11 11 12 12 12 13 13 13 14 14 15 16 16 16 17 17 18 18 18 19 20 20 20 9 13 9 4 5 6 7 5 8 21 9 22 23 24 25 26 27 28 10 29 11 12 30 31 32 33 34 35 14 15 36 16 17 19 37 38 39 18 40 20 41 42 43 44 45 46 1.3589 1.4674 1.2109 1.5124 1.534 1.5178 1.518 1.529 1.4786 1.0837 1.4798 1.0832 1.0953 1.0893 1.0947 1.0947 1.0908 1.0943 1.3409 1.0871 1.5072 1.5085 1.0894 1.0963 1.0964 1.0966 1.0921 1.0966 1.5198 1.4595 1.0914 1.5051 1.3374 1.2012 1.0945 1.0893 1.0943 1.5014 1.0883 1.5397 1.0968 1.0924 1.0627 1.0934 1.0936 1.0937 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 9 4 4 5 5 6 3 3 5 5 8 3 3 4 4 9 3 3 3 23 23 24 3 3 3 26 26 27 4 4 10 1 1 2 8 8 11 10 10 10 30 30 31 10 10 10 33 33 34 1 1 1 14 14 15 13 13 16 14 14 14 37 37 38 14 14 18 17 17 17 20 20 41 18 18 18 44 44 45 1 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 20 20 20 20 20 20 13 6 7 6 7 7 8 21 8 21 21 9 22 9 22 22 23 24 25 24 25 25 26 27 28 27 28 28 10 29 29 2 5 5 11 12 12 30 31 32 31 32 32 33 34 35 34 35 35 14 15 36 15 36 36 16 17 17 37 38 39 38 39 39 18 40 40 20 41 42 41 42 42 44 45 46 45 46 46 116.1722 117.9611 120.0067 119.859 116.0624 113.1006 123.5597 113.0309 119.8655 111.833 116.1158 120.7937 115.4332 118.924 117.5555 114.2203 110.5877 112.2485 109.5004 108.0616 107.8003 108.5154 110.1746 112.8769 110.0832 107.8298 107.9406 107.7736 127.012 115.724 117.263 123.6367 110.3133 126.0448 124.8856 120.8611 114.2533 113.6643 110.3038 110.2606 107.9025 107.8925 106.5282 110.7806 112.1447 110.8327 108.1459 106.5501 108.172 108.6935 106.9831 107.878 113.9021 109.7551 109.4274 115.4587 118.088 126.3715 110.7418 112.4509 109.9735 108.3737 106.8671 108.2408 127.8783 117.3809 114.6439 111.4223 108.7372 111.4515 108.9418 109.7549 106.3699 110.6796 111.0797 111.0296 108.335 107.501 108.0844 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A80 A81 A82 13 15 13 15 19 15 19 43 19 37 37 37 -1 -1 -2 179.2626 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 180.4765 181.9248 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 13 13 9 9 9 6 6 7 7 6 6 7 7 4 4 4 5 5 5 7 7 7 4 4 4 5 5 5 6 6 6 8 8 21 21 3 3 5 5 21 21 3 3 4 4 22 22 4 4 29 29 8 8 8 12 12 12 8 8 8 11 11 11 1 1 15 15 36 36 13 13 13 17 17 17 13 13 16 16 14 14 14 40 40 40 17 17 17 41 41 41 42 42 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 18 18 18 18 18 18 18 18 9 9 13 13 13 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 5 5 5 5 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 14 14 14 14 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 20 20 20 20 20 20 20 20 2 5 14 15 36 8 21 8 21 9 22 9 22 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 9 22 9 22 10 29 10 29 10 29 1 2 1 2 1 2 11 12 11 12 30 31 32 30 31 32 33 34 35 33 34 35 16 17 16 17 16 17 37 38 39 37 38 39 18 40 18 40 20 41 42 20 41 42 44 45 46 44 45 46 44 45 6.1409 -173.0789 87.3194 -149.2738 -31.6322 -141.5933 7.2772 3.4429 152.3135 0.3263 144.6415 -141.3371 2.978 -153.1536 -32.3902 88.197 -83.2184 37.545 158.1322 59.4966 -179.74 -59.1528 -83.2853 37.3176 157.7842 -152.4631 -31.8603 88.6064 63.328 -176.0691 -55.6024 135.3482 -9.4392 -5.6274 -150.4148 140.8205 -39.5618 -146.5703 33.0474 -7.1833 172.4344 127.5025 -51.6942 -163.1192 17.6841 -17.2127 163.5906 -0.2524 179.7006 -179.865 0.088 0.0812 121.4129 -121.2056 -179.8745 -58.5429 58.8386 -120.8041 0.1314 121.1367 59.1537 -179.9109 -58.9055 67.1292 -109.7938 -52.0298 131.0472 -175.1042 7.9727 67.2822 -171.3061 -50.6066 -116.0894 5.3223 126.0217 175.8546 -0.3509 -0.6947 -176.9002 -109.5833 130.3308 13.3915 66.7098 -53.3761 -170.3155 62.5921 -177.0204 -56.7147 -177.4428 -57.0552 63.2504 -61.3479 59.0396 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0445665298 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0547,-1.1694,-.3775;-.2774,-.0385,1.3974;1.6356,1.1103,-.8291;2.3715,.1639,.0733;1.0714,-.2737,-.5625;.9916,2.3295,-.2141;2.1474,1.3594,-2.2276;3.6292,-.5005,-.3174;-.1281,-.4604,.2813;4.738,-.6137,.4174;4.9108,-.0546,1.7971;5.9379,-1.3416,-.1123;-2.3387,-1.3126,.2492;-3.1942,-.1072,-.0695;-2.9119,-2.5559,-.2545;-3.6072,.0412,-1.5015;-3.4786,.7411,.9178;-4.2303,2.0295,.8315;-3.4184,-3.5715,-.6411;-3.2972,3.2259,1.0166;2.273,.4023,1.1265;1.1427,-.9638,-1.3963;.1148,2.6389,-.7875;.6779,2.172,.8147;1.6995,3.1604,-.2232;2.9408,2.1088,-2.2158;2.5487,.4647,-2.7008;1.3449,1.7338,-2.8655;3.6411,-.9536,-1.3046;4.0354,.4715,2.1698;5.148,-.8493,2.5086;5.7499,.645,1.8233;6.2031,-2.1829,.5332;5.7734,-1.7309,-1.1164;6.8133,-.6879,-.1451;-2.2136,-1.3979,1.3324;-4.285,-.7607,-1.7995;-4.1068,.9876,-1.6935;-2.7421,-.0148,-2.1644;-3.083,.5141,1.9039;-4.9935,2.0462,1.6148;-4.7662,2.1215,-.1137;-3.8584,-4.475,-.9885;-2.5524,3.2637,.2214;-3.8515,4.1646,1.0067;-2.7593,3.1659,1.9632; 0.000000 2.243516 0.000000 3.555058 3.152243 0.000000 3.703996 2.968327 1.500565 0.000000 2.314481 2.390779 1.518152 1.511921 0.000000 4.056609 3.132845 1.509738 2.583916 2.627585 0.000000 4.480063 4.579790 1.509896 2.602655 2.568536 2.516131 0.000000 4.731724 4.291309 2.613624 1.475054 2.579436 3.869937 3.050253 0.000000 1.339827 1.202557 2.609713 2.584761 1.478370 3.046750 3.844989 3.804848 0.000000 5.873314 5.142519 3.761810 2.514627 3.810467 4.805912 4.195359 1.335060 4.870407 0.000000 6.446566 5.203586 4.356727 3.076865 4.511789 5.008894 5.082748 2.512487 5.277564 1.498614 0.000000 6.999732 6.527424 5.003598 3.875583 5.002588 6.160632 5.112613 2.465740 6.142282 1.500063 2.521275 0.000000 1.435934 2.681553 4.777874 4.939324 3.656096 4.956862 5.779193 6.049426 2.369390 7.113101 7.518863 8.284523 0.000000 2.408504 3.265670 5.038510 5.574195 4.297297 4.845593 5.944857 6.839230 3.106313 7.963314 8.317370 9.215314 1.512166 0.000000 2.320957 4.000861 5.869482 5.951403 4.601119 6.253481 6.694709 6.856669 3.525300 7.921159 8.465222 8.933863 1.458777 2.471857 0.000000 3.040458 4.415604 5.392732 6.183845 4.782299 5.295494 5.948085 7.352567 3.941325 8.587989 9.134869 9.744296 2.550894 1.497722 2.963708 0.000000 3.347161 3.329532 5.416955 5.938925 4.891246 4.877235 6.475192 7.320412 3.615963 8.342621 8.472840 9.698989 2.442227 1.332414 3.544837 2.521795 0.000000 4.666829 4.496940 6.165357 6.902167 5.946137 5.334058 7.105101 8.336236 4.830209 9.358910 9.425295 10.753995 3.884223 2.539823 4.893199 3.127993 1.494111 0.000000 3.380336 5.148162 6.891804 6.927218 5.571364 7.379138 7.603176 7.694373 4.621210 8.740474 9.364216 9.632885 2.657221 3.518253 1.198911 3.718534 4.586099 5.847943 0.000000 5.127497 4.463256 5.675830 6.511568 5.815997 4.551086 6.606991 7.977525 4.916633 8.925618 8.873706 10.364577 4.701718 3.507122 5.932420 4.071738 2.493373 1.528544 6.997652 0.000000 3.975603 2.602324 2.175336 1.084340 2.180215 2.674581 3.490288 2.176983 2.687717 2.758869 2.759797 4.243512 4.997796 5.619666 6.127078 6.450827 5.765380 6.710294 7.162894 6.245976 0.000000 2.430790 3.267709 2.206038 2.222955 1.084744 3.502313 2.664170 2.749759 2.163924 4.042111 5.022266 4.978536 3.866442 4.615552 4.503140 4.856184 5.442320 6.541602 5.307894 6.564214 3.083588 0.000000 4.004815 3.477909 2.156589 3.458202 3.073855 1.092348 2.800366 4.735750 3.287361 5.779697 6.077526 7.085802 4.765359 4.359623 6.035777 4.594636 4.407108 4.676867 7.146541 3.904045 3.650125 3.795563 0.000000 3.948172 2.477574 2.178672 2.729597 2.834251 1.087088 3.474982 4.139365 2.804259 4.939908 4.882674 6.393185 4.643509 4.579309 6.031830 5.316658 4.397140 4.910325 7.203232 4.117395 2.402815 3.864993 1.761286 0.000000 5.133810 4.094753 2.138684 3.085188 3.507454 1.091579 2.731616 4.139403 4.087119 4.887380 4.972924 6.184198 6.044638 5.886372 7.344498 6.286805 5.828194 6.128161 8.466699 5.148653 3.123706 4.323779 1.761152 1.760045 0.000000 5.485411 5.293645 2.150208 3.057234 3.450248 2.802590 1.091456 3.299442 4.717424 4.192361 4.966317 5.031219 6.756863 6.867022 7.736941 6.903705 7.273183 7.792138 8.670897 7.113996 3.811696 3.653177 3.210438 3.782663 2.572332 0.000000 4.588323 5.003582 2.180367 2.796018 2.701885 3.476467 1.088853 2.789195 4.112664 3.959732 5.106885 4.631429 5.978989 6.342937 6.702760 6.285944 7.035654 7.802693 7.492628 7.457816 3.837774 2.391494 3.783085 4.332919 3.758545 1.758475 0.000000 4.514097 4.893435 2.149470 3.486447 3.067391 2.740370 1.091326 4.086913 4.109341 5.272733 6.136277 6.175307 5.705377 5.640153 6.583288 5.408221 6.210168 6.696222 7.468808 6.232743 4.309373 3.078398 2.578850 3.765805 3.023717 1.763417 1.756967 0.000000 4.791233 4.846885 2.916766 2.181491 2.759692 4.357407 2.903973 1.086185 4.118785 2.069805 3.469945 2.616829 6.188721 6.997364 6.827252 7.318842 7.648599 8.684484 7.558402 8.425886 3.101617 2.500071 5.060343 4.800099 4.675825 3.270911 2.270276 3.864032 0.000000 5.923652 4.410944 3.893691 2.694158 4.099478 4.289508 4.867310 2.701191 4.665766 2.177699 1.087282 3.480678 6.892030 7.590559 7.956560 8.489534 7.622354 8.517042 8.933389 7.917281 2.049212 4.810952 5.367865 4.000088 4.291010 4.807547 5.092514 5.846961 3.775954 0.000000 6.848741 5.597082 5.226625 3.829637 5.136280 5.898618 6.026114 3.227213 5.740168 2.143940 1.092711 2.781177 7.833909 8.763035 8.689625 9.670964 8.915123 9.952574 9.524418 9.495033 3.426725 5.595015 6.954467 5.655061 5.952496 5.995144 5.968321 7.072277 4.101446 1.759916 0.000000 7.378215 6.080879 4.917294 3.835058 5.331447 5.443366 5.467992 3.223777 6.176638 2.141225 1.092846 2.780008 8.469685 9.173155 9.465220 9.948589 9.273382 10.124529 10.387989 9.442599 3.554371 5.846458 6.522746 5.392086 5.188548 5.133040 5.545098 6.524938 4.097120 1.757834 1.750665 0.000000 7.384515 6.880502 5.793340 4.516567 5.583825 6.933900 6.051345 3.190416 6.566088 2.149883 2.792235 1.092985 8.590634 9.642660 9.156531 10.262922 10.120906 11.255594 9.791818 10.942745 4.741341 5.551273 7.877805 7.040711 7.028805 6.051274 5.551827 7.105864 3.384160 3.797767 2.606408 3.141092 0.000000 6.890830 6.767201 5.027538 4.071603 4.953636 6.337644 4.892120 2.598005 6.196335 2.161591 3.470127 1.089393 8.236814 9.173364 8.766852 9.554259 9.790226 10.863186 9.386298 10.554381 4.672624 4.702140 7.156939 6.702647 6.427924 4.896474 4.210630 5.888528 2.277379 4.320899 3.782613 3.779793 1.763529 0.000000 7.886076 7.285487 5.523569 4.527941 5.771864 6.557508 5.504463 3.194262 6.958138 2.151412 2.791470 1.093020 9.181700 10.024626 9.903546 10.533625 10.444858 11.414854 10.641803 10.903630 4.839364 5.813534 7.506594 6.836887 6.400436 5.206280 5.103583 6.570248 3.387905 3.797345 3.137012 2.604193 1.751404 1.764224 0.000000 2.078216 2.366692 5.077350 5.004794 3.955491 5.153498 6.268540 6.137201 2.516587 7.055305 7.264830 8.278750 1.093690 2.143061 2.084889 3.470431 2.519411 4.008088 3.173427 4.759561 4.838666 4.347318 5.119654 4.623095 6.205637 7.173170 6.512760 6.331927 6.436474 6.576140 7.475188 8.236057 8.490895 8.360591 9.174512 0.000000 3.553031 5.177146 6.284526 6.976471 5.518917 6.317056 6.786241 8.055903 4.658279 9.292500 9.899305 10.377451 2.879239 2.147059 2.737708 1.091511 3.207785 3.835475 3.161167 4.979946 7.274686 5.446389 5.651505 6.329713 7.326236 7.785828 7.000948 6.249376 7.943792 9.300645 10.370585 10.761047 10.838018 10.128087 11.221097 3.808584 0.000000 3.962390 5.027078 5.808415 6.765314 5.448372 5.475708 6.287978 7.997132 4.671959 9.233199 9.725663 10.431835 3.491687 2.160778 4.006912 1.087291 2.697134 2.734316 4.729363 3.606959 6.999820 5.608398 4.622752 5.530610 6.371523 7.155353 6.751664 5.626039 7.996848 9.027035 10.328830 10.470983 11.013836 10.263646 11.155889 4.293136 1.760630 0.000000 2.715449 4.331509 4.713082 5.584676 4.144441 4.820787 5.079335 6.651356 3.607357 7.935807 8.617549 9.017481 2.769946 2.145121 3.183345 1.091284 3.257904 3.920375 3.927783 4.574838 6.012935 4.072144 4.135194 5.035252 5.794657 6.066965 5.339562 4.500366 6.508889 8.059550 9.208021 9.404901 9.591350 8.749703 9.789597 3.797316 1.752097 1.757575 0.000000 3.486092 2.903996 5.485414 5.764144 4.895179 4.938027 6.718681 7.142593 3.509146 8.040486 8.014696 9.427886 2.574668 2.071882 3.756699 3.477805 1.086486 2.182400 4.825079 2.861340 5.413247 5.561662 4.688752 4.251966 5.865106 7.469992 7.274775 6.621314 7.593480 7.123420 8.365047 8.834244 9.766402 9.622727 10.177358 2.176702 4.097018 3.770150 4.116670 0.000000 5.461148 5.160951 7.127006 7.756534 6.848839 6.264787 8.138107 9.196237 5.633334 10.159346 10.126352 11.573989 4.493898 3.272856 5.385818 3.956422 2.117552 1.093768 6.255287 2.151077 7.466165 7.468653 5.676091 5.728985 7.029698 8.810857 8.832456 7.768376 9.595726 9.181988 10.584642 10.836478 12.017441 11.732541 12.246364 4.435037 4.476496 3.584950 4.857890 2.466029 0.000000 4.967337 5.205566 6.520474 7.403623 6.325790 5.762408 7.269541 8.797606 5.322962 9.904171 10.100995 11.250346 4.221066 2.727598 5.033465 2.756165 2.151075 1.090430 5.874005 2.157606 7.351421 6.788119 4.954370 5.522884 6.549519 7.988494 7.933846 6.713299 9.030794 9.241410 10.676755 10.794449 11.801247 11.266222 11.915390 4.581742 3.373530 2.053294 3.586866 3.080188 1.745042 0.000000 4.377400 6.180570 7.836160 7.839593 6.491250 8.391889 8.464377 8.503586 5.625379 9.528140 10.207794 10.322531 3.720523 4.512590 2.262233 4.552224 5.566536 6.764547 1.063350 7.977449 8.115157 6.124232 8.150717 8.246991 9.474984 9.543721 8.269489 8.315502 8.291141 9.836422 10.319502 11.244637 10.430893 10.015937 11.355136 4.190546 3.825620 5.513544 4.745758 5.818803 7.112807 6.715838 0.000000 4.717423 4.178892 4.824958 5.820324 5.124442 3.690905 5.631356 7.257549 4.444104 8.259745 8.318293 9.664702 4.581384 3.443739 5.850056 3.803273 2.775996 2.170440 6.943552 1.090165 5.682577 5.843182 2.919365 3.461046 4.276385 6.119575 6.511219 5.201860 7.646778 7.415648 9.024701 8.851724 10.316049 9.800739 10.171810 4.804083 4.825120 3.356096 4.059112 3.266892 3.063141 2.513464 7.940824 0.000000 6.179768 5.531083 6.542733 7.456766 6.811469 5.321107 7.369981 8.915023 5.981722 9.846814 9.757312 11.287332 5.732562 4.454008 6.902041 4.832436 3.444844 2.175491 7.921426 1.090157 7.188822 7.550974 4.612933 4.952066 5.773672 7.793990 8.270346 6.921436 9.363564 8.786065 10.410913 10.258780 11.899961 11.484891 11.773322 5.807727 5.685198 4.177212 5.362243 3.836893 2.482220 2.503217 8.866961 1.765204 0.000000 5.213407 4.092455 5.597997 6.237727 5.734498 4.416977 6.700878 7.710810 4.785675 8.537243 8.320440 10.013333 4.813767 3.877443 6.138487 4.742032 2.736804 2.176305 7.253250 1.090432 5.801861 6.600513 4.013082 3.757797 4.965995 7.146479 7.564734 6.497113 8.283294 7.312295 8.885108 8.875877 10.534602 10.308667 10.532346 4.639417 5.648449 4.464595 5.211003 2.672203 2.523330 3.071184 8.264681 1.756773 1.762176 0.000000 C18H26O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0197,1.3204,.1704;-.3026,-.1053,-1.4064;1.5361,-1.0114,.9883;2.3269,-.2533,-.0373;1.0518,.3461,.5112;.826,-2.2714,.5554;2.0291,-1.0759,2.414;3.619,.3914,.2638;-.1328,.4704,-.3644;4.7345,.3314,-.4673;4.8793,-.437,-1.7457;5.9721,1.0629,-.039;-2.2918,1.439,-.485;-3.215,.3444,.0008;-2.7953,2.7736,-.1795;-3.6397,.4355,1.4341;-3.5442,-.6254,-.8516;-4.3677,-1.8425,-.582;-3.2447,3.8622,.0451;-3.5032,-3.1031,-.5755;2.218,-.6412,-1.044;1.1596,1.1485,1.2332;-.0685,-2.4421,1.1587;.5245,-2.2529,-.4889;1.4858,-3.1295,.6966;2.7789,-1.8614,2.5233;2.4791,-.1439,2.7525;1.205,-1.3052,3.0917;3.6537,.986,1.1721;3.9765,-.9638,-2.0454;5.163,.2275,-2.5654;5.6776,-1.1781,-1.6575;6.2862,1.7817,-.8001;5.8271,1.6068,.8936;6.809,.3739,.1011;-2.1591,1.3537,-1.5673;-4.2719,1.3095,1.6012;-4.1926,-.4422,1.76;-2.7747,.5423,2.0909;-3.1335,-.5711,-1.8561;-5.1285,-1.9342,-1.3625;-4.9105,-1.7618,.3603;-3.6339,4.8306,.2485;-2.764,-3.0624,.2247;-4.1097,-3.9974,-.4315;-2.9601,-3.2157,-1.5143; 0.5157162 0.1642013 0.1438528 -19.17003 -19.10835 -10.30066 -10.25827 -10.19893 -10.18698 -10.18342 -10.18265 -10.17951 -10.17688 -10.17266 -10.17233 -10.17133 -10.16564 -10.16422 -10.16388 -10.16326 -10.16281 -10.16110 -10.15961 -1.11887 -1.02908 -0.89385 -0.84107 -0.81434 -0.79491 -0.75641 -0.74727 -0.72682 -0.70284 -0.69710 -0.69482 -0.69042 -0.64668 -0.62056 -0.57540 -0.55673 -0.54651 -0.54273 -0.53363 -0.50393 -0.50094 -0.49505 -0.47572 -0.47084 -0.45835 -0.45153 -0.44178 -0.43876 -0.43306 -0.42614 -0.41493 -0.41363 -0.40438 -0.39749 -0.38983 -0.38854 -0.38527 -0.38157 -0.37979 -0.37612 -0.37136 -0.36732 -0.35831 -0.35187 -0.34129 -0.33474 -0.32169 -0.31285 -0.29890 -0.29083 -0.28286 -0.27597 -0.25195 -0.23009 -0.01249 -0.00756 -0.00209 0.00571 0.01191 0.01450 0.01547 0.01866 0.02105 0.02652 0.02869 0.03436 0.03546 0.03990 0.04183 0.04476 0.04780 0.05176 0.05314 0.05724 0.05890 0.06554 0.06713 0.07130 0.07710 0.07787 0.08203 0.08432 0.08577 0.08879 0.09359 0.09646 0.09923 0.10294 0.10930 0.11038 0.11501 0.11879 0.11969 0.12299 0.12721 0.12947 0.13254 0.13586 0.13801 0.14227 0.14719 0.15012 0.15126 0.15407 0.15882 0.16007 0.16379 0.16730 0.16901 0.17178 0.17488 0.17807 0.18366 0.18626 0.18986 0.19369 0.19403 0.19690 0.19803 0.20116 0.20593 0.20704 0.21133 0.21495 0.21647 0.21937 0.22064 0.22528 0.22936 0.23099 0.23302 0.23523 0.23737 0.23930 0.23988 0.24440 0.24755 0.24935 0.25352 0.25367 0.26051 0.26227 0.26567 0.27012 0.27070 0.27553 0.27748 0.28091 0.28488 0.28608 0.28860 0.29188 0.29214 0.29856 0.30169 0.30651 0.31203 0.31438 0.31633 0.32051 0.32933 0.33034 0.34088 0.34587 0.35661 0.35709 0.35996 0.36171 0.36908 0.37620 0.37907 0.38260 0.39295 0.39893 0.40815 0.41344 0.41618 0.42492 0.42833 0.43143 0.43362 0.44426 0.45062 0.45748 0.45919 0.46646 0.47693 0.48290 0.48890 0.49490 0.50635 0.51134 0.51956 0.52311 0.52594 0.53007 0.53961 0.54589 0.55949 0.56204 0.57015 0.57389 0.58285 0.59108 0.59888 0.60806 0.61221 0.61511 0.61846 0.62509 0.62988 0.63341 0.63686 0.64130 0.64520 0.65190 0.65404 0.66144 0.66283 0.66988 0.67390 0.67460 0.67957 0.68544 0.69049 0.69340 0.69526 0.69970 0.70048 0.70377 0.70895 0.71039 0.71779 0.71928 0.72244 0.72586 0.73066 0.73434 0.73874 0.74352 0.74661 0.74832 0.75430 0.75878 0.76496 0.76861 0.77498 0.77604 0.78313 0.79354 0.79897 0.80528 0.80627 0.81163 0.82101 0.83317 0.83965 0.85797 0.86430 0.86887 0.88449 0.89814 0.90615 0.91218 0.92356 0.93316 0.94189 0.94522 0.95789 0.98508 0.98999 1.00425 1.00800 1.01413 1.01688 1.03189 1.05005 1.05526 1.07406 1.08203 1.08561 1.09930 1.11209 1.13340 1.14640 1.15399 1.16038 1.17966 1.18272 1.20329 1.21020 1.22620 1.23332 1.24266 1.26703 1.27473 1.28150 1.30115 1.30912 1.31787 1.32781 1.33803 1.34058 1.34835 1.37323 1.37877 1.39027 1.40436 1.40927 1.41750 1.42585 1.44094 1.45178 1.45572 1.46515 1.46812 1.47115 1.47734 1.48041 1.48771 1.49856 1.50720 1.51010 1.51276 1.52309 1.52880 1.53985 1.54261 1.55223 1.56423 1.57298 1.57553 1.58116 1.58276 1.59033 1.59300 1.59834 1.60466 1.61496 1.62205 1.62308 1.62512 1.63686 1.64130 1.65337 1.65930 1.66398 1.68276 1.68656 1.69672 1.69696 1.70117 1.71073 1.71788 1.72230 1.72689 1.73555 1.74230 1.74956 1.75610 1.76102 1.77116 1.77722 1.78124 1.78704 1.79532 1.80468 1.81376 1.81851 1.82959 1.83624 1.85195 1.85488 1.86580 1.87217 1.88911 1.89893 1.90525 1.91099 1.92308 1.93227 1.95710 1.96289 1.97379 1.97842 1.98671 2.01209 2.02082 2.02828 2.04315 2.04712 2.05616 2.06788 2.07325 2.08480 2.10292 2.11461 2.11927 2.12465 2.13775 2.14274 2.14581 2.15284 2.17141 2.17727 2.17797 2.18790 2.21600 2.23251 2.24744 2.25563 2.26807 2.28908 2.31797 2.32809 2.35020 2.35556 2.36833 2.37542 2.40139 2.41163 2.42898 2.43760 2.44844 2.45356 2.46574 2.46935 2.47286 2.48260 2.48458 2.49194 2.50851 2.51547 2.52020 2.52881 2.53938 2.54314 2.54559 2.55178 2.55677 2.55789 2.56989 2.57556 2.58448 2.58730 2.59535 2.61274 2.61573 2.62230 2.63429 2.63867 2.64503 2.65284 2.66468 2.66968 2.67737 2.68242 2.69315 2.69896 2.70425 2.70814 2.72179 2.72522 2.74700 2.75308 2.76028 2.77330 2.77471 2.78304 2.80451 2.81672 2.82551 2.83765 2.85303 2.86030 2.88037 2.88213 2.89535 2.90232 2.91163 2.92498 2.94231 2.96473 2.97586 2.98335 2.99870 3.00085 3.00979 3.02080 3.04374 3.06239 3.06737 3.07026 3.07789 3.10225 3.10558 3.12334 3.14078 3.15315 3.16844 3.17906 3.20347 3.23380 3.24374 3.25995 3.29168 3.32101 3.32939 3.35502 3.37558 3.40743 3.42525 3.45235 3.47908 3.60771 3.61210 3.66894 3.68413 3.70118 3.71643 3.72746 3.77043 3.80454 3.81571 3.81877 3.82015 3.82525 3.82881 3.83834 3.84057 3.84403 3.85464 3.85928 3.89497 3.92037 4.06336 4.09842 4.11110 4.16829 4.21213 4.24229 4.28897 4.30956 4.33198 4.41440 4.46041 4.59091 4.61919 5.13299 5.14901 5.32124 5.42234 5.70381 5.93775 23.57017 23.70005 23.72956 23.83169 23.86178 23.89931 23.91263 23.91974 23.94521 23.98242 23.98793 24.00051 24.00126 24.00663 24.02191 24.27934 24.29139 25.15866 49.94482 50.04961 1-A. 0.1837 -0.5820 1.3772 1.5063 -113.6123 -119.9591 -124.6779 0.0533 -1.3548 0.8613 5.8041 -0.5426 -5.2615 0.0533 -1.3548 0.8613 13.6057 30.7462 -1.8698 -28.1670 1.8599 -6.2123 2.2629 -1.9382 3.9805 -3.0200 -7990.3454 -1965.7769 -969.0748 25.8606 -84.8111 -168.9780 38.0077 4.3362 3.6095 -1590.9495 -1498.0186 -533.0585 37.0181 -18.7690 25.9906 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0366,-1.1555,-.3899;-.2305,-.0222,1.3993;1.6422,1.195,-.8308;2.4043,.2214,.0402;1.086,-.2158,-.5993;.9842,2.3864,-.1591;2.1289,1.4976,-2.2365;3.6705,-.4233,-.369;-.0932,-.4322,.2683;4.7405,-.6628,.4028;4.8483,-.3034,1.8625;5.9651,-1.3398,-.1608;-2.3256,-1.3122,.2937;-3.2106,-.1278,-.0581;-2.8722,-2.6015,-.1173;-3.6489,-.0522,-1.496;-3.4726,.7687,.8991;-4.2405,2.0528,.7742;-3.359,-3.6521,-.4372;-3.3136,3.2764,.8941;2.2916,.4219,1.0991;1.1392,-.8824,-1.4514;.1196,2.7264,-.739;.6445,2.1553,.8498;1.6974,3.215,-.1045;2.9093,2.2648,-2.2089;2.5392,.6218,-2.7409;1.3035,1.878,-2.8462;3.7256,-.7377,-1.4082;3.9582,.1828,2.26;5.0382,-1.2012,2.4623;5.7001,.3672,2.0265;6.1809,-2.268,.3817;5.8506,-1.5832,-1.2192;6.8495,-.7007,-.0506;-2.1356,-1.3244,1.3684;-4.3279,-.8757,-1.7381;-4.1504,.8863,-1.7292;-2.7821,-.1507,-2.1566;-3.0385,.5933,1.8815;-4.99,2.0942,1.5739;-4.7922,2.0983,-.1675;-3.781,-4.5862,-.7179;-2.5817,3.2874,.0818;-3.8849,4.208,.855;-2.7587,3.2576,1.8364; 0.000000 2.266165 0.000000 3.591026 3.156241 0.000000 3.731045 2.974635 1.512380 0.000000 2.330784 2.400996 1.533982 1.529008 0.000000 4.084369 3.115293 1.517780 2.596825 2.641037 0.000000 4.524316 4.592974 1.518033 2.624504 2.589150 2.532992 0.000000 4.763788 4.301779 2.635531 1.478621 2.603039 3.892868 3.090984 0.000000 1.358859 1.210854 2.620547 2.591608 1.479828 3.047574 3.864656 3.817243 0.000000 5.852042 5.110202 3.817405 2.524128 3.815690 4.870627 4.295814 1.340858 4.841039 0.000000 6.358627 5.107645 4.447271 3.093468 4.497016 5.123768 5.238415 2.526077 5.193894 1.507157 0.000000 7.007931 6.523455 5.055817 3.893215 5.026099 6.220407 5.203461 2.479626 6.140903 1.508492 2.532762 0.000000 1.467383 2.697383 4.826356 4.978719 3.693015 4.983863 5.842845 6.097723 2.399723 7.096701 7.412412 8.303208 0.000000 2.427431 3.319062 5.088879 5.626585 4.331428 4.891594 5.991446 6.894452 3.149214 7.982398 8.286484 9.255989 1.519769 0.000000 2.352525 3.991438 5.941552 5.986190 4.646636 6.304943 6.804702 6.900328 3.546469 7.872860 8.295013 8.927035 1.459478 2.497437 0.000000 3.043805 4.479857 5.476635 6.251041 4.821814 5.403646 6.027640 7.414936 3.987511 8.623232 9.140312 9.791316 2.557685 1.505145 3.000526 0.000000 3.361271 3.374434 5.416201 5.964445 4.898440 4.857895 6.460604 7.352026 3.641505 8.351656 8.444813 9.728265 2.452013 1.337420 3.571035 2.538042 0.000000 4.681159 4.558124 6.157797 6.931529 5.950146 5.317891 7.066954 8.367910 4.861236 9.389946 9.452143 10.795303 3.901383 2.551169 4.932506 3.151960 1.501356 0.000000 3.410017 5.131887 6.975711 6.960351 5.620699 7.443337 7.737747 7.735825 4.640118 8.674249 9.157618 9.610516 2.660309 3.547701 1.201245 3.763565 4.619792 5.898319 0.000000 5.145372 4.543256 5.645123 6.538811 5.812153 4.513553 6.525721 8.003760 4.951391 8.979246 8.964896 10.417085 4.731957 3.536350 5.980580 4.111481 2.512661 1.539729 7.055350 0.000000 3.972709 2.578372 2.178066 1.083656 2.178210 2.674175 3.508588 2.184323 2.665856 2.767486 2.765131 4.264519 4.997384 5.649342 6.106154 6.499874 5.777998 6.740405 7.133464 6.293434 0.000000 2.436272 3.277538 2.225698 2.245812 1.083235 3.518394 2.694517 2.791068 2.162993 4.056576 5.007484 5.016443 3.903127 4.629378 4.563525 4.859700 5.433157 6.519942 5.378902 6.528686 3.087801 0.000000 4.065488 3.499937 2.161558 3.478853 3.099981 1.095251 2.791079 4.760981 3.322166 5.843279 6.189419 7.144150 4.832739 4.438490 6.141967 4.742866 4.406701 4.664080 7.271618 3.841306 3.661551 3.817198 0.000000 3.914706 2.410243 2.177627 2.737222 2.813646 1.089257 3.487279 4.158269 2.752773 4.991882 4.974238 6.445592 4.599401 4.571544 5.994175 5.367417 4.344590 4.886698 7.170107 4.114030 2.404077 3.842913 1.767997 0.000000 5.163146 4.056801 2.147368 3.079373 3.519761 1.094667 2.771516 4.147337 4.080120 4.955350 5.116320 6.241996 6.069470 5.938450 7.396838 6.418223 5.806887 6.114062 8.534316 5.109875 3.098885 4.349113 1.769435 1.772590 0.000000 5.529684 5.301635 2.156164 3.080429 3.473944 2.814685 1.094703 3.345255 4.735482 4.329602 5.189605 5.150329 6.816243 6.913984 7.840949 6.991823 7.254338 7.750038 8.799926 7.026766 3.836784 3.689454 3.186892 3.807419 2.607691 0.000000 4.633896 5.022700 2.186724 2.813050 2.720315 3.492562 1.090813 2.828111 4.134702 4.047084 5.232544 4.716094 6.051073 6.389061 6.823206 6.347967 7.029450 7.769749 7.639470 7.383472 3.853252 2.426061 3.780521 4.339920 3.792683 1.766211 0.000000 4.551062 4.897744 2.154733 3.505310 3.078923 2.753331 1.094333 4.127364 4.121616 5.368837 6.284554 6.268634 5.762517 5.672233 6.704434 5.484070 6.169978 6.623754 7.623914 6.104299 4.319931 3.097198 2.561606 3.764439 3.075598 1.770301 1.765281 0.000000 4.887807 4.903524 2.899830 2.182530 2.809706 4.339954 2.869177 1.087094 4.181743 2.077279 3.485131 2.633203 6.312178 7.092669 6.976480 7.406827 7.707579 8.718304 7.721919 8.423971 3.112524 2.590880 5.044959 4.791754 4.630003 3.212855 2.243200 3.843997 0.000000 5.810432 4.281080 3.992654 2.709912 4.072307 4.421759 5.029293 2.713235 4.556155 2.185502 1.089419 3.493760 6.751809 7.540638 7.749695 8.487053 7.577005 8.539472 8.690328 8.019603 2.045088 4.780783 5.495346 4.106075 4.460517 5.040448 5.216857 5.999479 3.789033 0.000000 6.711262 5.502673 5.302739 3.850705 5.095535 6.014741 6.150337 3.239111 5.633499 2.149421 1.096277 2.785479 7.677305 8.691816 8.437417 9.615321 8.874558 9.976620 9.215585 9.605231 3.469430 5.533638 7.061705 5.759441 6.103474 6.194005 6.053252 7.183953 4.113165 1.767176 0.000000 7.317172 5.976353 5.031470 3.850839 5.340813 5.576128 5.674908 3.237632 6.106735 2.148972 1.096403 2.787106 8.380597 9.164656 9.321641 9.999357 9.250396 10.159971 10.212292 9.538967 3.532862 5.870184 6.660043 5.490073 5.354689 5.415547 5.725741 6.734600 4.112886 1.767166 1.757216 0.000000 7.343460 6.869184 5.836319 4.536180 5.579675 6.997276 6.119993 3.204510 6.538162 2.156846 2.797908 1.096632 8.560515 9.642354 9.072995 10.249941 10.133107 11.288496 9.674503 11.006762 4.783093 5.540724 7.933540 7.101915 7.099462 6.161314 5.600359 7.169248 3.402085 3.804653 2.602454 3.143379 0.000000 6.950126 6.802395 5.057572 4.088934 4.995541 6.368868 4.937287 2.611691 6.234212 2.170309 3.484149 1.092107 8.319370 9.250464 8.850855 9.626009 9.845792 10.909803 9.471407 10.585966 4.697009 4.768883 7.186635 6.734982 6.443123 4.943423 4.259368 5.941562 2.294750 4.336476 3.789394 3.789604 1.772366 0.000000 7.906521 7.258697 5.596260 4.540751 5.809845 6.628979 5.647581 3.206925 6.955169 2.157508 2.796842 1.096646 9.201880 10.076400 9.905985 10.617243 10.469292 11.456450 10.633570 10.954339 4.832913 5.882448 7.583623 6.889794 6.471463 5.383133 5.250281 6.724794 3.406305 3.805157 3.137782 2.603002 1.757946 1.772669 0.000000 2.080335 2.307834 5.045344 4.976335 3.934380 5.082904 6.256561 6.127076 2.485505 6.975008 7.075431 8.243806 1.091443 2.149944 2.093081 3.480434 2.527635 4.023552 3.189837 4.772799 4.766731 4.344013 5.092712 4.484033 6.121065 7.150506 6.521356 6.312334 6.512100 6.340385 7.257794 8.043167 8.427856 8.398907 9.117802 0.000000 3.567735 5.230758 6.383851 7.049022 5.571638 6.430647 6.897190 8.127380 4.706968 9.320167 9.873997 10.423566 2.885849 2.151789 2.779326 1.094482 3.223462 3.859436 3.215529 5.019649 7.317888 5.474629 5.809785 6.372566 7.463729 7.903240 7.099726 6.365875 8.061520 9.260934 10.270082 10.783245 10.810598 10.216261 11.305470 3.828584 0.000000 3.957040 5.096907 5.869971 6.821764 5.469073 5.574914 6.329294 8.045580 4.710557 9.273239 9.761790 10.475620 3.500742 2.168933 4.049270 1.089291 2.716878 2.763359 4.784579 3.646185 7.050797 5.584329 4.753846 5.590426 6.500719 7.208935 6.770842 5.654760 8.048093 9.064066 10.312947 10.554930 11.006444 10.313925 11.239822 4.305997 1.770888 0.000000 2.679139 4.378588 4.810772 5.644766 4.170369 4.961092 5.180849 6.701230 3.631798 7.962597 8.625582 9.050511 2.749814 2.141970 3.189546 1.094252 3.264927 3.946172 3.943168 4.618919 6.055601 4.050844 4.325222 5.108659 5.967054 6.182982 5.408789 4.613460 6.576909 8.065333 9.143089 9.471790 9.553160 8.800799 9.874525 3.771119 1.757918 1.769219 0.000000 3.496490 2.914881 5.443192 5.757876 4.880640 4.854029 6.669204 7.149084 3.511338 8.017356 7.937702 9.432591 2.580783 2.076483 3.772266 3.492433 1.088272 2.191116 4.847951 2.872214 5.389929 5.544304 4.625019 4.131525 5.766010 7.409578 7.244282 6.546395 7.638559 7.018940 8.294071 8.742759 9.769108 9.662713 10.157792 2.180859 4.113670 3.789421 4.114152 0.000000 5.481471 5.211798 7.111796 7.780447 6.853924 6.227334 8.096514 9.225890 5.662737 10.181149 10.130404 11.611048 4.510175 3.281323 5.421751 3.978676 2.124819 1.096766 6.302772 2.161019 7.486198 7.455161 5.644153 5.681208 6.985313 8.759956 8.801997 7.693638 9.637148 9.175742 10.593152 10.838176 12.051592 11.783161 12.272919 4.458353 4.497527 3.615879 4.881724 2.481079 0.000000 4.974067 5.268830 6.531278 7.440112 6.332009 5.783573 7.248639 8.832683 5.354846 9.940898 10.140455 11.293375 4.234203 2.732982 5.077164 2.774321 2.155662 1.092361 5.932478 2.168179 7.388778 6.761234 4.984593 5.531356 6.585260 7.969138 7.909013 6.661949 9.062861 9.280659 10.697654 10.858100 11.822707 11.310518 11.974018 4.596905 3.395160 2.078479 3.613219 3.088530 1.752560 0.000000 4.405513 6.157828 7.927531 7.870528 6.542364 8.463795 8.616545 8.542632 5.641652 9.448030 9.973296 10.287735 3.722985 4.542851 2.263968 4.602148 5.602229 6.820043 1.062748 8.039677 8.078309 6.201925 8.287869 8.215294 9.552373 9.691148 8.435681 8.495173 8.463891 9.565904 9.967526 11.043524 10.287084 10.101355 11.338014 4.207065 3.886824 5.577310 4.768709 5.842543 7.165294 6.782907 0.000000 4.727544 4.268210 4.801359 5.853440 5.117443 3.685903 5.546896 7.284442 4.479219 8.326025 8.442201 9.722059 4.611594 3.475471 5.899451 3.844640 2.793782 2.180663 7.002154 1.093384 5.744119 5.795123 2.878426 3.504300 4.283805 6.036898 6.426348 5.065050 7.629172 7.559986 9.158502 8.994341 10.379669 9.824408 10.240646 4.808646 4.867516 3.392061 4.107520 3.271997 3.074034 2.522327 8.004436 0.000000 6.199179 5.616538 6.516878 7.490742 6.811336 5.296716 7.284901 8.946030 6.021054 9.916019 9.881171 11.350456 5.763569 4.481917 6.952712 4.871546 3.464134 2.185821 7.982919 1.093552 7.248634 7.514871 4.557596 4.972863 5.750580 7.702248 8.189122 6.785836 9.354256 8.926933 10.557710 10.392149 11.978505 11.516066 11.838213 5.825010 5.723985 4.216937 5.411522 3.851753 2.491146 2.513794 8.934289 1.773018 0.000000 5.234345 4.164195 5.544138 6.253191 5.725304 4.330236 6.601196 7.729713 4.814511 8.582791 8.399376 10.061364 4.842622 3.905733 6.177359 4.780431 2.753665 2.185317 7.298910 1.093717 5.838701 6.568390 3.898663 3.710921 4.860702 7.033985 7.481238 6.350769 8.278720 7.399389 9.003655 8.941084 10.609782 10.338808 10.561621 4.647834 5.685423 4.502675 5.249977 2.679370 2.530018 3.081328 8.312338 1.763786 1.770483 0.000000 C18H26O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0002,1.3003,.2885;-.2662,-.0118,-1.4071;1.5263,-1.173,.9167;2.3479,-.3168,-.0209;1.0595,.2483,.5778;.7952,-2.368,.3327;1.9929,-1.3993,2.3435;3.6519,.2765,.3451;-.1037,.4724,-.3092;4.735,.3904,-.4372;4.8203,-.0833,-1.8654;5.9994,1.0299,.0802;-2.2767,1.4855,-.4111;-3.2341,.3883,.0239;-2.7416,2.8335,-.1001;-3.6765,.4479,1.4613;-3.5515,-.5594,-.8649;-4.3983,-1.78,-.6482;-3.1618,3.9334,.138;-3.5497,-3.0646,-.6718;2.2231,-.5886,-1.0624;1.1541,.9723,1.378;-.0891,-2.6091,.9322;.4708,-2.1924,-.6922;1.4552,-3.2413,.3436;2.7238,-2.2136,2.377;2.4572,-.5155,2.783;1.1453,-1.6809,2.9758;3.7265,.6637,1.3582;3.9015,-.5415,-2.2298;5.0661,.7535,-2.5297;5.6285,-.8161,-1.9747;6.273,1.8997,-.5291;5.9002,1.3585,1.1169;6.8421,.3305,.0223;-2.0861,1.4053,-1.4827;-4.3028,1.328,1.638;-4.2357,-.4373,1.7616;-2.8054,.5414,2.1169;-3.1072,-.4853,-1.8556;-5.1488,-1.8344,-1.4461;-4.9519,-1.7205,.2916;-3.5247,4.9103,.3462;-2.8201,-3.0604,.1425;-4.1782,-3.9532,-.566;-2.9946,-3.1511,-1.6103; 0.5026710 0.1640593 0.1429654 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= 611 611 611 611 611 MxSgAt= 46 MxSgA2= 46. 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= 596 RedAO= T EigKep= 1.87D-06 NBF= 596 NBsUse= 595 1.00D-06 EigRej= 2.98D-07 NBFU= 595 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= 611 610 610 611 611 MxSgAt= 46 MxSgA2= 46. 1 7.22535246e-02 -2.28961654e-01 5.41832516e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0.002503394 -0.005375152 -0.012176438 -0.001837448 0.005653098 0.013463744 -0.000372778 0.006104088 -0.002891490 0.006989642 -0.000728745 0.006235325 -0.004761799 -0.007155078 -0.003064472 -0.001714472 0.003149419 0.002202137 0.001254858 0.000126506 -0.004132916 -0.001873477 -0.001249492 -0.002336554 0.010520104 0.001920084 -0.003878680 0.001447174 -0.000371774 0.000635530 -0.000681949 0.001739363 0.003172977 0.002370860 -0.001639053 -0.001872233 -0.011213583 -0.005404089 0.004634068 -0.001245502 0.000997643 -0.000216935 0.000550427 -0.000305251 0.002310929 -0.001270773 0.001874045 -0.003791540 -0.000785837 -0.000029853 0.003244505 -0.003061481 -0.000383092 -0.000535638 -0.002124179 -0.004302771 -0.002025768 0.001789998 0.003634225 0.000407019 -0.001342805 -0.000290767 -0.000423155 -0.001184929 -0.000009848 0.000848822 -0.001591646 0.000321120 -0.001323790 -0.000852652 -0.001997123 0.001456530 0.001679757 0.001518392 -0.000371469 0.001530696 0.001618995 0.000350137 0.000562921 -0.001294277 -0.000209398 -0.001861911 0.000966394 -0.000894732 -0.000385743 -0.000035055 -0.000797089 -0.001487288 0.000738555 0.000265219 0.000756956 -0.001978261 0.001285647 0.002087600 0.001312232 -0.000193134 0.000510824 -0.001698634 0.001807162 -0.000512720 -0.000601331 -0.001810696 0.001873384 0.001657600 0.000303523 0.002114796 0.000985833 -0.000893548 -0.000820175 -0.001893145 -0.000140019 -0.000587106 0.001446804 0.000137900 0.002297352 -0.000842937 -0.000517211 0.001028023 -0.000065867 0.000915093 -0.001287437 0.000010605 0.001696221 -0.000423663 -0.000075027 -0.001320228 0.000161302 0.000446444 0.000215296 0.001521460 -0.000107307 -0.001677989 -0.001347054 0.002068181 -0.000074841 0.001076881 -0.000455694 0.001982177 0.013463744 0.002949446 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) Closed 1 1 1 -852.197393090677 -852.197394282944 -0.000001192267 -852.197394290543 -0.000000007600 -852.197394294864 -0.000000004321 -852.197394295682 -0.000000000818 -852.197394295779 -0.000000000097 -852.197394295773 0.000000000006 -852.197394295828 -0.000000000055 -852.197394296 8 8.483101100833e+02 -5.061339303672e+03 1.820726139071e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414806594 LenY= 1414426522 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) PT103138S Wed Oct 9 19:23:12 2024 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 44 45 46 O O 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 H H H H H H H 0.173346 -0.216075 0.186908 0.645906 -0.041443 -0.544869 -0.532979 0.064418 -0.746509 0.004372 -0.736715 -0.606130 -0.457932 0.979882 0.478313 -0.672919 -0.299269 -0.427884 -0.480444 -0.495016 0.146899 0.157510 0.133774 0.166060 0.143301 0.145031 0.126001 0.146705 0.090038 0.132701 0.146393 0.146352 0.143084 0.132499 0.143400 0.187074 0.165852 0.128220 0.161586 0.131696 0.145668 0.131721 0.152331 0.137927 0.139431 0.143786 -0.00000 -19.16787 -19.11016 -10.30262 -10.25883 -10.20259 -10.18960 -10.18651 -10.18548 -10.18124 -10.17968 -10.17504 -10.17380 -10.17339 -10.16843 -10.16662 -10.16546 -10.16502 -10.16500 -10.16350 -10.16086 -1.10652 -1.02262 -0.88784 -0.83756 -0.81191 -0.79189 -0.75543 -0.74533 -0.72335 -0.70178 -0.69570 -0.69389 -0.68912 -0.64515 -0.61978 -0.57265 -0.55218 -0.54582 -0.54085 -0.53212 -0.50176 -0.49869 -0.49298 -0.47453 -0.46971 -0.45601 -0.45039 -0.44073 -0.43682 -0.43181 -0.42572 -0.41347 -0.41255 -0.40340 -0.39734 -0.38962 -0.38810 -0.38518 -0.38116 -0.37932 -0.37626 -0.37137 -0.36678 -0.35791 -0.35228 -0.34200 -0.33385 -0.32364 -0.31176 -0.29812 -0.29029 -0.28295 -0.27584 -0.25211 -0.23000 -0.01463 -0.01148 -0.00222 0.00545 0.01198 0.01400 0.01471 0.01874 0.02065 0.02591 0.02830 0.03400 0.03545 0.04025 0.04061 0.04448 0.04776 0.05234 0.05321 0.05676 0.05841 0.06609 0.06677 0.06974 0.07521 0.07776 0.08082 0.08363 0.08574 0.08874 0.09423 0.09563 0.09848 0.10245 0.10805 0.10928 0.11552 0.11754 0.11832 0.12132 0.12575 0.12843 0.13236 0.13571 0.13804 0.14010 0.14679 0.14884 0.15040 0.15277 0.15742 0.15887 0.16247 0.16635 0.16784 0.16865 0.17401 0.17730 0.18294 0.18444 0.18876 0.19218 0.19288 0.19522 0.19834 0.20083 0.20479 0.20625 0.20992 0.21336 0.21592 0.21906 0.21993 0.22397 0.22759 0.22909 0.23182 0.23248 0.23546 0.23744 0.23873 0.24326 0.24621 0.24809 0.25157 0.25340 0.25926 0.26058 0.26373 0.26735 0.27079 0.27246 0.27432 0.27756 0.28290 0.28429 0.28538 0.28898 0.29020 0.29406 0.29804 0.30271 0.30911 0.31147 0.31370 0.31813 0.32523 0.32633 0.33759 0.34329 0.35379 0.35495 0.35799 0.36069 0.36718 0.37495 0.37702 0.38351 0.38879 0.39836 0.40539 0.41149 0.41397 0.42144 0.42743 0.43039 0.43295 0.44159 0.45068 0.45830 0.45948 0.46532 0.47734 0.48186 0.48752 0.49584 0.50157 0.50812 0.51669 0.52405 0.52508 0.52774 0.53969 0.54374 0.55533 0.56135 0.56621 0.57142 0.58046 0.58888 0.59582 0.60508 0.60883 0.61159 0.61680 0.62298 0.62546 0.63072 0.63445 0.63951 0.64598 0.64865 0.65176 0.65837 0.66110 0.66488 0.67085 0.67213 0.67695 0.68349 0.68722 0.69238 0.69300 0.69689 0.69785 0.70074 0.70710 0.71009 0.71542 0.71779 0.71919 0.72435 0.72895 0.73026 0.73644 0.74071 0.74229 0.74830 0.75293 0.75738 0.76603 0.76705 0.76949 0.77286 0.78292 0.79326 0.79657 0.80111 0.80564 0.81096 0.81865 0.83087 0.83912 0.85247 0.86145 0.86591 0.88258 0.89765 0.90340 0.91086 0.92164 0.93140 0.94045 0.94802 0.96364 0.97981 0.98628 1.00345 1.00717 1.01061 1.01362 1.03164 1.04712 1.05295 1.07419 1.07653 1.08074 1.09834 1.10365 1.13714 1.13870 1.14779 1.15970 1.17733 1.18049 1.19920 1.20763 1.22563 1.23419 1.24343 1.26225 1.27191 1.28014 1.29381 1.30806 1.31731 1.32831 1.33414 1.33776 1.35076 1.36893 1.37302 1.38776 1.39951 1.40582 1.41570 1.42440 1.43660 1.44863 1.45311 1.45694 1.46394 1.46571 1.47119 1.47738 1.48380 1.50258 1.50410 1.50747 1.50913 1.52000 1.52443 1.53400 1.54016 1.54851 1.55937 1.56742 1.57077 1.57762 1.57887 1.58268 1.59100 1.59662 1.60037 1.61108 1.61546 1.61622 1.62410 1.63070 1.63381 1.64196 1.65413 1.65656 1.67625 1.67718 1.68887 1.69010 1.69664 1.70399 1.71376 1.71431 1.72230 1.73276 1.73401 1.74359 1.75093 1.75444 1.76342 1.77393 1.77953 1.78202 1.78892 1.79811 1.80934 1.81571 1.82414 1.82809 1.84740 1.85006 1.86109 1.87022 1.88416 1.88821 1.90087 1.90597 1.92165 1.92528 1.95035 1.95835 1.97021 1.97252 1.98030 2.00172 2.01199 2.02255 2.03971 2.04304 2.04833 2.06322 2.06942 2.07767 2.09284 2.10358 2.11141 2.11834 2.13089 2.13520 2.13868 2.14608 2.16375 2.17227 2.17453 2.18274 2.20352 2.22070 2.23697 2.24719 2.26018 2.28218 2.30966 2.31997 2.34245 2.34562 2.35857 2.36917 2.38904 2.40805 2.42297 2.43125 2.44323 2.44603 2.46154 2.46265 2.46761 2.47464 2.48264 2.48748 2.50491 2.50911 2.51481 2.52303 2.53321 2.53644 2.54254 2.54570 2.54984 2.55170 2.56127 2.57027 2.57974 2.58403 2.58990 2.60667 2.61203 2.61940 2.62963 2.63300 2.63409 2.64432 2.65532 2.66461 2.66744 2.67691 2.68778 2.69400 2.70129 2.70398 2.71572 2.72188 2.73754 2.75172 2.75380 2.76497 2.77111 2.77714 2.79372 2.81484 2.82002 2.83375 2.84273 2.85383 2.87284 2.88151 2.88613 2.89319 2.90691 2.91851 2.93224 2.95631 2.96453 2.97286 2.98318 2.98902 2.99813 3.00422 3.03476 3.05370 3.05896 3.06259 3.07035 3.08782 3.09150 3.10124 3.12636 3.13310 3.15549 3.16730 3.18902 3.21277 3.22229 3.24159 3.27184 3.30606 3.32018 3.34061 3.35836 3.39254 3.41189 3.44189 3.46339 3.58439 3.60194 3.64236 3.65872 3.68461 3.70340 3.71536 3.76052 3.79384 3.80579 3.80924 3.81153 3.81733 3.82078 3.82721 3.83431 3.83821 3.84743 3.84917 3.88818 3.92125 4.03943 4.08368 4.10626 4.15608 4.19485 4.22266 4.27285 4.29036 4.31007 4.40154 4.44830 4.56311 4.59522 5.13435 5.14647 5.31310 5.39756 5.66410 5.91526 23.56269 23.69134 23.71866 23.80398 23.84284 23.87766 23.89030 23.89881 23.93253 23.96947 23.97598 23.98691 23.98816 23.99532 24.01326 24.25126 24.26692 25.14643 49.94051 50.03749 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 44 45 46 O O 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 H H H H H H H 0.153808 -0.219225 0.188649 0.654535 -0.078708 -0.545408 -0.510584 -0.032438 -0.738336 0.082417 -0.732828 -0.606245 -0.441641 0.944464 0.470657 -0.663119 -0.284381 -0.423240 -0.468667 -0.500375 0.145887 0.159415 0.132763 0.164525 0.144638 0.147472 0.127583 0.148469 0.089083 0.136319 0.146809 0.146766 0.143676 0.133790 0.144439 0.191074 0.166584 0.129234 0.164851 0.132303 0.147048 0.132394 0.152996 0.138049 0.140501 0.143997 -0.00000 7.24504738e-02 -2.70723767e-01 5.22619768e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.1842 -0.6881 1.3284 1.5073 -113.6568 -119.9369 -124.5629 0.3901 -1.2449 0.6798 5.7287 -0.5514 -5.1773 0.3901 -1.2449 0.6798 13.9428 33.7971 -0.5246 -29.3533 3.3843 -6.1501 3.8141 -2.3905 3.9822 -4.6723 -7997.6533 -2006.9283 -980.9151 48.9445 -85.5626 -174.1496 39.7957 10.9448 4.8057 -1610.3820 -1495.5493 -545.3355 35.9619 -27.2421 25.5685 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -852.1973943 5.702E-9 2.938E-6 4.1954909,-0.441263,-3.7542279,-0.6531657,0.9480681,0.698472 C01 [X(C18H26O2)] 0.0917187 0.3039402 -0.5008791 0.000002553 0.000004440 0.000008250 0.000000791 0.000004288 0.000010101 0.000001073 0.000001787 -0.000009065 0.000004717 -0.000003735 0.000003601 -0.000001248 0.000003099 0.000006387 -0.000000410 0.000002744 0.000005477 0.000000465 -0.000000577 -0.000000829 0.000000493 -0.000000401 0.000000086 -0.000001088 -0.000009641 -0.000018699 -0.000003971 0.000001642 -0.000000375 -0.000000262 0.000001195 0.000002396 0.000002138 -0.000002134 -0.000000649 0.000001188 -0.000006877 -0.000001680 -0.000001068 0.000007104 -0.000001780 0.000000057 0.000002907 0.000000339 -0.000001205 -0.000001083 -0.000002950 0.000003669 -0.000001985 0.000004069 -0.000005055 -0.000000311 -0.000001932 -0.000000173 -0.000000178 0.000000160 0.000002885 0.000003826 -0.000000976 -0.000001270 0.000001000 -0.000000141 -0.000001089 -0.000001258 0.000000105 0.000000906 -0.000000459 -0.000000420 0.000000127 -0.000000085 -0.000002024 -0.000000101 -0.000001337 -0.000000862 -0.000000161 -0.000000735 0.000000105 -0.000000037 -0.000000242 0.000001111 0.000000734 -0.000000823 0.000001222 -0.000000398 -0.000000359 0.000000893 -0.000000671 -0.000000669 -0.000000652 -0.000000126 -0.000000034 -0.000000739 -0.000000665 -0.000000720 -0.000000645 -0.000000597 0.000000471 0.000000268 -0.000000191 -0.000000056 0.000001349 -0.000000759 -0.000000637 0.000000729 -0.000001139 0.000000558 -0.000001098 0.000001113 0.000000389 0.000000206 0.000000655 -0.000001146 0.000000274 -0.000000145 0.000000314 0.000000723 -0.000002342 -0.000000558 -0.000001161 0.000002177 0.000002223 -0.000000545 0.000000140 -0.000000102 0.000001128 -0.000000646 -0.000000201 0.000000326 -0.000000615 -0.000000605 0.000000002 0.000000106 -0.000000639 -0.000000751 -0.000000554 -0.000000398 -0.000001334 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0366,-1.1555,-.3899;-.2305,-.0222,1.3993;1.6422,1.195,-.8308;2.4043,.2214,.0402;1.086,-.2158,-.5993;.9842,2.3864,-.1591;2.1289,1.4976,-2.2365;3.6705,-.4233,-.369;-.0932,-.4322,.2683;4.7405,-.6628,.4028;4.8483,-.3034,1.8625;5.9651,-1.3398,-.1608;-2.3256,-1.3122,.2937;-3.2106,-.1278,-.0581;-2.8722,-2.6015,-.1173;-3.6489,-.0522,-1.496;-3.4726,.7687,.8991;-4.2405,2.0528,.7742;-3.359,-3.6521,-.4372;-3.3136,3.2764,.8941;2.2916,.4219,1.0991;1.1392,-.8824,-1.4514;.1196,2.7264,-.739;.6445,2.1553,.8498;1.6974,3.215,-.1045;2.9093,2.2648,-2.2089;2.5392,.6218,-2.7409;1.3035,1.878,-2.8462;3.7256,-.7377,-1.4082;3.9582,.1828,2.26;5.0382,-1.2012,2.4623;5.7001,.3672,2.0265;6.1809,-2.268,.3817;5.8506,-1.5832,-1.2192;6.8495,-.7007,-.0506;-2.1356,-1.3244,1.3684;-4.3279,-.8757,-1.7381;-4.1504,.8863,-1.7292;-2.7821,-.1507,-2.1566;-3.0385,.5933,1.8815;-4.99,2.0942,1.5739;-4.7922,2.0983,-.1675;-3.781,-4.5862,-.718;-2.5817,3.2874,.0818;-3.8849,4.208,.855;-2.7587,3.2576,1.8364; Gaussian 16 GINC-HAMILTON28 APULGAR Optimization Empenthrin_EZ CONF50 gas EM64L-G16RevC.01 132 C1[X(C18H26O2)] RB3LYP 6-311+G(d,p) Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk RB3LYP/6-311+G(d,p) Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0366,-1.1555,-.3899;-.2305,-.0222,1.3993;1.6422,1.195,-.8308;2.4043,.2214,.0402;1.086,-.2158,-.5993;.9842,2.3864,-.1591;2.1289,1.4976,-2.2365;3.6705,-.4233,-.369;-.0932,-.4322,.2683;4.7405,-.6628,.4028;4.8483,-.3034,1.8625;5.9651,-1.3398,-.1608;-2.3256,-1.3122,.2937;-3.2106,-.1278,-.0581;-2.8722,-2.6015,-.1173;-3.6489,-.0522,-1.496;-3.4726,.7687,.8991;-4.2405,2.0528,.7742;-3.359,-3.6521,-.4372;-3.3136,3.2764,.8941;2.2916,.4219,1.0991;1.1392,-.8824,-1.4514;.1196,2.7264,-.739;.6445,2.1553,.8498;1.6974,3.215,-.1045;2.9093,2.2648,-2.2089;2.5392,.6218,-2.7409;1.3035,1.878,-2.8462;3.7256,-.7377,-1.4082;3.9582,.1828,2.26;5.0382,-1.2012,2.4623;5.7001,.3672,2.0265;6.1809,-2.268,.3817;5.8506,-1.5832,-1.2192;6.8495,-.7007,-.0506;-2.1356,-1.3244,1.3684;-4.3279,-.8757,-1.7381;-4.1504,.8863,-1.7292;-2.7821,-.1507,-2.1566;-3.0385,.5933,1.8815;-4.99,2.0942,1.5739;-4.7922,2.0983,-.1675;-3.781,-4.5862,-.7179;-2.5817,3.2874,.0818;-3.8849,4.208,.855;-2.7587,3.2576,1.8364; Optimization Empenthrin_EZ CONF50 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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: "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 1 2 3 3 3 3 4 4 4 5 5 6 6 6 7 7 7 8 8 10 10 11 11 11 12 12 12 13 13 13 14 14 15 16 16 16 17 17 18 18 18 19 20 20 20 9 13 9 4 5 6 7 5 8 21 9 22 23 24 25 26 27 28 10 29 11 12 30 31 32 33 34 35 14 15 36 16 17 19 37 38 39 18 40 20 41 42 43 44 45 46 1.3589 1.4674 1.2109 1.5124 1.534 1.5178 1.518 1.529 1.4786 1.0837 1.4798 1.0832 1.0953 1.0893 1.0947 1.0947 1.0908 1.0943 1.3409 1.0871 1.5072 1.5085 1.0894 1.0963 1.0964 1.0966 1.0921 1.0966 1.5198 1.4595 1.0914 1.5051 1.3374 1.2012 1.0945 1.0893 1.0943 1.5014 1.0883 1.5397 1.0968 1.0924 1.0627 1.0934 1.0936 1.0937 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 9 4 4 5 5 6 3 3 5 5 8 3 3 4 4 9 3 3 3 23 23 24 3 3 3 26 26 27 4 4 10 1 1 2 8 8 11 10 10 10 30 30 31 10 10 10 33 33 34 1 1 1 14 14 15 13 13 16 14 14 14 37 37 38 14 14 18 17 17 17 20 20 41 18 18 18 44 44 45 1 3 3 3 3 3 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 13 13 13 13 13 14 14 14 16 16 16 16 16 16 17 17 17 18 18 18 18 18 18 20 20 20 20 20 20 13 6 7 6 7 7 8 21 8 21 21 9 22 9 22 22 23 24 25 24 25 25 26 27 28 27 28 28 10 29 29 2 5 5 11 12 12 30 31 32 31 32 32 33 34 35 34 35 35 14 15 36 15 36 36 16 17 17 37 38 39 38 39 39 18 40 40 20 41 42 41 42 42 44 45 46 45 46 46 116.1722 117.9611 120.0067 119.859 116.0624 113.1006 123.5597 113.0309 119.8655 111.833 116.1158 120.7937 115.4332 118.924 117.5555 114.2203 110.5877 112.2485 109.5004 108.0616 107.8003 108.5154 110.1746 112.8769 110.0832 107.8298 107.9406 107.7736 127.012 115.724 117.263 123.6367 110.3133 126.0448 124.8856 120.8611 114.2533 113.6643 110.3038 110.2606 107.9025 107.8925 106.5282 110.7806 112.1447 110.8327 108.1459 106.5501 108.172 108.6935 106.9831 107.878 113.9021 109.7551 109.4274 115.4587 118.088 126.3715 110.7418 112.4509 109.9735 108.3737 106.8671 108.2408 127.8783 117.3809 114.6439 111.4223 108.7372 111.4515 108.9418 109.7549 106.3699 110.6796 111.0797 111.0296 108.335 107.501 108.0844 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A80 A81 A82 A83 13 15 13 15 15 19 15 19 19 43 19 43 37 37 37 37 -1 -1 -2 -2 179.2626 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 180.4765 181.9248 179.7018 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 13 13 9 9 9 6 6 7 7 6 6 7 7 4 4 4 5 5 5 7 7 7 4 4 4 5 5 5 6 6 6 8 8 21 21 3 3 5 5 21 21 3 3 4 4 22 22 4 4 29 29 8 8 8 12 12 12 8 8 8 11 11 11 1 1 15 15 36 36 13 13 13 17 17 17 13 13 16 16 14 14 14 40 40 40 17 17 17 41 41 41 42 42 42 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 8 8 8 8 10 10 10 10 10 10 10 10 10 10 10 10 13 13 13 13 13 13 14 14 14 14 14 14 14 14 14 14 17 17 17 17 17 17 18 18 18 18 18 18 18 18 18 9 9 13 13 13 4 4 4 4 5 5 5 5 6 6 6 6 6 6 6 6 6 7 7 7 7 7 7 7 7 7 5 5 5 5 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 14 14 14 14 16 16 16 16 16 16 17 17 17 17 18 18 18 18 18 18 20 20 20 20 20 20 20 20 20 2 5 14 15 36 8 21 8 21 9 22 9 22 23 24 25 23 24 25 23 24 25 26 27 28 26 27 28 26 27 28 9 22 9 22 10 29 10 29 10 29 1 2 1 2 1 2 11 12 11 12 30 31 32 30 31 32 33 34 35 33 34 35 16 17 16 17 16 17 37 38 39 37 38 39 18 40 18 40 20 41 42 20 41 42 44 45 46 44 45 46 44 45 46 6.1409 -173.0789 87.3194 -149.2738 -31.6322 -141.5933 7.2772 3.4429 152.3135 0.3263 144.6415 -141.3371 2.978 -153.1536 -32.3902 88.197 -83.2184 37.545 158.1322 59.4966 -179.74 -59.1528 -83.2853 37.3176 157.7842 -152.4631 -31.8603 88.6064 63.328 -176.0691 -55.6024 135.3482 -9.4392 -5.6274 -150.4148 140.8205 -39.5618 -146.5703 33.0474 -7.1833 172.4344 127.5025 -51.6942 -163.1192 17.6841 -17.2127 163.5906 -0.2524 179.7006 -179.865 0.088 0.0812 121.4129 -121.2056 -179.8745 -58.5429 58.8386 -120.8041 0.1314 121.1367 59.1537 -179.9109 -58.9055 67.1292 -109.7938 -52.0298 131.0472 -175.1042 7.9727 67.2822 -171.3061 -50.6066 -116.0894 5.3223 126.0217 175.8546 -0.3509 -0.6947 -176.9002 -109.5833 130.3308 13.3915 66.7098 -53.3761 -170.3155 62.5921 -177.0204 -56.7147 -177.4428 -57.0552 63.2504 -61.3479 59.0396 179.3452 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00080 0.00085 0.00113 0.00118 0.00178 0.00234 0.00258 0.00261 0.00315 0.00356 0.00561 0.01448 0.01450 0.01828 0.01885 0.01894 0.01949 0.02089 0.02160 0.02447 0.02685 0.02882 0.02939 0.03463 0.03550 0.04109 0.04288 0.04385 0.04433 0.04549 0.04580 0.04585 0.04608 0.04739 0.05238 0.05532 0.05576 0.05639 0.05843 0.05904 0.06001 0.06061 0.06309 0.06409 0.07580 0.07807 0.08975 0.09124 0.09562 0.10706 0.11154 0.11938 0.12048 0.12051 0.12090 0.12149 0.12367 0.12544 0.13047 0.13075 0.13747 0.13864 0.14035 0.14141 0.14199 0.14403 0.14610 0.14643 0.14673 0.15016 0.15748 0.16014 0.16115 0.16726 0.17111 0.17184 0.18239 0.18985 0.19448 0.20869 0.21232 0.21327 0.21814 0.23217 0.23593 0.25069 0.25450 0.25916 0.27641 0.28141 0.29767 0.30372 0.30996 0.31664 0.31724 0.31988 0.32148 0.32238 0.32371 0.32526 0.32700 0.32873 0.32898 0.32932 0.33117 0.33192 0.33281 0.33315 0.33324 0.33562 0.33673 0.33702 0.34057 0.34151 0.34161 0.34367 0.34378 0.34786 0.34874 0.34986 0.35023 0.35519 0.35572 0.36954 0.37001 0.38475 0.41183 0.47040 0.61499 0.62228 0.83486 1.09250 Angle between quadratic step and forces= 78.24 degrees. 1 2 0.00092696 0.00000077 0.00000052 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 A80 A81 A82 A83 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 2.56787 2.77295 2.28818 2.85798 2.89881 2.86819 2.86867 2.88941 2.79419 2.04781 2.79647 2.04702 2.06972 2.05840 2.06862 2.06869 2.06134 2.06799 2.53385 2.05431 2.84811 2.85064 2.05870 2.07166 2.07190 2.07233 2.06378 2.07236 2.87195 2.75801 2.06253 2.84431 2.52736 2.27002 2.06827 2.05846 2.06784 2.83715 2.05654 2.90967 2.07259 2.06426 2.00830 2.06620 2.06651 2.06682 2.02759 2.05881 2.09451 2.09193 2.02567 1.97398 2.15652 1.97276 2.09205 1.95185 2.02660 2.10825 2.01469 2.07562 2.05173 1.99352 1.93012 1.95911 1.91114 1.88603 1.88147 1.89395 1.92291 1.97007 1.92131 1.88198 1.88392 1.88100 2.21678 2.01977 2.04662 2.15787 1.92533 2.19990 2.17966 2.10942 1.99410 1.98382 1.92516 1.92441 1.88325 1.88308 1.85927 1.93349 1.95729 1.93440 1.88750 1.85965 1.88796 1.89706 1.86721 1.88283 1.98797 1.91559 1.90987 2.01514 2.06102 2.20560 1.93281 1.96264 1.91940 1.89148 1.86518 1.88916 2.23190 2.04868 2.00091 1.94469 1.89782 1.94520 1.90139 1.91558 1.85651 1.93172 1.93871 1.93783 1.89080 1.87625 1.88643 3.12872 3.14991 3.17519 3.13639 0.10718 -3.02080 1.52401 -2.60532 -0.55209 -2.47127 0.12701 0.06009 2.65837 0.00569 2.52447 -2.46680 0.05198 -2.67303 -0.56532 1.53933 -1.45243 0.65528 2.75993 1.03841 -3.13705 -1.03241 -1.45360 0.65131 2.75385 -2.66098 -0.55607 1.54647 1.10528 -3.07299 -0.97045 2.36227 -0.16475 -0.09822 -2.62523 2.45778 -0.69048 -2.55814 0.57679 -0.12537 3.00955 2.22534 -0.90223 -2.84697 0.30865 -0.30042 2.85519 -0.00441 3.13637 -3.13924 0.00154 0.00142 2.11905 -2.11544 -3.13940 -1.02177 1.02693 -2.10843 0.00229 2.11423 1.03243 -3.14004 -1.02810 1.17163 -1.91626 -0.90809 2.28720 -3.05615 0.13915 1.17430 -2.98986 -0.88325 -2.02614 0.09289 2.19949 3.06924 -0.00612 -0.01212 -3.08749 -1.91259 2.27470 0.23373 1.16430 -0.93159 -2.97257 1.09244 -3.08959 -0.98986 -3.09696 -0.99580 1.10393 -1.07072 1.03044 3.13017 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 -0.00000 0.00002 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -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 -0.00000 0.00000 0.00003 -0.00001 0.00003 -0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00003 -0.00003 0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00002 0.00001 -0.00001 0.00002 0.00003 -0.00001 0.00001 -0.00000 -0.00002 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00002 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00002 0.00001 -0.00001 -0.00001 0.00002 -0.00000 -0.00001 -0.00009 0.00002 0.00007 -0.00003 0.00003 -0.00001 0.00000 -0.00001 0.00002 -0.00003 0.00000 -0.00001 0.00001 0.00000 0.00002 0.00001 -0.00000 0.00001 0.00000 0.00007 0.00007 -0.00010 -0.00009 -0.00008 0.00002 0.00000 0.00001 -0.00000 0.00005 0.00004 0.00001 0.00000 -0.00008 -0.00009 -0.00008 -0.00010 -0.00011 -0.00010 -0.00008 -0.00008 -0.00007 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00004 -0.00004 -0.00004 -0.00002 0.00001 -0.00005 -0.00003 0.00006 0.00008 0.00006 0.00008 0.00009 0.00011 -0.00002 -0.00002 0.00001 0.00001 -0.00001 -0.00001 0.00003 0.00004 0.00001 0.00002 0.00025 0.00024 0.00023 0.00024 0.00023 0.00023 0.00007 0.00007 0.00007 0.00008 0.00008 0.00008 0.00007 0.00014 0.00006 0.00014 0.00006 0.00013 -0.00043 -0.00040 -0.00042 -0.00051 -0.00048 -0.00050 -0.00017 0.00001 -0.00008 0.00009 0.00186 0.00185 0.00182 0.00169 0.00168 0.00164 0.00005 0.00005 0.00008 0.00008 0.00008 0.00010 0.00010 0.00010 0.00012 -0.00003 -0.00000 0.00002 0.00002 0.00001 0.00001 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 0.00001 -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 -0.00000 0.00000 0.00003 -0.00001 0.00003 -0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00003 -0.00003 0.00001 -0.00000 0.00001 0.00001 -0.00001 -0.00002 0.00001 -0.00001 0.00002 0.00003 -0.00001 0.00001 -0.00000 -0.00002 0.00000 -0.00000 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00002 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 0.00000 0.00001 0.00000 -0.00000 -0.00000 -0.00001 0.00000 0.00000 0.00000 -0.00001 0.00001 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00000 -0.00002 0.00001 -0.00001 -0.00001 0.00002 -0.00000 -0.00001 -0.00009 0.00002 0.00007 -0.00003 0.00003 -0.00001 0.00000 -0.00001 0.00002 -0.00003 0.00000 -0.00001 0.00001 0.00000 0.00002 0.00001 -0.00000 0.00001 0.00000 0.00007 0.00007 -0.00010 -0.00009 -0.00008 0.00002 0.00000 0.00001 -0.00000 0.00005 0.00004 0.00001 0.00000 -0.00008 -0.00009 -0.00008 -0.00010 -0.00011 -0.00010 -0.00008 -0.00008 -0.00007 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 -0.00001 -0.00004 -0.00004 -0.00004 -0.00002 0.00001 -0.00005 -0.00003 0.00006 0.00008 0.00006 0.00008 0.00009 0.00011 -0.00002 -0.00002 0.00001 0.00001 -0.00001 -0.00001 0.00003 0.00004 0.00001 0.00002 0.00025 0.00024 0.00023 0.00024 0.00023 0.00023 0.00007 0.00007 0.00007 0.00008 0.00008 0.00008 0.00007 0.00014 0.00006 0.00014 0.00006 0.00013 -0.00043 -0.00040 -0.00042 -0.00051 -0.00048 -0.00050 -0.00017 0.00001 -0.00008 0.00009 0.00186 0.00185 0.00182 0.00169 0.00168 0.00164 0.00005 0.00005 0.00008 0.00008 0.00008 0.00010 0.00010 0.00010 0.00012 2.56784 2.77295 2.28820 2.85800 2.89881 2.86820 2.86866 2.88940 2.79418 2.04781 2.79646 2.04702 2.06972 2.05839 2.06862 2.06869 2.06134 2.06799 2.53385 2.05431 2.84811 2.85064 2.05870 2.07166 2.07190 2.07233 2.06378 2.07236 2.87196 2.75800 2.06253 2.84431 2.52736 2.27002 2.06827 2.05846 2.06784 2.83718 2.05652 2.90969 2.07256 2.06426 2.00830 2.06619 2.06651 2.06682 2.02762 2.05878 2.09452 2.09193 2.02568 1.97399 2.15651 1.97274 2.09206 1.95185 2.02662 2.10827 2.01468 2.07563 2.05173 1.99350 1.93012 1.95910 1.91114 1.88603 1.88147 1.89396 1.92291 1.97007 1.92131 1.88199 1.88392 1.88101 2.21677 2.01977 2.04663 2.15787 1.92534 2.19988 2.17966 2.10943 1.99410 1.98381 1.92515 1.92441 1.88326 1.88309 1.85927 1.93349 1.95729 1.93439 1.88751 1.85965 1.88796 1.89704 1.86721 1.88283 1.98798 1.91558 1.90987 2.01514 2.06103 2.20558 1.93282 1.96263 1.91939 1.89150 1.86518 1.88915 2.23181 2.04870 2.00098 1.94465 1.89786 1.94518 1.90140 1.91558 1.85652 1.93170 1.93871 1.93782 1.89082 1.87625 1.88645 3.12873 3.14991 3.17519 3.13639 0.10725 -3.02072 1.52391 -2.60541 -0.55217 -2.47125 0.12702 0.06010 2.65837 0.00574 2.52451 -2.46678 0.05198 -2.67312 -0.56540 1.53925 -1.45254 0.65518 2.75982 1.03834 -3.13714 -1.03249 -1.45362 0.65130 2.75384 -2.66100 -0.55608 1.54646 1.10524 -3.07302 -0.97048 2.36226 -0.16474 -0.09827 -2.62526 2.45784 -0.69040 -2.55807 0.57687 -0.12528 3.00966 2.22532 -0.90225 -2.84696 0.30865 -0.30043 2.85518 -0.00437 3.13641 -3.13922 0.00156 0.00166 2.11929 -2.11520 -3.13916 -1.02154 1.02715 -2.10836 0.00237 2.11431 1.03250 -3.13996 -1.02802 1.17169 -1.91612 -0.90803 2.28734 -3.05609 0.13928 1.17387 -2.99025 -0.88367 -2.02665 0.09241 2.19899 3.06908 -0.00612 -0.01221 -3.08740 -1.91073 2.27655 0.23554 1.16599 -0.92991 -2.97092 1.09249 -3.08953 -0.98978 -3.09688 -0.99573 1.10403 -1.07063 1.03053 3.13028 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000001 0.005995 0.000927 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -9.939869e-09 6-311+G(d,p) (5D, 7F) 0.10000e-02 0.10000e-05 F 616 A 596 A 596 928 616 75 75 1540.1498999282 46 46 46 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 -0.0442397066 0.000000 2.266165 0.000000 3.591026 3.156241 0.000000 3.731045 2.974635 1.512380 0.000000 2.330784 2.400996 1.533982 1.529008 0.000000 4.084369 3.115293 1.517780 2.596825 2.641037 0.000000 4.524316 4.592974 1.518033 2.624504 2.589150 2.532992 0.000000 4.763788 4.301779 2.635531 1.478621 2.603039 3.892868 3.090984 0.000000 1.358859 1.210854 2.620547 2.591608 1.479828 3.047574 3.864656 3.817243 0.000000 5.852042 5.110202 3.817405 2.524128 3.815690 4.870627 4.295814 1.340858 4.841039 0.000000 6.358627 5.107645 4.447271 3.093468 4.497016 5.123768 5.238415 2.526077 5.193894 1.507157 0.000000 7.007931 6.523455 5.055817 3.893215 5.026099 6.220407 5.203461 2.479626 6.140903 1.508492 2.532762 0.000000 1.467383 2.697383 4.826356 4.978719 3.693015 4.983863 5.842845 6.097723 2.399723 7.096701 7.412412 8.303208 0.000000 2.427431 3.319062 5.088879 5.626585 4.331428 4.891594 5.991446 6.894452 3.149214 7.982398 8.286484 9.255989 1.519769 0.000000 2.352525 3.991438 5.941552 5.986190 4.646636 6.304943 6.804702 6.900328 3.546469 7.872860 8.295013 8.927035 1.459478 2.497437 0.000000 3.043805 4.479857 5.476635 6.251041 4.821814 5.403646 6.027640 7.414936 3.987511 8.623232 9.140312 9.791316 2.557685 1.505145 3.000526 0.000000 3.361271 3.374434 5.416201 5.964445 4.898440 4.857895 6.460604 7.352026 3.641505 8.351656 8.444813 9.728265 2.452013 1.337420 3.571035 2.538042 0.000000 4.681159 4.558124 6.157797 6.931529 5.950146 5.317891 7.066954 8.367910 4.861236 9.389946 9.452143 10.795303 3.901383 2.551169 4.932506 3.151960 1.501356 0.000000 3.410017 5.131887 6.975711 6.960351 5.620699 7.443337 7.737747 7.735825 4.640118 8.674249 9.157618 9.610516 2.660309 3.547701 1.201245 3.763565 4.619792 5.898319 0.000000 5.145372 4.543256 5.645123 6.538811 5.812153 4.513553 6.525721 8.003760 4.951391 8.979246 8.964896 10.417085 4.731957 3.536350 5.980580 4.111481 2.512661 1.539729 7.055350 0.000000 3.972709 2.578372 2.178066 1.083656 2.178210 2.674175 3.508588 2.184323 2.665856 2.767486 2.765131 4.264519 4.997384 5.649342 6.106154 6.499874 5.777998 6.740405 7.133464 6.293434 0.000000 2.436272 3.277538 2.225698 2.245812 1.083235 3.518394 2.694517 2.791068 2.162993 4.056576 5.007484 5.016443 3.903127 4.629378 4.563525 4.859700 5.433157 6.519942 5.378902 6.528686 3.087801 0.000000 4.065488 3.499937 2.161558 3.478853 3.099981 1.095251 2.791079 4.760981 3.322166 5.843279 6.189419 7.144150 4.832739 4.438490 6.141967 4.742866 4.406701 4.664080 7.271618 3.841306 3.661551 3.817198 0.000000 3.914706 2.410243 2.177627 2.737222 2.813646 1.089257 3.487279 4.158269 2.752773 4.991882 4.974238 6.445592 4.599401 4.571544 5.994175 5.367417 4.344590 4.886698 7.170107 4.114030 2.404077 3.842913 1.767997 0.000000 5.163146 4.056801 2.147368 3.079373 3.519761 1.094667 2.771516 4.147337 4.080120 4.955350 5.116320 6.241996 6.069470 5.938450 7.396838 6.418223 5.806887 6.114062 8.534316 5.109875 3.098885 4.349113 1.769435 1.772590 0.000000 5.529684 5.301635 2.156164 3.080429 3.473944 2.814685 1.094703 3.345255 4.735482 4.329602 5.189605 5.150329 6.816243 6.913984 7.840949 6.991823 7.254338 7.750038 8.799926 7.026766 3.836784 3.689454 3.186892 3.807419 2.607691 0.000000 4.633896 5.022700 2.186724 2.813050 2.720315 3.492562 1.090813 2.828111 4.134702 4.047084 5.232544 4.716094 6.051073 6.389061 6.823206 6.347967 7.029450 7.769749 7.639470 7.383472 3.853252 2.426061 3.780521 4.339920 3.792683 1.766211 0.000000 4.551062 4.897744 2.154733 3.505310 3.078923 2.753331 1.094333 4.127364 4.121616 5.368837 6.284554 6.268634 5.762517 5.672233 6.704434 5.484070 6.169978 6.623754 7.623914 6.104299 4.319931 3.097198 2.561606 3.764439 3.075598 1.770301 1.765281 0.000000 4.887807 4.903524 2.899830 2.182530 2.809706 4.339954 2.869177 1.087094 4.181743 2.077279 3.485131 2.633203 6.312178 7.092669 6.976480 7.406827 7.707579 8.718304 7.721919 8.423971 3.112524 2.590880 5.044959 4.791754 4.630003 3.212855 2.243200 3.843997 0.000000 5.810432 4.281080 3.992654 2.709912 4.072307 4.421759 5.029293 2.713235 4.556155 2.185502 1.089419 3.493760 6.751809 7.540638 7.749695 8.487053 7.577005 8.539472 8.690328 8.019603 2.045088 4.780783 5.495346 4.106075 4.460517 5.040448 5.216857 5.999479 3.789033 0.000000 6.711262 5.502673 5.302739 3.850705 5.095535 6.014741 6.150337 3.239111 5.633499 2.149421 1.096277 2.785479 7.677305 8.691816 8.437417 9.615321 8.874558 9.976620 9.215585 9.605231 3.469430 5.533638 7.061705 5.759441 6.103474 6.194005 6.053252 7.183953 4.113165 1.767176 0.000000 7.317172 5.976353 5.031470 3.850839 5.340813 5.576128 5.674908 3.237632 6.106735 2.148972 1.096403 2.787106 8.380597 9.164656 9.321641 9.999357 9.250396 10.159971 10.212292 9.538967 3.532862 5.870184 6.660043 5.490073 5.354689 5.415547 5.725741 6.734600 4.112886 1.767166 1.757216 0.000000 7.343460 6.869184 5.836319 4.536180 5.579675 6.997276 6.119993 3.204510 6.538162 2.156846 2.797908 1.096632 8.560515 9.642354 9.072995 10.249941 10.133107 11.288496 9.674503 11.006762 4.783093 5.540724 7.933540 7.101915 7.099462 6.161314 5.600359 7.169248 3.402085 3.804653 2.602454 3.143379 0.000000 6.950126 6.802395 5.057572 4.088934 4.995541 6.368868 4.937287 2.611691 6.234212 2.170309 3.484149 1.092107 8.319370 9.250464 8.850855 9.626009 9.845792 10.909803 9.471407 10.585966 4.697009 4.768883 7.186635 6.734982 6.443123 4.943423 4.259368 5.941562 2.294750 4.336476 3.789394 3.789604 1.772366 0.000000 7.906521 7.258697 5.596260 4.540751 5.809845 6.628979 5.647581 3.206925 6.955169 2.157508 2.796842 1.096646 9.201880 10.076400 9.905985 10.617243 10.469292 11.456450 10.633570 10.954339 4.832913 5.882448 7.583623 6.889794 6.471463 5.383133 5.250281 6.724794 3.406305 3.805157 3.137782 2.603002 1.757946 1.772669 0.000000 2.080335 2.307834 5.045344 4.976335 3.934380 5.082904 6.256561 6.127076 2.485505 6.975008 7.075431 8.243806 1.091443 2.149944 2.093081 3.480434 2.527635 4.023552 3.189837 4.772799 4.766731 4.344013 5.092712 4.484033 6.121065 7.150506 6.521356 6.312334 6.512100 6.340385 7.257794 8.043167 8.427856 8.398907 9.117802 0.000000 3.567735 5.230758 6.383851 7.049022 5.571638 6.430647 6.897190 8.127380 4.706968 9.320167 9.873997 10.423566 2.885849 2.151789 2.779326 1.094482 3.223462 3.859436 3.215529 5.019649 7.317888 5.474629 5.809785 6.372566 7.463729 7.903240 7.099726 6.365875 8.061520 9.260934 10.270082 10.783245 10.810598 10.216261 11.305470 3.828584 0.000000 3.957040 5.096907 5.869971 6.821764 5.469073 5.574914 6.329294 8.045580 4.710557 9.273239 9.761790 10.475620 3.500742 2.168933 4.049270 1.089291 2.716878 2.763359 4.784579 3.646185 7.050797 5.584329 4.753846 5.590426 6.500719 7.208935 6.770842 5.654760 8.048093 9.064066 10.312947 10.554930 11.006444 10.313925 11.239822 4.305997 1.770888 0.000000 2.679139 4.378588 4.810772 5.644766 4.170369 4.961092 5.180849 6.701230 3.631798 7.962597 8.625582 9.050511 2.749814 2.141970 3.189546 1.094252 3.264927 3.946172 3.943168 4.618919 6.055601 4.050844 4.325222 5.108659 5.967054 6.182982 5.408789 4.613460 6.576909 8.065333 9.143089 9.471790 9.553160 8.800799 9.874525 3.771119 1.757918 1.769219 0.000000 3.496490 2.914881 5.443192 5.757876 4.880640 4.854029 6.669204 7.149084 3.511338 8.017356 7.937702 9.432591 2.580783 2.076483 3.772266 3.492433 1.088272 2.191116 4.847951 2.872214 5.389929 5.544304 4.625019 4.131525 5.766010 7.409578 7.244282 6.546395 7.638559 7.018940 8.294071 8.742759 9.769108 9.662713 10.157792 2.180859 4.113670 3.789421 4.114152 0.000000 5.481471 5.211798 7.111796 7.780447 6.853924 6.227334 8.096514 9.225890 5.662737 10.181149 10.130404 11.611048 4.510175 3.281323 5.421751 3.978676 2.124819 1.096766 6.302772 2.161019 7.486198 7.455161 5.644153 5.681208 6.985313 8.759956 8.801997 7.693638 9.637148 9.175742 10.593152 10.838176 12.051592 11.783161 12.272919 4.458353 4.497527 3.615879 4.881724 2.481079 0.000000 4.974067 5.268830 6.531278 7.440112 6.332009 5.783573 7.248639 8.832683 5.354846 9.940898 10.140455 11.293375 4.234203 2.732982 5.077164 2.774321 2.155662 1.092361 5.932478 2.168179 7.388778 6.761234 4.984593 5.531356 6.585260 7.969138 7.909013 6.661949 9.062861 9.280659 10.697654 10.858100 11.822707 11.310518 11.974018 4.596905 3.395160 2.078479 3.613219 3.088530 1.752560 0.000000 4.405513 6.157828 7.927531 7.870528 6.542364 8.463795 8.616545 8.542632 5.641652 9.448030 9.973296 10.287735 3.722985 4.542851 2.263968 4.602148 5.602229 6.820043 1.062748 8.039677 8.078309 6.201925 8.287869 8.215294 9.552373 9.691148 8.435681 8.495173 8.463891 9.565904 9.967526 11.043524 10.287084 10.101355 11.338014 4.207065 3.886824 5.577310 4.768709 5.842543 7.165294 6.782907 0.000000 4.727544 4.268210 4.801359 5.853440 5.117443 3.685903 5.546896 7.284442 4.479219 8.326025 8.442201 9.722059 4.611594 3.475471 5.899451 3.844640 2.793782 2.180663 7.002154 1.093384 5.744119 5.795123 2.878426 3.504300 4.283805 6.036898 6.426348 5.065050 7.629172 7.559986 9.158502 8.994341 10.379669 9.824408 10.240646 4.808646 4.867516 3.392061 4.107520 3.271997 3.074034 2.522327 8.004436 0.000000 6.199179 5.616538 6.516878 7.490742 6.811336 5.296716 7.284901 8.946030 6.021054 9.916019 9.881171 11.350456 5.763569 4.481917 6.952712 4.871546 3.464134 2.185821 7.982919 1.093552 7.248634 7.514871 4.557596 4.972863 5.750580 7.702248 8.189122 6.785836 9.354256 8.926933 10.557710 10.392149 11.978505 11.516066 11.838213 5.825010 5.723985 4.216937 5.411522 3.851753 2.491146 2.513794 8.934289 1.773018 0.000000 5.234345 4.164195 5.544138 6.253191 5.725304 4.330236 6.601196 7.729713 4.814511 8.582791 8.399376 10.061364 4.842622 3.905733 6.177359 4.780431 2.753665 2.185317 7.298910 1.093717 5.838701 6.568390 3.898663 3.710921 4.860702 7.033985 7.481238 6.350769 8.278720 7.399389 9.003655 8.941084 10.609782 10.338808 10.561621 4.647834 5.685423 4.502675 5.249977 2.679370 2.530018 3.081328 8.312338 1.763786 1.770483 0.000000 C18H26O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0002,1.3003,.2885;-.2662,-.0118,-1.4071;1.5263,-1.173,.9167;2.3479,-.3168,-.0209;1.0595,.2483,.5778;.7952,-2.368,.3327;1.9929,-1.3993,2.3435;3.6519,.2765,.3451;-.1037,.4724,-.3092;4.735,.3904,-.4372;4.8203,-.0833,-1.8654;5.9994,1.0299,.0802;-2.2767,1.4855,-.4111;-3.2341,.3883,.0239;-2.7416,2.8335,-.1001;-3.6765,.4479,1.4613;-3.5515,-.5594,-.8649;-4.3983,-1.78,-.6482;-3.1618,3.9334,.138;-3.5497,-3.0646,-.6718;2.2231,-.5886,-1.0624;1.1541,.9723,1.378;-.0891,-2.6091,.9322;.4708,-2.1924,-.6922;1.4552,-3.2413,.3436;2.7238,-2.2136,2.377;2.4572,-.5155,2.783;1.1453,-1.6809,2.9758;3.7265,.6637,1.3582;3.9015,-.5415,-2.2298;5.0661,.7535,-2.5297;5.6285,-.8161,-1.9747;6.273,1.8997,-.5291;5.9002,1.3585,1.1169;6.8421,.3305,.0223;-2.0861,1.4053,-1.4827;-4.3028,1.328,1.638;-4.2357,-.4373,1.7616;-2.8054,.5414,2.1169;-3.1072,-.4853,-1.8556;-5.1488,-1.8344,-1.4461;-4.9519,-1.7205,.2916;-3.5247,4.9103,.3462;-2.8201,-3.0604,.1425;-4.1782,-3.9532,-.566;-2.9946,-3.1511,-1.6103; 0.5026710 0.1640593 0.1429654 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= 596 RedAO= T EigKep= 1.87D-06 NBF= 596 NBsUse= 595 1.00D-06 EigRej= 2.98D-07 NBFU= 595 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= 611 610 610 611 611 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -852.197394295805 -852.197394296 1 8.483101104887e+02 -5.061339303686e+03 1.820726138680e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414806594 LenY= 1414426522 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= 46. Will process 47 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: Closed shell wavefunction. IDoAtm=1111111111111111111111111111111111111111111111 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. 14283 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1415577600 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= 770000000 NMat= 138 IRICut= 345 DoRegI=T DoRafI=T ISym2E= 2 IDoP0=3 IntGTp=3. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 138 NMatS0= 138 NMatT0= 0 NMatD0= 138 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Raff kept on since 75.19% of shell-pairs survive, threshold= 0.20 IRatSp=75. There are 141 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 138 vectors produced by pass 0 Test12= 3.90D-14 1.00D-09 XBig12= 1.90D+02 5.34D+00. AX will form 138 AO Fock derivatives at one time. 138 vectors produced by pass 1 Test12= 3.90D-14 1.00D-09 XBig12= 3.68D+01 1.32D+00. 138 vectors produced by pass 2 Test12= 3.90D-14 1.00D-09 XBig12= 6.17D-01 8.54D-02. 138 vectors produced by pass 3 Test12= 3.90D-14 1.00D-09 XBig12= 2.08D-03 4.55D-03. 138 vectors produced by pass 4 Test12= 3.90D-14 1.00D-09 XBig12= 4.32D-06 1.38D-04. 103 vectors produced by pass 5 Test12= 3.90D-14 1.00D-09 XBig12= 5.66D-09 5.27D-06. 26 vectors produced by pass 6 Test12= 3.90D-14 1.00D-09 XBig12= 6.50D-12 2.03D-07. 3 vectors produced by pass 7 Test12= 3.90D-14 1.00D-09 XBig12= 7.63D-15 6.02D-09. InvSVY: IOpt=1 It= 1 EMax= 1.78D-14 Solved reduced A of dimension 822 with 141 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 227.23 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 263.274 1.800 228.390 -9.751 9.182 190.012 318.955 -5.946 324.923 -17.082 26.455 299.853 (Enter /usr/local/gaussian/gaussian16/g16/l716.exe) PT68294.300S Wed Oct 9 22:43:59 2024 -19.16787 -19.11016 -10.30262 -10.25883 -10.20259 -10.18960 -10.18651 -10.18548 -10.18124 -10.17968 -10.17504 -10.17380 -10.17339 -10.16843 -10.16662 -10.16546 -10.16502 -10.16500 -10.16350 -10.16086 -1.10652 -1.02262 -0.88784 -0.83756 -0.81191 -0.79189 -0.75543 -0.74533 -0.72335 -0.70178 -0.69570 -0.69389 -0.68912 -0.64515 -0.61978 -0.57265 -0.55218 -0.54582 -0.54085 -0.53212 -0.50176 -0.49869 -0.49298 -0.47453 -0.46971 -0.45601 -0.45039 -0.44073 -0.43682 -0.43181 -0.42572 -0.41347 -0.41255 -0.40340 -0.39734 -0.38962 -0.38810 -0.38518 -0.38116 -0.37932 -0.37626 -0.37137 -0.36678 -0.35791 -0.35228 -0.34200 -0.33385 -0.32364 -0.31176 -0.29812 -0.29029 -0.28295 -0.27584 -0.25211 -0.23000 -0.01463 -0.01148 -0.00222 0.00545 0.01198 0.01400 0.01471 0.01874 0.02065 0.02591 0.02830 0.03400 0.03545 0.04025 0.04061 0.04448 0.04776 0.05234 0.05321 0.05676 0.05841 0.06609 0.06677 0.06974 0.07521 0.07776 0.08082 0.08363 0.08574 0.08874 0.09423 0.09563 0.09848 0.10245 0.10805 0.10928 0.11552 0.11754 0.11832 0.12132 0.12575 0.12843 0.13236 0.13571 0.13804 0.14010 0.14679 0.14884 0.15040 0.15277 0.15742 0.15887 0.16247 0.16635 0.16784 0.16865 0.17401 0.17730 0.18294 0.18444 0.18876 0.19218 0.19288 0.19522 0.19834 0.20083 0.20479 0.20625 0.20992 0.21336 0.21592 0.21906 0.21993 0.22397 0.22759 0.22909 0.23182 0.23248 0.23546 0.23744 0.23873 0.24326 0.24621 0.24809 0.25157 0.25340 0.25926 0.26058 0.26373 0.26735 0.27079 0.27246 0.27432 0.27756 0.28290 0.28429 0.28538 0.28898 0.29020 0.29406 0.29804 0.30271 0.30911 0.31147 0.31370 0.31813 0.32523 0.32633 0.33759 0.34329 0.35379 0.35495 0.35799 0.36069 0.36718 0.37495 0.37702 0.38351 0.38879 0.39836 0.40539 0.41149 0.41397 0.42144 0.42743 0.43039 0.43295 0.44159 0.45068 0.45830 0.45948 0.46532 0.47734 0.48186 0.48752 0.49584 0.50157 0.50812 0.51669 0.52405 0.52508 0.52774 0.53969 0.54374 0.55533 0.56135 0.56621 0.57142 0.58046 0.58888 0.59582 0.60508 0.60883 0.61159 0.61680 0.62298 0.62546 0.63072 0.63445 0.63951 0.64598 0.64865 0.65176 0.65837 0.66110 0.66488 0.67085 0.67213 0.67695 0.68349 0.68722 0.69238 0.69300 0.69689 0.69785 0.70074 0.70710 0.71009 0.71542 0.71779 0.71919 0.72435 0.72895 0.73026 0.73644 0.74071 0.74229 0.74830 0.75293 0.75738 0.76603 0.76705 0.76949 0.77286 0.78292 0.79326 0.79657 0.80111 0.80564 0.81096 0.81865 0.83087 0.83912 0.85247 0.86145 0.86591 0.88258 0.89765 0.90340 0.91086 0.92164 0.93140 0.94045 0.94802 0.96364 0.97981 0.98628 1.00345 1.00717 1.01061 1.01362 1.03164 1.04712 1.05295 1.07419 1.07653 1.08074 1.09834 1.10365 1.13714 1.13870 1.14779 1.15970 1.17733 1.18049 1.19920 1.20763 1.22563 1.23419 1.24343 1.26225 1.27191 1.28014 1.29381 1.30806 1.31731 1.32831 1.33414 1.33776 1.35076 1.36893 1.37302 1.38776 1.39951 1.40582 1.41570 1.42440 1.43660 1.44863 1.45311 1.45694 1.46394 1.46571 1.47119 1.47738 1.48380 1.50258 1.50410 1.50747 1.50913 1.52000 1.52443 1.53400 1.54016 1.54851 1.55937 1.56742 1.57077 1.57762 1.57887 1.58268 1.59100 1.59662 1.60037 1.61108 1.61546 1.61622 1.62410 1.63070 1.63381 1.64196 1.65413 1.65656 1.67625 1.67718 1.68887 1.69010 1.69664 1.70399 1.71376 1.71431 1.72230 1.73276 1.73401 1.74359 1.75093 1.75444 1.76342 1.77393 1.77953 1.78202 1.78892 1.79811 1.80934 1.81571 1.82414 1.82809 1.84740 1.85006 1.86109 1.87022 1.88416 1.88821 1.90087 1.90597 1.92165 1.92528 1.95035 1.95835 1.97021 1.97252 1.98030 2.00172 2.01199 2.02255 2.03971 2.04304 2.04833 2.06322 2.06942 2.07767 2.09284 2.10358 2.11141 2.11834 2.13089 2.13520 2.13868 2.14608 2.16375 2.17227 2.17453 2.18274 2.20352 2.22070 2.23697 2.24719 2.26018 2.28218 2.30966 2.31997 2.34245 2.34562 2.35857 2.36917 2.38904 2.40805 2.42297 2.43125 2.44323 2.44603 2.46154 2.46265 2.46761 2.47464 2.48264 2.48748 2.50491 2.50911 2.51481 2.52303 2.53321 2.53644 2.54254 2.54570 2.54984 2.55170 2.56127 2.57027 2.57974 2.58403 2.58990 2.60667 2.61203 2.61940 2.62963 2.63300 2.63409 2.64432 2.65532 2.66461 2.66744 2.67691 2.68778 2.69400 2.70129 2.70398 2.71572 2.72188 2.73754 2.75172 2.75380 2.76497 2.77111 2.77714 2.79372 2.81484 2.82002 2.83375 2.84273 2.85383 2.87284 2.88151 2.88613 2.89319 2.90691 2.91851 2.93224 2.95631 2.96453 2.97286 2.98318 2.98902 2.99813 3.00422 3.03476 3.05370 3.05896 3.06259 3.07035 3.08782 3.09150 3.10124 3.12636 3.13310 3.15549 3.16730 3.18902 3.21277 3.22229 3.24159 3.27184 3.30606 3.32018 3.34061 3.35836 3.39254 3.41189 3.44189 3.46339 3.58439 3.60194 3.64236 3.65872 3.68461 3.70340 3.71536 3.76052 3.79384 3.80579 3.80924 3.81153 3.81733 3.82078 3.82721 3.83431 3.83821 3.84743 3.84917 3.88818 3.92125 4.03943 4.08368 4.10626 4.15608 4.19485 4.22266 4.27285 4.29036 4.31007 4.40154 4.44830 4.56311 4.59522 5.13435 5.14647 5.31310 5.39756 5.66410 5.91526 23.56269 23.69134 23.71866 23.80398 23.84284 23.87766 23.89030 23.89881 23.93253 23.96947 23.97598 23.98691 23.98816 23.99532 24.01326 24.25126 24.26692 25.14643 49.94051 50.03749 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 44 45 46 O O 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 H H H H H H H 0.153808 -0.219225 0.188649 0.654535 -0.078708 -0.545409 -0.510584 -0.032438 -0.738336 0.082417 -0.732828 -0.606245 -0.441641 0.944464 0.470657 -0.663119 -0.284381 -0.423240 -0.468667 -0.500375 0.145887 0.159415 0.132763 0.164525 0.144638 0.147472 0.127583 0.148469 0.089083 0.136319 0.146809 0.146766 0.143676 0.133790 0.144439 0.191074 0.166584 0.129234 0.164851 0.132303 0.147048 0.132394 0.152996 0.138049 0.140501 0.143997 -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 O O C C C C C C C C C C C C C C C C C C 0.153808 -0.219225 0.188649 0.800422 0.080707 -0.103483 -0.087060 0.056645 -0.738336 0.082417 -0.302934 -0.184340 -0.250567 0.944464 0.470657 -0.202450 -0.152078 -0.143797 -0.315671 -0.077827 0.00000 7.24499724e-02 -2.70722485e-01 5.22619809e-01 2.63274324e+02 1.80001490e+00 2.28390399e+02 -9.75143458e+00 9.18184020e+00 1.90011558e+02 -0.0008 -0.0007 0.0003 1.3324 2.9243 3.9134 13.5096 19.0062 22.5659 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 13.4597 18.9896 22.5610 34.5866 46.4354 59.1025 79.1531 84.6482 98.4212 124.2360 130.1185 140.6640 145.9715 153.6010 176.1612 186.4305 200.6513 219.4132 243.4803 254.1244 263.1389 279.2523 301.9097 316.9663 323.8226 356.1521 363.4466 383.9604 401.7569 417.7853 440.6482 466.7974 488.8846 511.1570 528.7445 544.7405 601.2220 634.2735 661.6480 676.5235 711.7799 743.2172 770.6150 792.3077 832.6831 839.6330 841.7395 877.1572 891.9113 907.2383 927.9139 944.4457 966.0539 972.0027 981.9944 998.7525 1006.4195 1013.0350 1029.7782 1045.7174 1054.9725 1064.3480 1069.4702 1091.9127 1095.5373 1100.0049 1106.4264 1134.4316 1141.3846 1165.0916 1178.3954 1213.4912 1227.1854 1259.8675 1288.2663 1311.9708 1314.6800 1332.6946 1337.3979 1352.5954 1401.4364 1401.7900 1411.2800 1412.7497 1416.2616 1423.8803 1429.9488 1430.4305 1459.4433 1471.4964 1483.6918 1486.2984 1486.9590 1489.3262 1492.0539 1492.7131 1497.5566 1499.4223 1500.1367 1510.0094 1512.7979 1514.7806 1723.4142 1727.2631 1761.0588 2222.0946 3000.1501 3008.8150 3012.9622 3015.2717 3020.9305 3021.3028 3026.5101 3041.7943 3046.8351 3065.8769 3067.3309 3072.6575 3075.3032 3078.5048 3089.0031 3092.3195 3092.9447 3105.1938 3118.9017 3123.1766 3127.6149 3128.2191 3132.2073 3161.9037 3169.5485 3474.8809 3.8914 3.5266 3.2368 2.8696 3.0378 3.4872 3.8145 3.5474 2.4334 2.1232 1.2209 2.1811 1.8168 2.3763 2.4739 1.1750 1.2510 1.2911 1.6895 2.2210 3.0084 3.2778 2.6127 2.8554 3.7364 3.0719 3.5626 3.4173 2.6937 3.6024 2.5661 2.4797 2.5631 2.7979 3.9020 3.3081 4.1600 2.9239 3.9721 1.2611 1.2888 5.4995 4.1548 1.7490 3.1632 2.7924 2.3181 1.6601 2.1391 1.9376 3.2297 3.8578 1.4118 1.8257 1.5518 1.7652 1.9383 1.2609 1.7946 2.1238 2.0831 1.6080 1.5726 1.7988 1.6330 1.6516 1.4150 2.0950 1.8589 2.0970 2.7483 2.4391 2.3066 2.4579 1.1897 1.4842 1.7615 1.4098 1.3776 1.4922 1.3981 1.2251 1.2083 1.3772 1.3014 1.2444 1.3965 1.2599 1.9432 1.0460 1.0423 1.0654 1.0528 1.0516 1.0523 1.0421 1.0417 1.0775 1.0642 1.0871 1.1033 1.1045 6.2969 6.7660 11.4527 5.9115 1.0382 1.0411 1.0688 1.0393 1.0352 1.0367 1.0392 1.0994 1.0990 1.0933 1.1010 1.0994 1.1014 1.0836 1.1018 1.1019 1.0993 1.0987 1.0956 1.0967 1.0896 1.0970 1.0873 1.0884 1.0867 1.1634 0.0004 0.0007 0.0010 0.0020 0.0039 0.0072 0.0141 0.0150 0.0139 0.0193 0.0122 0.0254 0.0228 0.0330 0.0452 0.0241 0.0297 0.0366 0.0590 0.0845 0.1227 0.1506 0.1403 0.1690 0.2308 0.2296 0.2773 0.2968 0.2562 0.3705 0.2936 0.3184 0.3609 0.4307 0.6427 0.5784 0.8860 0.6930 1.0245 0.3401 0.3847 1.7898 1.4537 0.6469 1.2922 1.1599 0.9677 0.7525 1.0026 0.9396 1.6384 2.0274 0.7763 1.0163 0.8817 1.0375 1.1567 0.7624 1.1213 1.3683 1.3660 1.0733 1.0598 1.2636 1.1547 1.1774 1.0206 1.5885 1.4268 1.6771 2.2485 2.1162 2.0466 2.2986 1.1633 1.5052 1.7938 1.4753 1.4518 1.6085 1.6178 1.4184 1.4179 1.6195 1.5379 1.4865 1.6824 1.5189 2.4386 1.3345 1.3519 1.3867 1.3715 1.3743 1.3803 1.3681 1.3764 1.4273 1.4111 1.4604 1.4876 1.4931 11.0193 11.8932 20.9269 17.1978 5.5057 5.5531 5.7166 5.5675 5.5660 5.5758 5.6083 5.9935 6.0107 6.0550 6.1034 6.1157 6.1371 6.0506 6.1942 6.2079 6.1962 6.2416 6.2793 6.3027 6.2797 6.3248 6.2848 6.4111 6.4324 8.2769 0.1108 0.1809 0.0656 0.2959 0.2140 0.3071 0.9937 0.7197 0.4621 0.4720 0.1459 0.5002 0.4499 0.8895 1.1762 0.3998 0.3619 0.8667 0.0434 0.8501 0.6104 3.6181 3.0905 5.3203 8.6821 1.2273 1.9806 4.1660 3.1186 1.3509 0.4213 3.0277 0.3703 6.2265 8.1952 15.0445 6.9186 4.7750 1.7889 48.6357 35.7016 2.4716 12.6308 20.9985 2.6903 18.5002 30.6322 62.2308 33.7269 5.5032 44.7639 40.5661 0.8552 6.3606 9.6200 3.9840 43.3832 2.5573 9.7135 46.9416 43.3252 2.1391 19.1650 19.1257 8.0532 0.1413 6.2833 2.6977 147.9537 141.8109 260.5986 95.5271 1.3516 34.2215 0.1487 11.1630 36.8502 7.2738 3.6968 19.1573 92.7295 6.6609 3.8880 9.1849 14.6423 6.4122 2.6795 6.6633 47.1909 0.2139 9.3640 4.9380 8.8984 1.7631 4.2184 14.3257 10.6785 5.2068 0.1436 15.4249 11.9866 3.6763 2.1205 5.4793 162.0673 0.1374 39.6026 68.0813 30.5022 21.1079 16.0319 67.3805 15.3182 12.6387 30.9123 6.7571 19.8142 11.9052 41.7100 7.9091 49.2774 32.7276 24.3660 17.8013 23.7998 16.7081 18.8233 5.8007 17.8046 1.4321 7.4020 79.8678 0.02 -0.06 -0.01 0.02 -0.08 0.01 0.04 -0.08 -0.02 0.02 -0.04 0.01 0.00 -0.08 0.01 0.07 -0.08 -0.06 0.03 -0.11 -0.02 0.00 -0.01 0.04 0.01 -0.08 0.01 -0.01 0.10 0.02 -0.02 0.23 -0.02 -0.03 0.12 0.06 0.03 -0.03 -0.02 -0.01 0.02 -0.00 0.08 -0.00 -0.07 -0.02 0.08 -0.01 -0.05 0.01 0.02 -0.11 0.05 0.05 0.13 0.02 -0.11 -0.17 0.01 0.09 0.04 -0.01 0.00 -0.02 -0.10 0.03 0.07 -0.12 -0.08 0.08 -0.07 -0.06 0.09 -0.07 -0.07 0.05 -0.09 -0.04 -0.00 -0.11 0.01 0.03 -0.15 -0.04 0.01 -0.09 0.07 -0.01 0.23 -0.04 -0.07 0.30 0.05 0.01 0.28 -0.10 -0.08 0.18 0.13 -0.03 0.02 0.09 -0.00 0.16 -0.02 0.04 -0.07 -0.02 0.01 0.11 -0.04 -0.06 0.11 0.02 -0.02 0.06 -0.00 -0.04 -0.04 0.02 -0.10 0.07 0.05 -0.11 0.11 0.04 0.16 0.04 -0.14 -0.18 0.00 0.10 -0.21 0.05 0.11 -0.16 -0.04 0.10 -0.01 0.03 -0.03 -0.01 0.08 -0.06 -0.05 -0.03 -0.09 -0.02 0.01 -0.04 -0.03 -0.01 -0.04 -0.05 0.00 -0.16 -0.08 -0.09 -0.09 -0.02 -0.02 0.02 -0.01 0.04 -0.05 0.00 -0.02 0.05 0.04 0.03 0.04 -0.00 -0.05 0.11 -0.02 0.02 -0.01 -0.00 0.02 0.01 -0.02 0.02 -0.01 -0.02 0.05 -0.00 0.04 -0.03 0.03 0.09 -0.05 0.07 -0.02 0.02 -0.01 0.17 -0.01 0.25 -0.00 0.05 -0.05 -0.03 -0.04 -0.01 -0.06 -0.01 -0.19 -0.02 0.05 -0.16 -0.06 -0.00 -0.18 -0.09 -0.10 -0.11 -0.08 -0.12 -0.05 -0.09 -0.11 -0.12 -0.05 -0.06 0.03 0.04 0.05 -0.00 0.07 0.05 0.07 0.03 0.02 0.04 0.03 -0.04 0.14 -0.03 -0.08 0.12 -0.01 -0.07 0.11 -0.03 0.02 -0.02 -0.05 0.03 -0.04 -0.00 0.04 0.02 -0.04 0.09 0.01 0.06 -0.05 0.04 0.16 -0.17 0.02 0.02 -0.00 0.03 -0.02 0.02 -0.01 0.10 0.11 0.31 0.21 -0.03 0.28 0.25 -0.06 0.31 0.02 0.02 0.01 0.01 -0.02 0.04 -0.04 -0.02 0.07 -0.02 -0.07 0.05 -0.00 -0.02 0.04 -0.08 -0.02 0.11 -0.05 0.00 0.08 0.00 -0.10 0.02 0.01 -0.01 0.03 -0.06 -0.00 -0.05 -0.17 0.18 -0.12 -0.02 -0.05 -0.07 0.03 0.03 -0.01 0.03 0.02 -0.04 0.02 0.02 0.00 -0.02 0.01 -0.05 0.08 0.01 -0.04 0.10 -0.02 -0.06 0.02 0.02 0.01 0.15 0.01 0.01 -0.04 -0.09 0.06 0.02 0.00 0.02 -0.08 0.02 0.12 -0.08 -0.03 0.10 -0.10 -0.04 0.13 -0.07 -0.01 0.10 -0.03 0.00 0.06 -0.06 0.04 0.08 0.08 -0.22 0.06 -0.19 0.22 -0.11 -0.22 0.27 -0.03 -0.17 0.20 -0.28 -0.08 0.02 0.01 0.05 -0.18 -0.03 -0.02 -0.04 -0.23 0.05 0.04 -0.01 -0.04 0.00 -0.07 -0.02 0.00 -0.07 -0.04 0.02 -0.02 0.11 0.01 -0.03 0.15 -0.06 -0.10 0.05 -0.01 -0.09 0.02 0.02 0.02 0.10 0.05 0.05 0.17 -0.01 -0.01 0.20 0.01 0.04 0.02 0.04 -0.05 0.03 0.05 -0.05 -0.04 0.02 -0.01 0.01 -0.01 0.00 0.01 0.03 -0.03 -0.06 0.04 -0.01 -0.08 0.02 0.01 0.02 -0.06 0.03 0.03 0.04 -0.05 0.01 -0.01 0.03 -0.01 0.11 -0.02 0.03 -0.09 0.07 -0.00 -0.01 -0.02 0.04 -0.02 0.06 -0.03 -0.02 -0.05 0.15 -0.01 0.09 -0.02 -0.03 0.09 -0.01 -0.03 0.14 -0.06 -0.02 -0.09 -0.04 -0.05 -0.13 0.02 -0.02 0.00 0.02 0.03 -0.03 -0.09 0.07 -0.03 -0.03 0.04 -0.02 -0.09 0.02 0.01 -0.11 -0.00 0.03 -0.08 0.01 0.02 -0.11 0.04 -0.02 0.04 -0.14 0.06 -0.03 0.17 -0.05 0.00 0.16 0.06 -0.03 0.10 -0.09 0.05 -0.04 0.14 0.05 -0.17 0.10 0.02 -0.10 -0.00 -0.03 -0.05 -0.02 0.16 -0.02 0.13 0.17 -0.01 0.14 0.20 -0.00 0.03 -0.10 -0.02 0.05 -0.15 0.06 0.27 0.17 -0.09 0.24 -0.09 -0.02 -0.12 0.11 -0.13 -0.27 -0.05 -0.04 -0.08 -0.23 0.02 -0.24 0.00 -0.02 -0.00 0.07 0.06 -0.04 0.01 0.05 0.01 0.03 0.01 0.01 0.04 0.05 -0.02 -0.02 0.05 0.03 -0.02 0.06 0.02 0.05 -0.03 0.01 0.04 0.04 -0.02 0.04 -0.02 -0.00 0.00 0.06 -0.03 0.07 -0.08 0.01 0.01 -0.03 -0.01 0.01 -0.05 -0.04 -0.03 -0.05 0.02 0.07 -0.13 -0.02 -0.06 0.01 -0.08 -0.11 0.05 -0.10 -0.07 -0.07 0.05 -0.13 0.03 0.18 0.04 -0.00 0.01 0.04 0.06 -0.03 -0.03 0.09 0.02 0.00 0.04 0.02 -0.04 0.04 0.05 -0.03 0.05 0.05 -0.01 0.06 0.02 -0.03 0.09 0.02 0.08 -0.08 0.03 -0.02 0.12 -0.05 0.03 0.09 0.02 -0.03 0.04 -0.08 0.09 -0.06 0.06 0.09 -0.14 0.03 0.04 -0.11 -0.04 0.01 -0.01 -0.01 0.11 -0.12 0.07 0.05 -0.13 -0.06 0.10 -0.21 -0.05 -0.08 0.05 -0.09 0.02 -0.02 -0.22 -0.27 0.15 -0.20 -0.10 -0.09 0.07 -0.28 0.10 0.31 -0.17 0.05 0.15 0.04 -0.08 0.29 0.05 0.06 -0.10 -0.07 -0.12 -0.01 -0.03 -0.04 0.01 -0.02 -0.07 -0.01 -0.03 -0.05 -0.04 -0.03 -0.06 0.03 -0.06 -0.00 0.02 -0.05 -0.01 0.00 -0.02 -0.05 -0.05 -0.04 0.03 0.02 0.02 -0.04 0.04 -0.10 0.15 0.01 0.02 0.04 -0.04 0.07 0.01 -0.02 0.00 0.02 0.01 0.25 -0.10 0.04 -0.04 0.07 -0.04 0.01 0.05 -0.01 -0.02 0.00 0.07 0.07 0.09 0.04 0.00 -0.10 -0.00 -0.02 -0.03 -0.06 -0.03 -0.04 0.02 -0.01 -0.08 0.02 -0.03 -0.06 0.06 -0.07 -0.01 0.06 -0.05 0.01 -0.00 -0.07 0.03 0.02 -0.09 0.04 -0.01 0.07 -0.15 0.06 -0.06 -0.05 0.00 0.10 0.04 0.09 -0.16 0.14 -0.02 -0.15 0.19 -0.00 -0.04 0.22 0.06 -0.03 0.07 -0.05 0.32 -0.07 0.21 0.23 -0.09 0.03 0.33 -0.22 -0.05 -0.14 0.14 -0.09 0.01 -0.01 -0.01 0.00 0.06 -0.01 -0.04 -0.01 0.12 0.06 0.15 0.05 0.11 0.06 0.06 0.08 0.08 0.05 0.00 -0.08 -0.06 0.02 0.01 -0.13 -0.04 0.03 0.01 0.02 -0.06 -0.04 0.03 0.02 -0.12 -0.07 0.03 0.07 -0.11 0.12 0.05 0.01 -0.04 -0.02 0.02 -0.02 -0.12 0.02 0.01 0.00 0.08 0.02 0.00 -0.02 0.08 0.03 -0.01 -0.03 -0.01 -0.03 -0.01 -0.00 0.07 -0.02 0.08 -0.10 0.05 -0.03 0.01 -0.05 0.03 -0.00 -0.04 0.04 0.20 -0.00 0.22 -0.03 -0.06 -0.01 0.06 -0.14 -0.02 0.04 0.07 -0.17 -0.11 0.12 0.05 -0.02 -0.03 0.04 -0.12 -0.01 0.15 -0.17 0.08 0.15 -0.08 0.13 -0.01 -0.16 0.24 0.03 -0.02 -0.03 -0.02 0.12 -0.05 -0.00 0.01 0.04 0.01 0.14 0.09 0.01 -0.07 0.10 0.04 -0.06 0.07 0.03 0.02 0.13 0.04 -0.05 0.00 -0.02 -0.19 0.00 -0.12 -0.02 0.02 0.02 -0.13 0.20 0.00 0.04 -0.09 0.04 -0.03 -0.02 0.07 0.03 -0.04 0.06 0.30 0.01 0.34 -0.00 -0.09 -0.04 -0.05 -0.05 0.01 -0.08 -0.07 -0.03 0.01 -0.02 0.07 0.15 0.19 -0.04 -0.04 -0.04 0.02 0.01 -0.05 0.05 0.03 -0.01 0.05 -0.11 0.03 -0.03 -0.07 -0.11 0.02 0.01 -0.03 0.03 0.07 0.07 0.02 -0.03 -0.00 -0.01 -0.04 -0.10 0.02 -0.08 0.18 -0.12 0.04 -0.03 0.03 0.03 -0.02 0.01 0.02 -0.02 -0.02 0.02 -0.03 0.01 0.03 -0.02 0.01 0.00 -0.00 -0.01 0.01 -0.01 -0.09 -0.04 -0.03 0.01 -0.01 -0.01 0.05 0.04 -0.04 0.08 -0.12 0.06 -0.04 -0.09 0.08 -0.02 -0.16 -0.02 -0.06 -0.16 -0.19 0.01 0.03 -0.17 0.02 -0.10 -0.02 0.01 0.01 0.03 0.01 0.03 -0.35 0.14 -0.29 -0.11 -0.08 0.11 0.07 0.02 -0.22 0.17 -0.20 -0.06 0.25 -0.14 0.01 0.28 -0.12 0.07 -0.04 0.03 0.04 -0.01 0.01 -0.01 -0.01 -0.00 0.01 -0.06 0.02 0.04 -0.02 0.01 0.02 0.02 -0.02 -0.02 0.01 -0.02 -0.00 -0.00 -0.15 -0.06 -0.05 0.03 -0.07 -0.01 -0.00 -0.02 -0.05 0.02 -0.06 -0.08 0.04 0.01 0.04 -0.02 -0.01 0.02 0.00 -0.01 0.03 0.00 -0.02 0.02 -0.00 0.00 0.02 0.00 -0.00 0.03 0.00 -0.01 0.03 -0.00 -0.02 -0.00 0.00 -0.01 0.01 -0.00 -0.02 0.01 -0.00 0.01 -0.03 0.00 -0.05 -0.04 0.02 -0.07 -0.02 0.02 0.04 -0.00 -0.02 0.02 -0.09 0.05 -0.11 0.02 -0.01 -0.02 -0.04 -0.01 0.19 0.07 -0.08 0.11 0.04 -0.02 -0.01 0.03 0.00 -0.03 0.02 -0.00 0.01 0.01 0.01 -0.00 0.02 0.01 0.01 0.02 -0.00 0.00 0.04 0.01 -0.01 0.04 0.00 -0.00 0.03 0.00 -0.01 0.02 -0.00 -0.04 0.07 -0.02 0.05 -0.01 0.01 -0.06 -0.04 0.01 0.04 -0.04 0.01 0.01 -0.03 0.00 -0.01 -0.05 0.01 -0.04 -0.07 0.03 0.36 0.11 0.22 -0.29 0.07 -0.06 0.09 -0.52 0.03 -0.17 0.08 -0.03 -0.02 -0.11 -0.01 -0.02 -0.10 -0.01 0.32 0.13 -0.13 0.11 0.12 -0.02 0.20 -0.02 -0.02 0.12 0.11 -0.02 0.01 -0.01 0.05 -0.06 -0.03 0.03 0.00 0.00 -0.02 0.02 -0.06 -0.07 0.05 0.00 -0.05 -0.09 0.02 0.06 0.05 0.02 -0.03 0.02 -0.07 -0.06 -0.00 -0.01 0.01 0.05 -0.02 -0.01 0.12 0.04 -0.03 -0.00 0.02 0.07 0.01 -0.00 0.06 -0.01 0.01 0.04 -0.01 0.00 0.02 -0.06 0.00 0.03 0.01 0.02 0.02 0.00 0.02 -0.04 -0.08 -0.00 -0.08 0.02 0.03 -0.01 0.01 -0.08 -0.07 0.10 0.03 -0.08 -0.11 0.14 0.08 -0.08 -0.02 0.05 -0.17 -0.03 0.11 0.03 0.00 -0.04 0.08 0.01 -0.06 0.06 0.05 0.00 -0.01 -0.08 -0.05 0.25 -0.27 0.03 -0.22 0.14 -0.02 0.37 0.33 -0.10 0.02 0.01 0.06 -0.09 0.04 0.05 0.02 0.04 0.15 0.01 -0.01 0.06 0.10 0.12 0.05 -0.26 0.10 -0.05 -0.08 -0.21 0.08 0.05 0.03 0.04 0.04 0.02 -0.07 -0.05 -0.00 -0.06 -0.14 -0.01 -0.16 -0.04 0.01 0.04 0.02 0.02 -0.08 0.08 0.06 0.02 0.01 -0.00 0.02 -0.01 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.03 -0.02 0.02 -0.01 -0.01 -0.06 0.01 0.03 0.01 -0.01 -0.01 -0.01 -0.02 -0.03 0.01 0.00 0.01 -0.00 0.02 -0.02 0.05 -0.01 -0.00 -0.03 0.05 0.01 0.01 -0.00 0.02 0.01 -0.00 0.02 0.00 -0.00 0.01 -0.01 -0.00 0.01 0.02 -0.00 0.01 0.01 0.01 -0.02 -0.02 -0.00 -0.03 -0.01 -0.00 -0.00 -0.00 -0.05 -0.02 0.04 0.00 -0.03 -0.07 0.07 0.04 -0.05 -0.01 0.02 -0.10 -0.02 0.05 -0.02 -0.04 -0.01 0.05 -0.02 -0.02 0.01 0.03 0.01 -0.02 -0.02 -0.03 -0.10 0.43 -0.18 0.57 -0.12 0.05 -0.27 -0.38 0.14 -0.14 0.16 0.12 -0.00 -0.10 0.06 0.03 0.14 -0.13 0.01 -0.00 0.02 0.03 0.02 0.01 -0.06 0.02 -0.01 -0.02 -0.05 0.03 0.04 0.00 0.02 0.03 0.02 -0.03 -0.01 0.01 -0.03 -0.03 0.00 -0.06 -0.04 -0.02 0.02 -0.03 0.00 -0.03 0.02 -0.00 0.02 -0.01 0.04 0.02 -0.05 -0.01 0.05 -0.02 0.02 -0.02 -0.04 0.03 -0.03 -0.01 0.03 0.02 -0.09 0.05 0.02 0.07 -0.01 -0.05 -0.04 0.01 -0.03 -0.03 0.02 0.04 -0.02 0.01 -0.00 0.01 0.01 -0.00 -0.03 -0.02 0.04 -0.01 0.00 0.01 0.04 -0.04 -0.00 0.00 0.01 -0.00 0.06 -0.10 0.01 0.05 -0.04 -0.02 0.02 -0.02 -0.04 0.15 0.08 -0.06 -0.05 -0.06 0.01 -0.06 0.05 -0.04 0.01 0.03 0.01 -0.10 0.12 0.04 -0.09 0.04 0.02 -0.15 0.01 0.04 0.10 0.02 -0.13 0.05 -0.01 -0.04 0.11 -0.08 -0.01 -0.05 0.02 -0.03 0.03 -0.05 0.00 -0.05 0.03 -0.00 0.05 0.06 -0.01 0.04 -0.05 0.03 -0.07 0.03 0.02 -0.05 -0.05 0.12 0.00 0.01 0.01 -0.28 -0.33 -0.03 0.43 -0.30 0.10 0.05 0.30 -0.03 0.05 -0.02 -0.02 0.05 0.01 -0.07 -0.02 0.02 -0.06 0.26 0.13 -0.09 -0.10 -0.11 0.06 -0.11 -0.03 -0.03 0.00 -0.10 0.05 -0.03 -0.07 0.02 0.05 0.05 -0.04 0.01 -0.02 0.01 0.01 -0.03 -0.01 0.01 -0.02 -0.00 -0.00 -0.02 0.05 0.05 -0.00 0.01 0.01 -0.03 -0.01 0.01 -0.01 -0.01 0.01 -0.01 -0.00 0.03 0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.02 0.00 -0.04 0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.00 0.01 -0.12 0.06 -0.02 -0.05 0.02 0.02 -0.04 -0.02 -0.03 0.09 0.11 -0.01 0.00 -0.04 -0.00 0.02 -0.01 -0.01 0.03 -0.03 0.09 -0.05 -0.03 0.06 0.00 -0.02 0.02 0.08 0.02 -0.01 0.04 0.01 -0.01 0.08 -0.03 0.03 0.00 -0.03 -0.01 0.03 0.02 -0.03 0.05 0.01 0.01 0.02 -0.00 -0.00 -0.04 0.04 0.04 -0.01 -0.03 0.03 0.01 0.04 -0.01 -0.00 -0.03 0.01 -0.40 -0.26 -0.08 0.39 -0.21 0.15 -0.03 0.48 -0.03 -0.17 0.08 -0.04 -0.08 -0.05 0.06 -0.00 -0.02 0.05 -0.07 -0.03 -0.06 0.14 0.21 -0.06 0.20 0.04 0.05 0.04 0.16 -0.04 -0.02 0.01 -0.04 0.08 0.06 -0.04 0.00 -0.01 0.02 -0.05 -0.00 -0.02 -0.02 -0.01 0.04 -0.08 0.00 0.10 0.20 -0.04 -0.05 -0.05 -0.01 -0.01 0.01 0.02 -0.01 -0.04 -0.00 0.01 -0.02 0.01 0.01 -0.05 -0.01 0.05 0.00 0.01 -0.07 -0.00 0.01 -0.06 -0.00 -0.00 -0.04 0.03 0.05 -0.05 -0.01 -0.02 -0.02 0.00 -0.02 0.05 -0.01 -0.03 0.10 -0.01 -0.02 0.01 -0.08 0.03 -0.02 -0.01 0.00 0.03 -0.03 0.04 0.19 -0.17 0.00 0.13 -0.11 -0.02 0.04 0.37 0.11 -0.22 0.06 0.01 -0.02 0.33 -0.28 0.02 -0.06 -0.01 -0.01 -0.01 -0.00 -0.00 -0.02 0.01 0.02 -0.01 0.02 0.01 -0.01 -0.02 0.06 -0.09 -0.00 0.05 -0.06 -0.03 0.10 0.02 0.01 -0.07 0.25 0.19 -0.01 -0.17 0.17 -0.08 0.07 -0.18 -0.06 -0.04 -0.05 -0.04 -0.06 -0.03 0.11 0.07 -0.00 0.09 -0.01 -0.05 0.20 0.09 0.01 -0.08 -0.01 -0.01 0.13 -0.13 -0.08 -0.05 0.01 0.00 0.00 0.01 0.12 -0.10 0.00 -0.04 0.02 -0.04 -0.05 -0.02 -0.04 -0.06 -0.04 0.12 -0.12 0.06 0.02 0.08 0.03 -0.06 -0.01 -0.03 -0.01 0.02 -0.05 -0.05 -0.00 -0.01 -0.01 0.01 -0.01 -0.06 -0.03 0.05 -0.00 0.03 0.05 0.02 0.00 0.05 -0.01 0.03 0.04 0.01 -0.02 0.04 0.08 -0.00 0.03 0.04 0.02 -0.04 -0.02 0.05 -0.06 -0.04 -0.03 -0.00 -0.03 -0.10 -0.01 -0.03 -0.05 -0.05 0.32 -0.40 0.24 -0.17 -0.06 0.15 0.32 0.03 -0.22 0.07 0.13 0.08 -0.04 0.13 -0.02 0.04 0.06 0.05 -0.07 -0.01 -0.03 -0.01 0.02 -0.04 0.01 0.01 0.00 -0.02 0.00 -0.00 0.05 -0.10 0.00 -0.14 0.07 0.01 -0.10 -0.08 0.20 -0.03 0.04 0.04 -0.01 -0.03 0.05 0.02 -0.04 0.02 -0.00 -0.03 0.05 0.11 0.02 0.05 0.09 0.07 -0.09 -0.03 0.02 -0.08 -0.03 0.06 -0.13 -0.15 -0.13 0.10 -0.11 0.00 -0.14 0.09 -0.01 0.07 0.01 -0.02 0.01 0.02 -0.00 0.01 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.01 -0.02 0.01 -0.04 0.00 0.01 -0.02 -0.03 0.01 -0.02 0.04 -0.03 0.01 -0.01 0.01 -0.02 0.05 -0.02 0.00 0.03 -0.02 0.00 -0.01 0.01 0.02 -0.01 -0.00 0.01 0.00 -0.01 0.02 -0.01 -0.00 0.01 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.01 -0.02 0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 0.02 -0.01 0.01 -0.05 0.05 0.01 -0.02 0.00 0.01 -0.07 -0.02 0.03 -0.19 -0.17 0.05 0.16 -0.09 -0.05 -0.07 0.18 0.03 -0.02 0.06 -0.03 -0.03 0.13 -0.06 0.13 0.00 -0.01 -0.07 -0.06 0.03 0.34 -0.31 -0.26 -0.15 0.40 -0.14 -0.14 -0.23 0.47 0.03 -0.01 0.00 0.01 0.02 -0.01 0.00 0.02 -0.00 0.01 0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.02 0.01 0.01 0.01 -0.03 -0.03 0.01 0.03 0.03 -0.02 0.02 0.01 0.03 -0.02 0.00 -0.01 -0.02 0.01 0.03 -0.02 0.02 0.04 0.00 -0.00 0.00 -0.01 0.00 -0.01 0.00 0.01 0.02 0.02 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 -0.03 -0.01 0.02 0.04 0.01 -0.02 -0.02 0.05 0.00 -0.02 -0.00 -0.00 0.02 -0.01 0.01 -0.02 -0.00 -0.00 -0.05 -0.01 0.01 -0.01 0.01 -0.01 -0.04 -0.01 -0.01 -0.04 0.00 -0.01 0.02 0.01 0.01 0.01 -0.01 -0.02 0.02 -0.04 0.01 -0.01 0.02 -0.00 0.03 0.18 -0.20 0.17 -0.23 0.08 0.10 0.13 0.07 -0.26 -0.30 -0.25 0.07 0.32 -0.12 -0.11 -0.08 0.37 0.07 0.00 -0.00 -0.04 0.08 -0.04 -0.03 0.01 0.02 -0.01 0.09 0.05 -0.02 -0.08 0.09 0.12 0.01 -0.14 0.06 0.04 0.06 -0.10 0.03 0.02 -0.01 0.03 -0.00 -0.02 0.00 -0.01 -0.04 0.02 -0.04 -0.05 -0.03 -0.02 -0.05 -0.05 -0.03 0.07 0.05 0.01 0.05 0.03 0.01 0.03 0.15 0.08 -0.12 0.00 0.00 0.24 -0.19 -0.13 -0.08 -0.01 -0.02 0.05 -0.03 0.03 0.00 -0.00 -0.01 0.00 0.01 -0.02 -0.00 0.00 -0.01 -0.02 0.02 -0.02 -0.01 -0.03 0.02 0.02 0.01 -0.02 -0.00 -0.01 0.00 0.01 0.01 -0.00 -0.01 0.02 0.00 -0.01 -0.00 0.01 -0.01 0.01 0.02 0.03 0.01 0.00 -0.03 0.00 0.02 0.04 -0.01 -0.04 -0.03 0.03 0.00 -0.04 0.02 0.01 0.01 -0.01 0.03 -0.03 -0.02 -0.01 0.02 0.02 -0.04 0.00 0.01 -0.01 -0.02 -0.06 0.05 -0.11 0.15 -0.06 -0.06 -0.01 -0.04 0.12 0.16 0.20 0.02 -0.27 0.11 0.09 -0.01 -0.21 -0.05 0.01 -0.03 0.00 0.01 0.03 -0.03 0.05 -0.00 -0.00 -0.00 -0.02 0.00 0.04 -0.04 -0.06 -0.03 0.09 -0.04 -0.01 -0.01 0.07 0.03 0.06 0.03 -0.00 -0.04 -0.01 -0.02 -0.05 -0.06 -0.01 -0.07 -0.02 0.03 0.00 -0.04 -0.02 -0.00 0.06 0.07 0.06 0.04 -0.03 0.03 -0.08 0.28 0.17 -0.24 -0.01 0.04 0.48 -0.36 -0.27 -0.16 0.00 -0.08 0.02 0.01 0.01 -0.05 0.03 -0.01 -0.02 -0.02 0.04 -0.03 -0.03 -0.04 -0.01 0.01 -0.01 0.02 0.04 0.03 -0.02 -0.06 0.09 -0.01 -0.01 -0.05 -0.02 -0.04 0.02 0.01 -0.07 -0.02 0.03 -0.02 -0.05 0.03 0.03 0.00 0.02 0.02 0.02 0.01 0.05 0.01 0.04 0.02 0.01 0.01 0.05 0.01 -0.00 0.03 0.03 -0.01 -0.03 -0.01 -0.02 -0.01 -0.00 0.00 -0.01 0.05 -0.03 -0.06 -0.04 -0.01 -0.18 0.24 -0.17 0.28 -0.15 -0.10 -0.13 -0.11 0.34 -0.17 -0.15 0.04 0.29 -0.04 -0.14 -0.00 0.32 0.05 -0.08 0.13 -0.02 -0.05 -0.10 0.08 -0.16 -0.02 -0.01 -0.02 0.04 0.01 -0.07 0.08 0.19 0.06 -0.26 0.11 -0.01 -0.03 -0.17 0.03 0.02 0.02 0.02 0.01 0.02 0.03 0.01 0.01 0.03 0.01 -0.00 0.07 0.02 0.01 0.03 0.04 -0.01 0.03 0.05 -0.01 -0.09 -0.02 -0.07 0.04 0.02 -0.04 -0.04 0.03 0.09 -0.07 -0.07 -0.03 -0.07 -0.02 0.08 -0.00 0.08 0.04 0.01 -0.02 0.02 -0.03 -0.01 -0.00 -0.03 -0.03 0.05 0.06 -0.05 -0.00 -0.05 0.01 0.05 -0.01 -0.01 -0.08 -0.04 0.01 0.07 0.01 -0.01 -0.06 0.11 0.01 -0.07 -0.02 -0.01 0.01 -0.01 0.02 -0.04 -0.02 0.03 -0.07 -0.01 0.03 -0.05 0.09 0.05 -0.04 -0.02 -0.02 -0.03 0.01 -0.03 0.04 -0.01 0.01 0.03 -0.01 -0.04 -0.00 -0.07 -0.01 0.00 -0.01 -0.06 0.07 -0.12 0.10 -0.21 0.35 -0.16 -0.11 -0.01 -0.10 0.30 0.00 0.06 0.11 -0.15 0.05 0.07 -0.08 -0.05 -0.01 0.02 -0.00 -0.08 0.15 -0.03 -0.12 0.12 0.03 -0.04 0.15 0.05 -0.03 -0.01 0.03 0.06 -0.07 -0.06 0.02 -0.00 0.01 0.02 0.08 0.02 -0.03 0.11 0.05 -0.00 0.11 0.06 0.02 0.15 0.06 -0.12 -0.06 -0.03 -0.05 -0.03 -0.03 0.08 0.05 -0.03 0.07 -0.00 -0.00 0.09 -0.20 -0.22 0.17 -0.05 -0.05 -0.32 0.21 0.12 0.11 0.01 -0.12 0.12 -0.02 -0.03 0.05 -0.03 0.05 -0.04 -0.04 0.03 -0.05 0.02 0.06 -0.02 -0.03 0.07 -0.07 -0.07 0.10 -0.02 -0.06 0.02 -0.03 0.02 -0.02 0.05 -0.05 -0.00 -0.01 -0.05 -0.02 -0.00 -0.08 -0.02 0.05 0.11 -0.07 0.01 0.06 -0.01 -0.01 0.12 -0.07 -0.04 0.07 0.08 -0.01 0.04 0.01 -0.01 0.01 0.04 -0.01 0.00 -0.13 0.01 0.01 0.04 -0.00 -0.05 0.04 -0.05 0.04 0.06 -0.03 0.13 -0.14 0.09 -0.27 0.20 0.03 0.08 0.15 -0.37 0.11 0.27 0.02 -0.32 0.19 0.04 -0.06 -0.11 -0.10 -0.08 0.02 -0.03 -0.05 -0.05 0.01 -0.07 -0.03 -0.02 -0.04 -0.01 0.00 -0.07 0.02 0.12 -0.12 -0.09 0.07 -0.07 -0.00 0.04 0.19 -0.11 0.03 0.09 0.10 -0.06 0.06 0.11 0.05 0.08 0.11 -0.03 0.06 -0.02 0.00 0.01 0.04 -0.01 0.01 0.05 -0.00 -0.08 -0.17 0.03 -0.01 0.04 0.01 0.02 0.03 -0.03 0.03 0.06 0.01 0.08 0.15 -0.06 0.10 0.00 0.06 -0.00 0.00 0.00 -0.05 0.01 -0.02 0.00 0.02 0.06 0.08 -0.03 -0.03 -0.03 0.03 0.01 -0.06 -0.00 -0.08 0.06 0.07 0.04 -0.06 -0.02 -0.07 0.02 -0.02 -0.07 -0.12 -0.03 0.08 0.02 -0.06 -0.00 0.05 -0.06 0.09 -0.04 -0.08 -0.08 -0.09 -0.03 0.05 -0.02 -0.00 0.05 -0.05 0.02 -0.04 0.07 -0.06 0.03 0.03 0.07 -0.01 -0.11 0.03 -0.02 0.04 -0.01 0.07 -0.07 0.04 -0.22 0.33 -0.13 -0.12 0.07 -0.04 0.22 -0.03 0.02 0.06 -0.03 0.04 0.00 -0.05 0.06 -0.00 -0.05 0.01 -0.09 0.05 -0.06 -0.10 0.02 -0.02 -0.06 0.05 0.01 -0.03 -0.09 0.04 0.19 -0.24 -0.12 0.10 -0.09 0.00 0.11 -0.03 -0.15 -0.00 -0.11 -0.02 -0.05 -0.14 -0.02 -0.01 -0.18 -0.03 0.16 0.02 0.01 0.06 0.01 0.01 -0.10 -0.12 -0.01 -0.08 0.15 -0.05 0.09 0.15 0.24 -0.12 0.12 0.03 0.20 -0.10 0.00 -0.08 -0.01 -0.03 -0.05 0.07 -0.04 -0.03 -0.02 -0.02 0.04 -0.04 0.05 0.03 -0.06 -0.04 0.06 -0.08 -0.01 0.06 -0.09 -0.09 0.05 -0.03 0.15 -0.07 -0.01 -0.05 -0.01 0.01 0.08 -0.06 0.13 0.02 -0.04 0.07 -0.05 -0.04 -0.02 -0.00 0.00 -0.01 0.01 0.05 0.01 0.01 0.00 0.01 0.02 0.06 0.04 0.01 0.03 0.02 0.02 -0.06 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.07 0.05 0.03 -0.11 -0.04 0.07 0.03 -0.05 0.20 -0.25 0.04 0.12 -0.06 0.00 -0.11 0.04 0.02 0.02 -0.27 -0.06 0.18 -0.10 -0.30 -0.06 -0.02 0.21 -0.09 0.20 -0.10 -0.07 0.09 0.01 -0.06 0.22 0.10 0.06 0.10 0.03 0.09 0.18 -0.22 0.03 0.01 -0.10 -0.22 -0.07 -0.02 -0.01 -0.00 0.01 0.07 0.02 0.01 0.07 0.02 0.03 0.04 0.08 0.05 0.06 0.09 0.04 -0.13 -0.06 0.02 -0.11 -0.02 -0.00 -0.01 0.06 0.06 -0.06 -0.02 0.03 0.15 -0.09 -0.12 -0.04 0.05 -0.01 -0.04 0.12 -0.09 0.01 0.00 0.02 0.01 -0.01 0.02 -0.01 0.02 0.02 0.02 -0.01 0.04 -0.02 -0.03 -0.01 0.01 -0.03 0.03 -0.04 0.06 -0.02 -0.01 -0.03 0.01 -0.04 0.00 -0.02 -0.03 -0.05 -0.02 0.04 0.03 0.05 0.03 0.01 0.01 -0.07 0.05 0.05 0.15 -0.08 -0.14 -0.10 -0.02 0.01 -0.05 0.01 0.02 0.16 -0.04 0.06 -0.05 -0.01 0.01 0.01 -0.04 0.02 -0.00 0.03 0.04 0.01 0.03 -0.01 0.00 -0.05 0.08 0.00 0.02 0.05 -0.10 0.01 0.03 0.02 -0.09 0.00 0.06 -0.04 -0.08 -0.03 -0.02 0.05 -0.05 0.01 -0.05 -0.03 -0.01 -0.03 -0.05 0.02 0.00 -0.00 -0.02 0.03 0.12 -0.11 -0.10 0.06 -0.05 -0.02 0.03 -0.01 0.16 0.01 -0.11 -0.17 -0.04 -0.11 -0.17 -0.24 -0.14 -0.22 -0.00 -0.10 -0.05 -0.09 -0.16 0.00 0.32 0.20 0.03 0.26 -0.11 0.07 -0.17 -0.12 -0.17 0.11 -0.03 -0.00 -0.27 0.12 0.21 0.07 -0.08 -0.11 -0.05 0.17 -0.13 0.02 -0.01 0.06 0.02 -0.02 0.02 0.02 0.01 0.08 0.05 0.05 0.08 -0.07 0.03 0.02 0.00 0.02 -0.12 0.00 0.02 -0.04 -0.00 -0.00 -0.10 -0.03 0.00 -0.01 -0.06 -0.10 0.03 0.04 -0.08 0.04 -0.00 -0.10 0.07 0.03 -0.00 0.08 0.06 0.06 0.07 0.09 0.01 0.02 0.03 0.05 -0.03 -0.11 -0.06 0.08 -0.00 -0.01 -0.09 -0.00 -0.05 0.04 0.02 0.00 0.09 0.03 0.01 0.00 -0.16 0.13 0.12 -0.09 0.09 0.12 -0.07 -0.03 -0.04 -0.05 0.12 -0.02 -0.01 0.04 0.07 0.04 0.08 -0.16 0.01 -0.01 0.05 -0.10 0.05 0.02 0.00 -0.03 -0.04 -0.10 -0.12 -0.00 -0.00 -0.27 0.12 -0.00 -0.02 0.11 0.22 -0.13 0.07 -0.02 0.06 0.05 0.18 0.14 0.04 0.16 0.16 0.10 -0.05 0.05 0.10 0.05 0.16 -0.02 -0.21 -0.09 -0.04 -0.18 -0.09 0.08 -0.04 0.04 -0.04 -0.05 -0.08 -0.02 0.17 -0.09 -0.27 -0.03 -0.03 -0.02 0.01 0.11 -0.04 0.04 -0.05 -0.06 -0.13 -0.04 0.06 -0.02 -0.07 -0.04 0.07 -0.08 -0.13 -0.00 -0.02 0.16 -0.12 0.02 -0.05 0.04 -0.00 -0.01 0.05 0.03 -0.04 0.05 0.04 0.03 0.03 0.06 0.03 -0.06 -0.01 0.01 -0.02 -0.01 0.04 0.02 0.02 0.03 -0.10 -0.04 -0.09 0.02 0.06 0.02 0.02 0.04 0.05 0.03 -0.01 -0.00 0.03 -0.01 0.02 0.00 -0.09 0.26 -0.07 -0.15 -0.17 0.20 -0.04 -0.06 0.08 -0.14 -0.21 0.00 -0.08 -0.13 0.05 0.02 0.21 0.05 -0.07 0.27 -0.28 -0.01 0.26 -0.06 0.03 -0.09 0.06 0.03 0.07 -0.01 0.07 0.07 0.09 0.02 0.02 0.01 -0.02 -0.04 -0.19 0.13 0.15 -0.10 0.07 0.05 -0.05 0.01 -0.08 -0.01 -0.08 -0.13 0.10 -0.01 -0.14 -0.08 -0.06 -0.13 0.05 0.08 0.01 0.03 0.02 0.08 0.05 0.06 0.06 0.04 -0.02 -0.03 0.11 -0.01 -0.03 0.00 -0.05 0.05 -0.02 -0.01 0.03 0.00 0.06 0.07 -0.00 0.08 -0.02 0.05 -0.00 -0.05 -0.09 -0.00 0.01 -0.04 0.02 -0.02 0.02 -0.05 -0.10 0.02 -0.04 0.08 -0.07 -0.01 0.02 -0.00 0.05 0.03 0.03 0.00 0.03 0.02 -0.02 -0.00 0.03 0.03 0.00 -0.01 0.00 0.01 0.06 0.02 -0.07 -0.04 -0.06 -0.05 0.25 0.07 0.16 -0.04 -0.12 -0.04 -0.04 -0.08 -0.11 -0.06 0.01 0.05 -0.06 0.02 -0.06 -0.01 -0.03 0.12 -0.07 0.01 -0.10 0.09 -0.00 -0.04 0.12 -0.12 -0.17 0.03 -0.06 -0.10 0.05 0.01 0.13 0.06 -0.14 0.15 -0.12 -0.06 0.08 -0.10 -0.03 0.01 0.00 -0.03 -0.01 0.06 -0.03 -0.02 -0.00 -0.03 -0.01 0.04 0.04 0.00 -0.00 0.07 -0.01 0.00 0.01 -0.02 -0.04 -0.02 0.19 0.04 0.15 0.24 -0.20 0.01 0.26 0.15 0.10 0.24 -0.08 -0.18 -0.01 -0.07 -0.04 -0.17 -0.10 -0.12 -0.13 -0.08 0.05 0.11 -0.26 0.01 0.04 -0.00 0.09 -0.10 0.03 0.03 -0.06 0.00 -0.01 -0.03 -0.04 -0.04 0.00 -0.06 -0.07 0.02 0.06 -0.07 0.06 0.09 -0.12 -0.01 0.08 -0.01 0.05 -0.06 0.06 0.03 0.03 -0.00 -0.05 0.04 -0.05 -0.04 -0.03 -0.01 -0.10 0.01 0.12 0.04 -0.03 -0.02 -0.01 -0.07 -0.00 -0.05 0.02 0.10 -0.08 -0.01 -0.08 -0.13 0.15 0.03 0.05 -0.04 0.09 -0.04 -0.02 -0.01 0.08 0.03 0.05 -0.04 -0.05 0.00 0.11 -0.00 -0.07 0.09 0.08 -0.24 -0.01 0.09 -0.07 -0.01 -0.18 0.09 0.14 -0.08 0.00 0.06 -0.09 0.03 -0.00 -0.05 0.18 0.02 -0.08 0.14 0.11 0.16 0.07 -0.04 0.03 0.16 0.08 -0.19 0.18 0.14 0.12 0.15 0.08 -0.04 -0.12 -0.06 -0.18 0.01 0.11 -0.10 0.02 0.05 -0.04 -0.05 0.07 0.00 0.09 0.11 -0.17 -0.05 0.12 0.02 -0.00 0.05 -0.00 0.13 -0.09 -0.01 -0.06 0.10 0.08 0.07 0.13 0.07 0.13 0.02 -0.18 -0.01 0.12 0.01 0.05 0.07 -0.05 0.02 0.19 0.00 -0.06 -0.05 0.02 0.03 -0.03 0.01 -0.02 0.08 -0.06 -0.01 0.08 -0.06 0.03 0.12 -0.05 0.07 -0.07 0.16 -0.09 -0.12 -0.08 0.02 -0.01 -0.01 -0.00 0.04 -0.01 0.04 -0.04 0.01 -0.04 -0.01 -0.00 0.00 0.03 0.02 -0.04 -0.03 0.00 0.01 -0.02 -0.01 -0.10 -0.06 0.03 0.02 0.01 -0.01 0.08 -0.01 -0.02 0.03 0.07 0.03 0.02 -0.01 -0.01 -0.01 0.07 0.00 -0.03 0.10 -0.06 0.05 0.11 -0.04 0.13 -0.05 0.25 0.02 -0.36 0.12 0.18 0.02 0.36 -0.15 -0.18 -0.20 -0.06 -0.24 0.13 -0.14 -0.21 -0.20 -0.00 -0.04 0.00 -0.08 0.04 0.04 -0.05 0.00 0.01 -0.08 -0.04 -0.08 -0.04 0.02 -0.01 -0.05 0.07 0.00 0.05 0.08 0.08 -0.03 0.00 0.00 0.05 0.04 -0.02 0.00 0.04 0.02 0.04 0.01 -0.03 0.14 -0.05 0.01 -0.02 0.10 0.06 0.08 0.12 0.05 0.11 0.03 -0.03 -0.01 0.04 0.01 -0.01 0.07 -0.04 0.01 0.10 0.01 0.07 0.04 -0.01 -0.07 0.02 -0.02 -0.08 0.08 0.00 -0.08 0.11 0.02 -0.05 0.08 0.01 0.05 -0.03 0.08 -0.02 -0.06 -0.05 -0.04 -0.01 0.03 0.00 0.03 -0.04 -0.02 -0.12 0.05 0.08 0.04 0.00 -0.04 -0.01 -0.07 0.11 0.01 0.02 0.00 0.02 0.01 0.28 0.05 0.03 -0.02 -0.02 0.00 -0.11 0.02 0.01 -0.03 -0.09 -0.02 -0.03 -0.06 -0.01 0.01 -0.09 -0.00 -0.08 0.15 0.01 -0.12 0.08 0.02 0.05 -0.07 0.06 0.10 -0.20 0.03 0.16 0.06 0.24 -0.09 -0.12 -0.20 0.08 -0.15 0.03 -0.00 -0.08 -0.03 -0.02 0.02 0.02 0.11 0.10 -0.16 0.14 0.16 0.17 0.10 0.08 -0.04 -0.16 -0.07 -0.20 0.02 0.11 -0.11 0.02 0.05 -0.06 0.08 -0.01 0.02 -0.06 -0.04 -0.01 -0.01 -0.04 -0.04 -0.06 -0.00 0.05 -0.18 0.06 -0.02 0.01 -0.13 -0.06 -0.09 -0.15 -0.05 -0.26 -0.14 -0.05 0.01 -0.06 -0.00 0.01 -0.08 0.03 -0.00 -0.12 -0.00 0.02 0.01 -0.03 -0.06 0.03 -0.04 0.08 -0.04 -0.02 0.03 0.11 0.04 -0.06 -0.07 0.07 -0.04 0.01 0.02 -0.02 -0.00 0.02 0.10 0.05 -0.05 -0.03 -0.04 -0.01 0.14 -0.12 -0.04 -0.08 -0.04 -0.10 0.01 0.06 0.12 0.01 0.00 -0.01 0.02 -0.01 0.01 0.04 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.03 0.19 0.02 -0.21 -0.14 0.15 0.00 0.12 0.12 -0.14 0.06 0.06 -0.15 -0.07 -0.06 0.00 0.02 0.13 -0.10 0.03 0.04 -0.08 -0.01 -0.07 0.14 0.11 -0.07 -0.20 0.09 0.05 -0.15 -0.00 -0.08 -0.18 -0.12 -0.35 -0.05 0.12 0.16 -0.27 0.08 0.08 0.17 0.24 0.32 -0.01 0.01 -0.01 -0.01 -0.00 -0.02 -0.01 -0.00 -0.01 -0.02 -0.00 0.02 -0.02 -0.00 0.00 0.00 -0.01 -0.02 -0.03 -0.02 -0.01 -0.03 -0.02 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.02 -0.05 0.01 -0.02 -0.08 0.02 -0.01 0.01 0.04 0.08 -0.04 0.04 0.04 -0.00 -0.04 0.01 0.01 0.01 -0.05 0.11 -0.12 0.05 -0.01 0.02 -0.02 -0.03 0.21 -0.12 0.00 -0.05 -0.05 0.01 0.02 0.05 0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.07 -0.01 0.03 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.01 -0.00 0.00 -0.00 -0.02 0.15 0.06 -0.15 -0.01 0.10 -0.00 -0.08 -0.00 0.02 -0.11 -0.01 0.06 0.01 0.08 -0.01 -0.00 -0.13 0.08 -0.00 -0.09 0.07 0.03 0.04 0.28 -0.38 0.13 0.03 -0.23 0.09 0.01 -0.29 -0.33 0.02 -0.08 0.25 0.23 0.07 0.23 -0.07 -0.13 0.09 -0.09 -0.11 0.06 -0.02 0.00 -0.01 -0.00 -0.00 0.01 0.00 -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 -0.05 -0.04 -0.04 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 -0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.04 0.03 0.00 0.01 0.04 -0.06 -0.11 -0.00 -0.03 0.03 0.05 -0.09 0.20 -0.12 0.18 0.05 -0.00 0.04 -0.07 -0.02 -0.00 -0.10 0.02 0.00 0.01 0.01 -0.02 -0.01 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 0.00 0.01 0.01 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 -0.03 -0.07 0.03 -0.03 0.05 -0.06 -0.08 0.06 0.06 -0.08 0.06 0.11 -0.30 0.45 -0.20 0.00 -0.05 0.17 0.35 0.08 0.09 0.13 -0.04 -0.03 -0.07 -0.32 0.08 -0.29 0.09 -0.01 0.03 -0.28 0.06 0.02 -0.02 0.01 -0.03 0.01 -0.03 0.21 -0.02 -0.09 0.07 0.09 0.00 0.01 -0.04 0.01 0.03 0.07 0.06 -0.02 -0.01 -0.02 0.02 -0.04 0.13 0.01 -0.05 -0.01 -0.13 0.00 -0.02 0.05 0.01 -0.00 -0.15 -0.07 -0.05 0.01 0.02 0.01 0.04 -0.02 0.01 -0.07 0.02 -0.04 -0.00 0.00 -0.00 -0.01 0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.04 0.02 0.00 -0.01 -0.00 0.13 0.23 -0.04 -0.08 -0.09 0.06 0.10 0.29 0.24 -0.13 0.07 0.11 -0.14 -0.06 -0.00 -0.06 -0.04 0.18 -0.13 -0.02 0.11 -0.20 0.02 -0.25 0.13 -0.22 0.18 0.17 -0.09 -0.19 0.15 0.00 0.03 0.14 0.07 0.21 -0.14 -0.08 -0.07 -0.12 -0.05 -0.06 -0.17 -0.09 -0.07 0.02 0.00 0.01 -0.01 0.01 -0.05 -0.02 0.01 -0.02 -0.03 0.01 0.04 -0.05 0.02 -0.01 -0.00 -0.01 -0.01 -0.02 -0.02 -0.01 0.04 0.05 0.06 0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 -0.00 0.02 -0.09 0.10 0.03 -0.06 -0.05 -0.11 0.04 0.03 -0.02 0.01 0.04 -0.03 0.02 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.03 0.02 0.01 -0.01 -0.00 -0.06 -0.04 0.03 0.00 -0.02 -0.00 -0.01 -0.02 0.03 0.02 0.02 0.07 0.06 0.06 0.26 -0.14 0.07 -0.13 0.14 -0.15 0.01 -0.00 -0.02 -0.06 0.02 0.00 -0.04 -0.04 -0.01 -0.04 0.15 0.06 0.00 -0.03 0.00 -0.00 -0.03 0.05 -0.09 0.05 -0.04 -0.02 -0.11 -0.06 0.04 -0.05 -0.03 0.09 0.06 0.03 -0.00 -0.00 -0.17 0.08 -0.02 -0.06 0.09 -0.02 0.09 0.04 0.04 -0.02 -0.02 0.00 0.02 -0.02 -0.02 -0.04 -0.02 -0.02 -0.05 0.04 0.03 0.04 -0.01 -0.00 0.02 0.03 0.02 0.04 0.14 -0.00 0.08 -0.02 0.06 -0.42 -0.17 0.10 -0.07 -0.23 0.09 0.27 -0.34 0.17 -0.11 -0.02 -0.06 -0.03 -0.06 -0.08 -0.02 0.01 0.15 0.20 0.00 0.02 0.00 0.04 -0.05 0.01 0.01 -0.02 0.00 0.03 -0.01 0.05 -0.03 -0.03 0.01 -0.09 -0.04 -0.01 0.12 -0.00 0.19 0.08 0.06 -0.07 -0.07 -0.12 -0.02 0.00 0.02 -0.06 0.05 0.17 0.11 0.08 0.07 -0.05 -0.03 -0.07 -0.04 0.03 -0.01 -0.09 -0.11 -0.05 0.01 0.00 -0.00 0.03 -0.08 0.05 -0.03 -0.06 -0.01 -0.02 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 0.30 -0.02 0.17 0.01 -0.01 0.00 -0.05 -0.15 -0.01 -0.08 -0.16 -0.03 -0.02 -0.09 0.01 0.06 0.07 -0.15 0.06 0.06 -0.20 0.14 0.01 0.13 0.13 0.46 -0.01 0.07 0.02 -0.23 0.06 0.10 0.05 0.07 0.04 -0.13 -0.08 -0.00 0.08 -0.21 -0.11 0.01 -0.08 -0.01 0.06 0.05 -0.02 0.04 0.01 -0.02 0.13 0.07 -0.03 0.02 0.09 -0.02 -0.12 0.12 -0.09 0.04 -0.01 -0.00 0.01 0.00 0.01 0.01 0.06 0.02 0.02 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.18 -0.01 -0.10 -0.00 0.03 0.08 0.05 -0.05 -0.03 0.07 -0.06 0.03 0.06 0.04 -0.03 -0.02 -0.05 -0.01 0.01 0.00 0.00 0.02 0.05 0.04 -0.04 0.09 0.04 -0.02 -0.01 -0.00 0.00 -0.00 -0.01 -0.04 -0.02 -0.01 -0.15 -0.04 -0.07 0.11 -0.21 0.08 0.23 0.11 0.04 0.00 -0.01 0.05 0.04 -0.04 -0.08 0.03 0.04 -0.02 -0.04 0.02 -0.00 -0.01 0.05 0.00 0.15 -0.09 0.03 0.16 -0.00 0.00 -0.01 0.02 0.02 -0.05 -0.03 -0.00 -0.08 -0.10 -0.03 0.03 0.02 0.09 -0.03 0.04 -0.03 -0.01 0.02 -0.01 0.00 0.17 -0.01 0.02 0.01 -0.07 0.01 0.04 0.04 0.02 0.02 -0.03 -0.02 -0.01 0.02 -0.05 -0.04 0.00 -0.05 -0.03 -0.00 -0.29 -0.05 -0.10 0.05 0.11 -0.34 -0.16 0.15 0.21 -0.11 0.13 0.18 -0.16 0.16 -0.15 -0.09 0.05 0.10 0.18 0.13 0.06 -0.24 -0.05 -0.01 -0.05 0.07 0.03 -0.02 0.05 0.00 0.03 0.03 0.03 -0.10 -0.06 -0.04 -0.02 0.03 0.04 0.00 -0.00 -0.01 0.04 -0.04 0.01 0.03 0.02 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 -0.02 0.01 0.02 0.02 -0.03 0.01 0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.01 -0.00 0.03 0.05 -0.17 0.15 0.12 0.02 -0.04 -0.09 0.10 0.02 -0.01 -0.06 -0.04 0.07 0.18 0.01 -0.00 0.03 0.03 -0.04 -0.04 0.01 -0.03 -0.00 0.07 -0.06 0.02 0.08 0.01 -0.00 0.00 -0.01 0.01 -0.01 -0.03 -0.00 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.01 -0.03 -0.00 0.01 -0.02 -0.00 0.09 -0.01 0.01 0.01 -0.03 0.00 0.02 0.02 0.01 0.01 -0.02 -0.00 -0.00 0.01 -0.02 -0.02 0.00 -0.02 -0.01 -0.00 0.02 0.15 -0.18 -0.13 -0.12 -0.05 -0.01 -0.12 -0.45 -0.18 -0.12 0.21 -0.25 0.11 0.09 0.28 0.06 -0.23 -0.32 -0.17 -0.15 0.04 -0.05 0.01 0.07 -0.10 -0.06 -0.04 0.01 0.01 -0.07 -0.03 -0.05 0.00 -0.08 -0.01 -0.08 -0.03 -0.01 0.06 -0.12 0.02 -0.12 0.20 -0.05 0.12 0.16 -0.02 -0.09 -0.17 -0.07 0.08 -0.05 0.22 -0.02 -0.04 -0.04 0.10 0.12 -0.09 -0.00 0.01 0.01 -0.00 0.01 0.03 0.01 0.00 -0.00 0.00 -0.00 -0.01 0.02 0.01 0.00 -0.03 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.02 0.00 0.00 0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.00 -0.23 0.35 -0.09 0.08 0.13 0.02 -0.13 -0.15 -0.13 -0.05 -0.05 -0.07 -0.18 -0.24 -0.15 0.10 -0.02 0.42 0.01 0.03 0.15 0.03 0.03 0.19 0.03 -0.25 0.04 -0.00 -0.02 0.06 0.01 -0.03 -0.02 -0.01 -0.00 0.08 -0.04 -0.01 -0.05 0.03 0.05 -0.02 0.03 0.03 -0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.02 -0.00 -0.01 -0.04 -0.02 -0.01 0.02 -0.03 0.01 0.01 0.03 0.01 -0.02 -0.03 -0.02 -0.02 0.01 0.02 0.06 0.01 -0.01 -0.01 -0.01 0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 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 -0.03 -0.02 0.04 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.06 0.05 -0.12 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 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 0.01 0.00 0.00 0.01 0.02 -0.00 0.01 0.03 0.01 0.00 -0.01 0.02 -0.01 -0.00 -0.02 -0.00 0.02 0.02 0.01 0.01 -0.43 -0.33 0.82 -0.01 0.01 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 -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 0.02 0.03 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.12 -0.03 -0.07 -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 0.00 -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 -0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.82 0.20 0.51 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.13 -0.20 -0.14 -0.19 0.09 0.03 -0.03 0.01 0.00 0.01 -0.10 0.05 0.13 0.01 0.27 0.03 0.06 0.03 -0.05 0.03 -0.13 -0.04 -0.03 -0.10 0.22 -0.01 0.01 0.00 0.00 0.00 0.00 0.02 0.07 -0.01 -0.00 -0.01 0.00 -0.01 -0.12 -0.02 -0.02 0.00 -0.09 0.04 -0.00 -0.03 0.00 0.09 0.01 -0.01 -0.04 -0.00 -0.00 -0.03 -0.01 0.09 0.03 -0.00 0.00 -0.00 -0.28 0.14 0.02 0.10 -0.04 0.32 0.04 -0.02 0.01 0.07 -0.00 0.01 0.14 0.14 0.09 -0.03 0.06 -0.09 -0.09 0.06 -0.14 -0.06 0.04 -0.15 -0.15 0.22 -0.18 -0.03 0.06 0.10 -0.03 0.05 0.10 -0.02 0.01 -0.01 0.04 -0.02 -0.01 0.05 -0.03 0.00 -0.07 -0.07 -0.06 -0.10 0.03 -0.13 -0.03 -0.00 0.10 -0.03 0.00 0.10 -0.02 -0.01 0.07 0.06 -0.02 -0.01 -0.12 0.00 0.09 0.14 0.03 0.06 -0.08 0.09 -0.09 -0.05 0.07 0.04 0.01 -0.00 0.03 0.05 -0.04 0.03 -0.07 -0.01 0.06 -0.02 -0.11 -0.02 0.12 -0.07 -0.04 -0.05 -0.14 0.14 -0.13 0.05 0.06 0.08 0.07 0.03 -0.00 0.00 -0.06 -0.05 -0.05 -0.07 0.10 0.27 -0.18 0.00 0.00 -0.00 0.01 0.00 0.02 0.04 0.02 0.01 -0.01 -0.02 0.11 -0.00 0.00 0.00 0.03 -0.00 -0.02 0.03 -0.01 -0.10 -0.02 0.01 0.04 0.02 0.02 0.04 0.00 -0.02 -0.01 0.00 0.01 0.01 -0.18 -0.11 0.14 -0.23 -0.15 0.25 0.08 0.28 0.11 -0.00 0.14 0.07 -0.11 -0.07 -0.02 -0.01 -0.00 0.05 -0.05 0.02 -0.06 -0.08 0.03 -0.17 -0.13 0.19 -0.16 -0.03 0.04 0.06 -0.03 0.03 0.03 -0.01 -0.01 -0.07 0.09 0.01 0.01 0.10 -0.01 0.03 -0.02 -0.04 -0.03 -0.00 -0.08 0.12 0.05 0.01 -0.12 0.03 0.01 -0.06 0.04 0.02 -0.11 -0.06 0.02 0.02 0.20 -0.02 -0.13 -0.19 0.01 -0.09 0.00 -0.03 0.06 0.08 -0.14 -0.06 -0.05 0.04 -0.06 -0.10 0.07 -0.06 0.05 0.00 -0.02 -0.01 0.03 -0.00 -0.04 0.02 0.01 0.02 0.03 -0.03 0.05 -0.03 0.03 -0.01 -0.00 0.00 -0.01 0.00 0.00 0.01 0.01 -0.00 0.01 -0.06 0.03 0.00 -0.00 -0.00 -0.00 0.01 0.02 -0.02 -0.01 -0.01 -0.09 -0.05 0.06 -0.04 -0.04 0.01 0.02 0.02 -0.02 0.02 -0.02 -0.10 -0.03 -0.01 0.03 0.07 0.04 0.08 -0.01 0.01 0.00 0.00 0.03 0.03 0.00 0.06 -0.04 0.06 0.01 -0.00 -0.01 -0.07 -0.03 0.01 -0.03 -0.01 0.05 0.04 0.02 -0.00 0.01 -0.03 0.00 0.00 -0.01 0.02 -0.01 0.03 0.02 -0.03 0.01 0.00 0.00 0.02 0.00 0.00 0.01 -0.00 0.01 0.02 -0.02 -0.01 -0.01 -0.03 -0.01 -0.01 -0.01 -0.00 -0.00 -0.15 -0.11 0.06 0.09 0.05 -0.18 0.01 0.04 0.05 0.07 0.06 -0.18 -0.14 0.02 -0.02 0.43 -0.09 -0.26 -0.36 0.10 -0.18 -0.05 -0.01 0.04 0.18 -0.32 -0.14 -0.14 0.12 -0.15 -0.24 0.19 -0.13 -0.02 0.02 0.02 0.01 -0.02 -0.01 -0.04 0.03 0.01 0.09 0.03 -0.01 -0.01 -0.05 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.02 0.12 0.01 -0.16 -0.01 0.03 -0.03 0.10 0.00 -0.07 0.00 0.09 0.24 -0.16 -0.09 -0.08 -0.04 -0.00 0.04 0.00 0.02 0.02 0.02 -0.01 -0.01 0.02 0.00 -0.06 0.00 0.00 0.05 -0.01 -0.00 -0.03 0.01 -0.02 -0.00 -0.00 -0.00 -0.02 -0.02 -0.00 0.02 -0.10 -0.14 0.09 -0.01 -0.03 -0.01 -0.02 -0.02 -0.01 0.01 0.01 0.00 0.01 0.01 -0.10 0.04 -0.02 -0.00 0.06 -0.05 0.11 0.24 -0.05 -0.15 -0.08 0.12 0.45 -0.05 0.04 0.16 -0.05 0.03 0.18 -0.16 -0.06 -0.04 -0.32 -0.13 -0.09 -0.12 -0.05 -0.03 -0.04 -0.03 0.04 0.01 -0.01 -0.06 0.02 -0.01 -0.11 0.00 -0.01 -0.04 -0.04 0.06 0.04 -0.13 0.12 0.08 0.14 -0.11 0.07 -0.01 -0.03 0.01 -0.11 0.15 0.08 0.01 0.00 0.09 0.12 -0.14 0.07 -0.00 0.04 -0.05 0.00 0.04 -0.05 0.07 -0.01 -0.02 -0.03 -0.06 0.06 0.04 0.18 0.05 -0.02 -0.05 -0.03 0.02 -0.00 -0.02 0.00 -0.06 0.01 -0.08 -0.16 0.06 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.03 0.00 -0.02 -0.03 0.13 -0.01 0.02 0.04 0.01 0.00 -0.03 0.04 -0.01 -0.14 -0.01 0.02 0.08 0.00 0.00 -0.04 0.00 -0.01 -0.00 0.00 -0.00 -0.03 -0.08 0.02 0.05 0.01 0.27 -0.03 -0.00 -0.03 0.00 -0.04 -0.10 -0.03 -0.02 -0.05 -0.00 0.01 -0.01 0.15 -0.07 0.03 -0.00 -0.08 0.05 -0.14 -0.15 0.39 -0.15 -0.02 0.04 -0.02 -0.02 0.05 0.06 0.00 -0.00 -0.09 0.13 0.02 0.04 0.07 -0.05 0.03 -0.08 -0.08 -0.03 -0.13 -0.09 0.11 0.05 -0.00 -0.13 0.06 -0.01 -0.14 0.06 0.01 -0.16 0.03 0.05 0.11 -0.16 0.15 0.11 0.19 -0.17 0.09 -0.01 -0.02 0.05 -0.15 0.18 0.11 -0.01 0.03 0.13 0.16 -0.22 0.09 -0.03 0.03 -0.00 0.02 0.01 -0.03 0.06 -0.00 -0.02 -0.00 -0.03 0.06 -0.01 0.13 0.00 -0.02 -0.04 -0.03 0.01 -0.00 -0.00 0.04 -0.05 -0.05 -0.08 -0.08 0.03 0.03 0.01 -0.03 0.01 0.02 0.08 -0.04 -0.01 -0.03 0.10 0.04 -0.02 0.02 -0.02 -0.04 -0.01 -0.01 0.01 -0.04 0.01 0.13 0.01 0.01 -0.11 -0.02 -0.01 0.05 0.00 -0.00 -0.00 0.00 -0.02 0.04 -0.05 -0.04 0.07 -0.08 0.15 -0.01 0.00 0.01 0.02 -0.05 -0.07 -0.02 -0.05 -0.07 -0.02 0.01 -0.01 0.07 -0.02 0.01 0.01 -0.04 0.01 -0.07 -0.01 0.26 -0.17 -0.05 0.07 0.16 -0.04 0.05 0.09 -0.02 0.01 -0.01 0.04 -0.01 0.02 -0.06 -0.08 -0.01 -0.10 -0.08 -0.03 0.15 0.11 -0.02 -0.03 0.01 0.15 -0.04 0.01 0.17 -0.03 0.00 0.11 0.11 -0.12 -0.08 0.17 -0.23 -0.12 -0.25 0.22 -0.10 0.04 0.01 -0.01 0.20 -0.24 -0.14 0.06 -0.08 -0.17 -0.20 0.28 -0.12 0.02 0.01 0.04 0.00 -0.02 -0.00 -0.04 0.02 -0.01 0.01 0.06 -0.07 -0.00 -0.06 -0.01 -0.00 0.02 0.01 0.01 -0.00 0.06 0.06 -0.14 0.07 0.01 0.03 -0.02 -0.01 0.03 -0.01 0.00 -0.02 -0.00 -0.02 0.04 -0.02 -0.04 0.01 -0.04 -0.01 -0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 0.02 0.02 -0.02 0.01 0.01 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.00 0.01 0.14 -0.09 -0.07 -0.13 0.06 -0.00 -0.03 -0.01 0.02 -0.00 -0.00 0.04 0.05 0.02 0.01 -0.01 0.01 0.03 -0.03 0.08 0.02 -0.04 0.06 -0.29 0.71 -0.23 -0.01 0.06 -0.06 -0.02 0.08 0.11 0.01 0.00 -0.14 0.23 0.03 0.09 0.03 -0.13 0.04 -0.18 -0.16 -0.04 0.02 0.02 -0.03 -0.01 -0.00 -0.00 -0.01 0.00 0.00 -0.02 0.00 0.04 -0.14 0.07 -0.06 0.02 0.03 -0.01 0.01 -0.01 -0.00 -0.01 -0.01 -0.02 -0.02 0.03 0.01 -0.01 0.01 0.01 0.00 0.00 0.01 -0.07 -0.04 -0.10 -0.01 0.01 0.04 -0.03 0.02 -0.01 0.04 0.01 -0.07 -0.02 -0.06 0.02 -0.01 0.01 -0.00 0.01 0.00 0.04 0.03 -0.01 0.04 0.00 0.06 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.07 -0.04 0.10 0.06 -0.01 0.04 -0.01 0.02 -0.02 0.01 0.01 -0.05 -0.08 0.12 -0.04 -0.05 0.02 0.00 -0.01 0.02 0.01 0.04 -0.07 0.01 0.06 0.04 -0.09 0.03 -0.08 0.03 -0.00 -0.04 -0.01 0.00 -0.03 -0.01 0.05 0.05 0.02 -0.00 -0.01 -0.01 0.03 -0.02 0.07 0.02 -0.02 0.05 -0.07 0.12 -0.01 0.01 -0.00 -0.05 0.00 0.02 0.02 0.01 0.01 -0.02 0.04 0.01 0.02 -0.02 -0.03 0.00 -0.03 -0.03 0.00 -0.09 -0.07 0.07 0.02 -0.01 0.03 0.06 -0.03 -0.07 0.04 -0.03 -0.08 0.72 -0.35 0.28 -0.09 -0.14 0.05 -0.04 0.06 0.01 0.01 0.02 0.04 0.08 -0.15 -0.02 0.03 -0.07 -0.05 -0.01 -0.02 -0.03 -0.02 -0.00 -0.03 -0.01 -0.00 -0.01 -0.02 0.02 -0.00 0.04 -0.02 -0.04 0.02 -0.02 0.06 -0.02 0.00 -0.00 0.01 0.00 0.01 -0.00 0.02 0.01 0.01 0.01 -0.01 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.04 0.03 0.10 -0.00 0.07 0.00 0.01 -0.03 -0.03 0.02 0.01 -0.01 0.14 0.03 -0.04 -0.11 0.00 0.02 0.02 -0.05 -0.01 -0.01 -0.12 0.02 0.00 0.08 -0.06 0.08 0.01 0.03 -0.01 -0.07 -0.02 0.01 -0.04 -0.02 0.06 0.06 0.03 0.00 -0.00 0.03 -0.01 0.00 0.03 -0.01 0.01 -0.02 -0.02 -0.04 0.04 0.01 -0.01 -0.05 0.01 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.01 0.00 -0.12 0.02 0.09 -0.01 -0.00 -0.04 -0.00 0.00 -0.08 -0.03 0.00 0.05 -0.30 0.37 -0.21 -0.08 0.11 -0.00 -0.12 0.21 -0.00 0.02 -0.06 0.02 0.11 0.13 -0.09 0.42 -0.44 -0.06 0.00 0.28 -0.01 -0.08 0.01 -0.04 -0.02 -0.01 -0.02 -0.01 0.12 -0.07 0.13 -0.13 -0.11 -0.09 0.01 0.14 -0.08 -0.04 -0.06 0.07 0.02 0.10 0.01 0.07 0.03 0.01 0.04 -0.04 0.00 -0.00 0.02 -0.01 -0.01 -0.02 -0.01 -0.01 -0.01 0.17 0.01 0.06 -0.05 -0.01 -0.04 -0.02 -0.00 -0.01 -0.02 -0.01 0.02 0.00 -0.09 0.03 0.07 -0.04 -0.01 -0.00 0.01 0.00 -0.03 0.10 -0.01 0.05 0.16 -0.17 -0.01 0.10 0.06 -0.01 -0.16 -0.01 -0.07 -0.28 -0.10 0.14 0.12 0.10 -0.04 -0.07 0.09 0.03 -0.08 0.35 -0.08 -0.02 -0.11 -0.04 -0.11 0.10 0.03 -0.02 -0.11 0.02 0.01 0.03 0.02 0.01 -0.01 -0.02 0.00 0.01 -0.05 -0.01 -0.01 0.01 0.01 0.02 0.18 0.05 0.05 0.02 0.02 0.02 -0.02 0.03 0.15 0.03 0.03 -0.04 -0.34 0.06 -0.11 0.11 -0.02 -0.04 0.05 -0.17 -0.01 0.03 0.02 0.01 -0.09 0.03 0.04 -0.20 0.23 0.05 -0.02 -0.08 0.01 -0.08 -0.06 -0.19 0.00 0.06 0.12 -0.01 -0.07 0.03 -0.08 0.10 0.02 0.01 -0.04 -0.14 0.06 0.03 0.04 -0.06 -0.01 -0.03 0.02 -0.05 0.00 0.00 0.02 0.06 0.00 0.01 -0.02 0.00 0.01 0.02 0.00 0.00 -0.01 0.25 -0.04 0.15 -0.07 0.02 -0.02 -0.05 0.01 -0.02 -0.02 -0.02 -0.01 0.06 -0.06 0.03 0.03 -0.03 0.00 -0.01 0.04 0.01 -0.03 0.04 -0.00 0.07 -0.24 0.10 -0.01 -0.15 -0.05 0.01 0.16 0.03 0.02 0.20 0.08 -0.13 -0.11 -0.08 0.03 0.05 -0.14 0.03 0.03 -0.21 0.11 -0.03 0.18 0.02 0.12 -0.06 -0.01 0.01 0.06 -0.01 -0.01 -0.01 -0.01 -0.00 0.02 0.02 0.01 0.01 -0.02 -0.02 -0.00 -0.00 -0.00 0.01 0.10 -0.04 0.11 0.05 0.04 0.00 -0.00 0.03 0.16 0.06 0.04 -0.13 -0.47 0.25 -0.18 0.07 0.05 -0.04 0.01 -0.07 -0.01 0.04 0.05 0.05 -0.04 0.08 0.01 -0.01 0.04 0.02 -0.01 0.03 0.01 0.01 -0.00 -0.00 0.00 0.01 0.01 0.00 0.02 -0.01 0.02 0.00 0.01 -0.01 0.00 -0.01 -0.00 -0.01 -0.01 0.00 0.02 0.02 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.04 0.04 0.06 0.09 0.01 -0.07 -0.10 -0.01 0.06 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 0.01 -0.07 -0.06 0.05 0.01 0.03 0.02 -0.04 -0.03 -0.00 -0.03 -0.03 -0.00 -0.02 -0.01 -0.07 0.04 -0.04 0.08 0.01 -0.04 0.01 -0.04 -0.02 0.01 -0.13 0.09 0.38 -0.16 -0.12 -0.33 -0.13 -0.20 -0.30 -0.19 -0.20 -0.25 0.39 0.16 0.05 -0.21 -0.13 -0.28 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.07 -0.04 -0.01 0.00 0.03 0.05 0.04 0.09 -0.01 0.01 -0.01 0.02 -0.08 0.02 -0.06 -0.01 -0.10 -0.04 0.02 0.10 0.04 -0.01 -0.02 -0.02 0.02 0.01 0.04 -0.01 -0.01 -0.01 -0.02 -0.00 0.02 0.03 0.01 -0.01 -0.02 -0.05 -0.04 -0.01 -0.00 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.02 0.01 0.01 0.01 -0.02 0.04 0.00 -0.01 0.03 0.01 0.01 -0.04 0.00 0.05 -0.21 0.07 -0.27 -0.12 0.09 -0.04 0.10 -0.01 -0.10 0.03 0.01 -0.21 -0.25 -0.13 -0.17 -0.09 -0.37 0.19 -0.22 0.48 -0.03 -0.18 -0.14 -0.04 -0.02 -0.02 0.03 -0.02 -0.09 0.03 0.03 0.08 0.03 0.05 0.06 0.04 0.04 0.04 -0.05 -0.02 -0.00 0.05 0.03 0.05 -0.02 -0.10 -0.04 0.02 0.01 -0.01 0.01 -0.00 0.01 0.02 0.00 -0.05 -0.04 0.07 -0.00 -0.01 0.10 -0.00 -0.02 0.08 -0.00 -0.02 0.04 -0.00 0.03 0.01 -0.01 0.09 -0.10 -0.00 0.03 0.01 0.00 -0.03 0.01 0.00 -0.00 -0.01 -0.01 0.03 -0.00 0.09 -0.02 0.03 -0.02 0.01 -0.05 0.05 -0.02 -0.07 0.08 0.01 0.06 -0.10 0.03 0.00 0.03 0.00 0.02 -0.02 0.01 0.01 0.00 0.01 0.00 -0.00 -0.02 -0.00 -0.01 0.00 0.02 0.03 0.01 0.00 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.01 -0.00 -0.00 -0.01 0.01 -0.02 -0.00 0.01 -0.02 -0.00 -0.01 0.02 -0.00 0.00 -0.02 -0.01 0.25 0.20 -0.20 -0.23 -0.24 -0.30 0.24 0.40 0.07 -0.08 -0.11 -0.28 -0.14 -0.08 -0.13 -0.02 -0.08 0.21 -0.17 -0.03 -0.37 0.01 0.06 0.01 -0.02 0.02 0.06 -0.02 -0.01 -0.02 -0.01 -0.02 -0.05 0.01 -0.00 0.01 -0.03 -0.03 -0.00 -0.03 -0.02 -0.00 -0.00 0.05 0.02 -0.01 -0.01 0.01 -0.00 -0.00 -0.02 -0.01 -0.00 0.03 0.02 -0.03 -0.00 0.01 -0.06 0.00 0.01 -0.04 0.00 0.01 -0.02 0.00 -0.01 -0.00 0.00 -0.04 0.04 0.00 -0.02 0.00 -0.00 -0.04 0.02 -0.01 -0.00 -0.00 -0.02 -0.02 -0.01 -0.00 0.05 -0.02 0.00 0.11 0.03 -0.03 0.02 -0.01 0.03 -0.03 0.04 0.02 -0.03 -0.00 -0.04 -0.01 -0.05 0.01 -0.02 -0.01 0.01 -0.03 -0.01 -0.01 0.02 0.01 0.02 -0.04 0.05 0.07 0.03 0.03 -0.01 0.01 -0.02 -0.03 0.03 0.03 0.02 0.01 0.00 -0.03 0.02 -0.10 -0.01 0.01 -0.04 -0.01 -0.04 0.08 0.01 -0.10 0.21 -0.04 -0.26 -0.40 0.41 -0.04 0.03 -0.05 0.05 0.15 0.05 -0.07 -0.08 -0.10 -0.05 0.01 -0.27 0.13 -0.08 0.11 0.08 -0.12 0.10 -0.08 -0.06 -0.02 0.04 -0.04 -0.13 0.04 0.01 0.04 0.03 0.04 0.07 -0.02 -0.02 -0.03 0.10 0.05 0.02 0.02 0.01 -0.03 -0.09 0.12 0.05 -0.07 -0.04 0.02 0.00 -0.02 -0.19 -0.08 -0.03 0.17 0.09 -0.04 -0.01 -0.01 -0.24 0.03 0.04 -0.12 0.01 0.01 -0.05 0.01 -0.03 0.00 -0.01 -0.09 0.10 -0.03 -0.09 0.09 -0.02 -0.06 0.05 0.03 -0.00 -0.02 -0.04 -0.02 -0.04 0.01 0.03 -0.04 -0.01 0.08 0.03 -0.03 -0.00 0.02 0.07 -0.01 0.01 -0.01 -0.01 0.02 -0.01 -0.01 -0.04 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 0.01 0.08 -0.02 -0.06 -0.02 -0.04 0.00 -0.00 0.01 0.03 -0.04 -0.05 -0.01 -0.03 -0.01 0.05 -0.03 0.13 0.02 -0.01 0.02 0.00 0.06 -0.09 -0.02 -0.12 0.35 -0.10 -0.21 -0.26 0.27 -0.10 -0.15 -0.16 0.19 0.23 0.04 0.05 0.05 -0.11 -0.02 -0.01 -0.05 0.02 -0.02 0.03 0.00 -0.03 -0.01 -0.02 -0.08 0.02 0.01 0.00 -0.07 0.01 0.03 0.06 0.01 0.01 -0.02 0.03 -0.00 -0.00 0.04 0.00 0.01 -0.04 -0.03 -0.02 0.14 -0.04 -0.05 0.12 0.07 -0.07 -0.04 0.05 0.32 0.09 0.08 -0.21 -0.08 -0.03 0.02 0.03 0.31 -0.05 -0.07 0.11 -0.01 -0.00 0.03 -0.01 0.01 -0.01 0.02 0.07 -0.09 0.05 0.13 -0.15 0.02 -0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 0.00 -0.01 0.01 0.00 0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.04 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.04 0.09 -0.03 0.03 -0.08 0.03 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 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 -0.00 0.02 -0.04 0.00 -0.01 -0.01 0.03 -0.01 -0.02 -0.01 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.01 -0.02 -0.15 0.38 -0.14 0.07 -0.20 0.05 0.11 -0.22 -0.36 -0.03 0.01 0.44 -0.37 -0.06 -0.14 -0.05 0.16 -0.05 0.30 0.25 0.06 0.01 0.01 -0.00 0.01 0.01 -0.01 -0.01 0.01 0.04 0.01 0.01 -0.02 -0.00 -0.01 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 -0.01 0.01 0.02 -0.02 0.00 -0.04 0.01 0.01 -0.01 -0.01 -0.03 0.01 0.03 0.03 0.03 0.07 -0.00 0.05 -0.04 0.09 0.03 -0.04 -0.06 -0.06 0.03 0.00 -0.02 -0.03 -0.04 0.01 -0.01 -0.03 -0.02 -0.00 0.00 -0.02 -0.02 0.00 0.01 0.02 0.03 0.00 0.13 0.02 0.00 -0.01 -0.01 0.01 -0.03 -0.03 -0.02 -0.06 0.01 -0.02 0.00 0.01 -0.01 0.04 0.02 0.02 -0.06 -0.01 0.03 -0.02 -0.02 0.08 -0.23 0.08 0.30 0.12 -0.08 0.09 0.25 0.16 -0.20 -0.11 0.00 -0.18 -0.20 0.01 -0.00 0.06 -0.28 0.10 -0.03 -0.06 0.12 -0.08 0.20 -0.01 -0.04 -0.04 0.02 -0.01 -0.12 0.02 0.04 0.09 0.03 0.04 0.00 0.03 -0.03 -0.03 0.15 0.04 0.03 -0.05 -0.04 -0.06 -0.03 0.26 0.00 0.11 0.07 -0.16 -0.09 0.08 0.30 0.03 0.11 -0.08 0.04 -0.13 0.03 0.04 0.12 -0.04 -0.06 -0.05 -0.00 0.03 -0.06 -0.01 -0.03 -0.00 0.03 -0.03 0.03 0.05 0.07 -0.13 0.02 0.06 -0.07 -0.03 0.01 0.02 0.06 -0.01 -0.01 -0.03 -0.04 -0.04 0.01 -0.04 0.02 -0.09 -0.02 0.03 0.02 0.05 -0.01 0.01 0.00 0.02 0.03 0.00 0.02 0.03 0.02 0.00 -0.00 0.03 0.01 0.00 0.00 -0.01 -0.03 -0.04 0.18 0.02 -0.01 0.01 0.00 -0.00 -0.04 -0.04 -0.00 -0.10 0.00 -0.01 0.04 0.01 0.01 -0.03 0.02 0.03 -0.08 -0.01 -0.02 0.01 -0.01 -0.03 0.04 -0.01 -0.21 -0.13 0.06 -0.03 -0.12 -0.06 0.08 0.01 -0.02 0.11 0.13 0.03 -0.01 -0.06 0.20 -0.06 0.00 0.10 -0.10 0.05 -0.16 0.01 0.01 0.04 -0.03 0.03 0.13 -0.03 -0.02 -0.07 -0.03 -0.04 -0.04 0.01 0.04 0.05 -0.15 -0.06 -0.03 0.04 0.02 0.07 -0.14 0.35 -0.01 0.16 0.10 -0.36 -0.16 0.14 0.39 0.01 0.20 -0.06 0.16 -0.08 0.08 0.04 0.02 -0.02 -0.04 -0.11 -0.01 0.04 -0.09 -0.01 -0.05 0.09 0.01 0.02 -0.02 0.03 0.02 -0.00 0.02 0.03 -0.03 -0.04 0.00 0.01 0.02 -0.01 -0.00 -0.01 -0.01 -0.02 -0.00 -0.01 0.01 -0.02 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 0.01 0.01 -0.02 0.01 0.01 0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.06 0.02 0.10 0.04 0.01 -0.10 0.01 -0.00 -0.04 0.02 0.07 0.07 -0.00 -0.09 -0.04 -0.08 0.12 0.04 0.01 -0.03 -0.00 0.12 -0.03 -0.05 -0.01 -0.00 -0.00 -0.04 -0.06 0.04 -0.00 -0.01 -0.01 0.01 0.01 0.00 0.01 0.01 0.00 -0.00 -0.01 0.05 -0.01 -0.00 0.03 -0.02 0.01 -0.03 -0.01 -0.00 0.02 -0.01 0.01 0.05 -0.01 -0.01 -0.03 -0.01 -0.02 -0.02 0.01 0.02 0.02 -0.07 -0.03 -0.01 0.02 0.01 0.03 -0.09 0.16 0.09 -0.14 -0.07 0.20 0.04 -0.05 -0.21 -0.10 -0.11 0.24 -0.26 -0.32 -0.17 0.04 0.17 -0.08 -0.17 -0.06 -0.00 0.00 -0.04 0.02 -0.03 -0.20 0.10 -0.23 0.23 0.09 0.14 -0.43 0.01 -0.02 0.01 -0.01 0.00 0.00 0.01 0.01 0.03 0.02 0.03 0.08 0.07 0.03 -0.05 -0.03 -0.08 0.02 -0.01 0.07 -0.01 -0.03 -0.01 -0.04 -0.09 0.01 0.00 -0.01 -0.04 -0.02 -0.03 -0.05 -0.02 0.02 0.01 0.03 0.08 0.01 -0.00 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.19 -0.30 0.15 -0.11 -0.15 0.07 -0.03 -0.26 -0.05 0.03 -0.18 -0.08 0.20 0.22 0.11 -0.02 -0.07 0.25 -0.11 0.02 0.11 -0.16 0.08 -0.29 0.12 -0.02 -0.11 0.04 -0.03 -0.20 0.05 0.06 0.16 0.06 0.09 0.09 -0.03 -0.10 -0.13 0.36 0.15 0.07 -0.07 -0.04 -0.15 -0.01 0.00 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.02 -0.01 -0.02 -0.01 0.00 0.01 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.02 0.00 0.01 -0.02 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 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 -0.03 0.06 0.00 0.11 -0.07 0.04 0.01 -0.01 -0.02 -0.13 0.06 -0.05 0.01 0.01 0.00 0.00 -0.02 0.00 0.01 -0.03 -0.01 -0.01 0.01 0.00 0.00 -0.01 0.01 -0.01 -0.04 0.03 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.02 -0.01 -0.00 0.02 -0.01 0.01 -0.02 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.08 0.13 -0.01 0.04 0.04 0.60 0.28 -0.14 0.12 0.28 -0.18 -0.54 -0.14 0.11 -0.05 0.00 -0.04 0.00 0.01 -0.04 0.01 0.01 -0.03 -0.00 -0.01 0.01 -0.00 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.07 0.04 0.01 -0.01 -0.01 -0.03 -0.00 0.00 0.01 -0.07 0.04 0.05 0.12 -0.06 0.00 -0.03 0.03 -0.06 0.04 0.05 -0.01 -0.07 -0.01 0.04 0.03 -0.03 -0.02 -0.01 0.01 0.01 0.08 0.02 -0.00 0.04 -0.02 -0.08 0.02 -0.01 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.01 0.00 0.01 -0.02 -0.24 0.12 0.12 -0.24 0.16 0.09 -0.00 0.11 -0.12 -0.27 -0.08 0.09 0.12 0.17 -0.09 -0.06 -0.04 0.03 -0.08 0.25 -0.07 -0.04 -0.19 -0.14 -0.06 0.07 -0.08 0.09 0.29 -0.11 -0.05 -0.15 -0.07 -0.12 -0.16 0.09 0.14 0.16 -0.34 -0.14 -0.07 0.11 0.06 0.19 0.02 -0.02 -0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.02 -0.00 -0.01 0.00 0.00 0.03 0.01 -0.04 -0.03 0.02 0.03 0.03 0.01 -0.00 0.00 -0.00 0.02 -0.05 -0.01 -0.02 0.02 -0.02 -0.02 0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.05 0.02 0.04 -0.01 -0.05 0.00 0.01 0.00 -0.01 0.02 0.04 -0.06 0.04 -0.06 0.12 -0.02 0.09 -0.00 0.01 0.00 -0.10 -0.02 -0.06 0.01 -0.05 0.01 0.01 -0.02 0.02 0.01 -0.00 0.01 -0.01 -0.02 -0.01 0.01 0.01 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.02 -0.01 0.01 -0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.01 -0.01 -0.02 0.00 0.01 0.01 -0.03 -0.01 -0.01 0.02 0.01 0.02 -0.01 -0.06 0.03 -0.04 -0.01 0.10 0.02 -0.02 -0.02 -0.01 -0.03 0.05 0.03 -0.31 -0.05 0.33 0.38 -0.14 -0.18 -0.16 -0.07 -0.01 0.01 0.01 -0.18 0.49 0.02 0.27 -0.25 0.15 0.18 0.07 0.10 0.01 -0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 0.01 -0.03 -0.00 0.03 0.02 0.00 -0.01 0.01 -0.01 -0.02 -0.01 0.01 -0.02 0.02 -0.00 0.00 -0.00 -0.05 0.16 -0.04 0.04 -0.10 0.03 0.03 -0.11 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 0.05 -0.17 0.01 -0.07 -0.05 0.10 -0.03 -0.02 -0.04 0.03 0.05 0.01 -0.01 -0.02 -0.04 0.03 0.02 0.04 -0.02 0.02 -0.07 0.01 0.02 0.04 -0.06 -0.00 0.02 -0.08 0.23 -0.09 -0.14 0.20 0.33 0.06 0.01 -0.43 -0.42 -0.04 -0.11 -0.12 0.21 -0.09 0.34 0.28 0.04 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.01 -0.01 0.00 0.01 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.02 0.00 -0.01 0.00 0.01 0.02 -0.01 -0.03 -0.02 -0.03 -0.04 0.10 0.01 -0.08 -0.06 0.00 0.03 -0.03 0.01 0.05 0.03 0.00 -0.01 -0.02 0.01 -0.00 0.01 -0.04 0.01 -0.05 0.00 -0.01 0.03 0.02 -0.02 0.04 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 -0.22 0.65 -0.07 0.24 0.18 -0.33 0.08 0.06 0.10 -0.05 -0.11 -0.03 0.05 0.07 0.09 -0.08 -0.05 -0.16 0.08 -0.08 0.21 -0.02 -0.09 -0.08 0.17 0.10 -0.08 -0.03 0.06 0.02 -0.02 0.06 0.11 0.01 0.01 -0.05 -0.12 -0.04 -0.06 0.10 0.12 0.00 0.10 0.08 -0.03 -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 -0.02 -0.01 0.01 0.01 -0.01 -0.01 -0.02 -0.00 0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.01 -0.01 -0.02 0.00 0.00 0.01 -0.02 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 0.09 0.03 -0.06 -0.10 0.02 0.00 -0.01 -0.03 0.04 0.06 -0.02 -0.14 -0.11 0.06 0.11 0.08 -0.09 0.01 -0.03 -0.00 -0.03 -0.04 0.05 -0.01 0.02 -0.00 0.02 -0.02 0.01 0.01 0.03 0.01 -0.01 0.01 0.01 -0.02 -0.03 -0.01 -0.00 -0.01 0.04 -0.02 0.00 0.02 -0.02 0.01 -0.03 0.02 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 -0.01 0.06 0.38 0.01 -0.14 -0.09 0.08 0.06 -0.06 -0.31 -0.07 -0.13 0.15 0.02 0.01 0.15 -0.04 0.21 0.04 0.26 0.50 -0.03 0.02 -0.03 0.01 0.12 0.05 -0.09 0.16 -0.18 -0.10 -0.07 0.27 -0.01 -0.02 0.01 0.01 -0.01 0.01 0.01 0.18 -0.07 -0.05 -0.02 0.01 -0.01 -0.05 0.01 0.00 -0.11 0.04 0.03 -0.10 0.03 0.03 0.00 -0.00 0.01 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.02 0.00 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 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.05 -0.13 0.02 -0.10 0.13 -0.10 -0.07 -0.41 -0.12 0.20 -0.13 -0.10 0.30 0.33 0.07 0.01 0.10 -0.41 0.22 -0.07 -0.10 0.18 -0.17 0.30 -0.00 -0.01 0.01 -0.00 0.00 0.02 -0.01 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 0.01 0.01 -0.02 -0.01 -0.00 -0.01 -0.01 0.01 -0.07 0.07 -0.01 -0.02 -0.01 0.02 0.01 -0.01 -0.03 -0.00 -0.02 0.01 -0.00 -0.01 0.01 -0.01 0.00 0.00 0.01 0.03 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.07 0.04 0.02 -0.01 0.02 0.04 -0.02 0.06 0.04 0.12 0.03 0.02 -0.04 -0.03 -0.03 0.01 -0.04 0.00 0.01 -0.05 -0.02 -0.09 -0.05 -0.04 0.18 -0.08 -0.01 -0.04 -0.02 0.00 0.03 0.02 0.01 0.04 0.01 -0.02 -0.00 0.01 0.01 0.01 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.19 0.22 -0.04 -0.57 0.35 -0.31 -0.03 0.05 -0.02 -0.02 0.07 0.03 -0.09 -0.11 -0.08 0.05 0.01 0.13 -0.11 0.08 -0.16 -0.03 0.11 0.00 -0.22 -0.07 -0.03 -0.03 0.03 0.13 -0.07 -0.03 -0.08 -0.06 -0.07 -0.07 0.05 0.06 0.07 -0.08 -0.04 -0.02 0.06 0.03 0.08 -0.15 0.08 -0.03 -0.01 -0.00 0.02 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 -0.02 -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 -0.01 -0.00 -0.08 0.05 0.02 -0.02 0.01 0.01 -0.04 -0.03 0.05 -0.15 -0.05 -0.06 0.01 -0.00 -0.03 0.03 0.02 -0.04 0.03 0.02 -0.02 0.15 0.07 0.05 0.19 -0.09 -0.01 0.13 0.06 0.05 -0.07 -0.04 -0.03 -0.08 -0.02 0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.47 -0.26 0.03 -0.34 0.09 -0.08 0.09 0.16 0.10 -0.13 -0.11 -0.01 -0.05 -0.04 0.08 -0.06 -0.06 0.01 -0.03 -0.01 0.10 -0.07 -0.00 -0.15 0.04 0.02 0.08 0.07 -0.08 -0.32 0.14 0.04 0.13 0.11 0.14 0.10 -0.10 -0.09 -0.10 -0.00 -0.00 0.00 -0.13 -0.07 -0.11 -0.16 0.07 -0.03 -0.01 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.02 -0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.04 0.03 0.02 -0.02 0.00 -0.02 -0.07 -0.03 -0.10 -0.08 -0.03 -0.09 -0.02 0.05 0.04 0.04 0.01 0.04 0.02 0.00 0.04 0.02 0.04 0.07 0.11 -0.07 -0.00 -0.12 -0.10 -0.16 0.05 0.04 0.06 0.04 0.03 0.05 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.30 -0.26 -0.08 0.05 -0.04 0.11 -0.03 0.11 -0.04 0.04 0.16 0.06 -0.04 -0.05 -0.08 -0.02 -0.03 0.05 0.02 -0.03 0.11 0.00 -0.04 0.01 0.59 0.19 -0.03 -0.07 0.08 0.29 -0.10 0.01 -0.02 -0.07 -0.07 0.01 0.08 -0.01 0.01 0.26 0.11 0.05 0.05 0.05 -0.02 -0.10 0.03 -0.02 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.01 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 -0.00 0.00 -0.00 -0.00 -0.05 -0.05 0.05 0.15 0.15 -0.14 0.00 0.00 0.01 -0.05 -0.05 0.04 -0.06 -0.03 0.08 0.04 0.00 -0.14 -0.00 0.01 0.00 -0.01 -0.01 0.09 0.00 0.01 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.17 -0.29 0.05 0.11 0.07 0.04 -0.06 0.06 0.36 -0.00 0.11 -0.04 -0.24 -0.44 -0.04 -0.16 0.13 0.05 0.33 0.05 0.03 -0.01 0.01 0.00 0.18 -0.09 -0.10 0.04 -0.07 -0.18 -0.19 0.24 -0.05 0.01 -0.01 -0.01 0.01 -0.01 0.01 0.12 0.11 0.19 0.00 -0.04 -0.08 0.04 -0.04 -0.03 -0.04 -0.03 -0.06 -0.04 -0.03 -0.06 0.04 0.03 0.09 -0.05 0.05 -0.01 -0.10 -0.07 -0.10 0.04 0.02 0.02 0.02 0.02 0.03 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.63 0.03 -0.03 -0.31 -0.10 0.07 0.03 -0.11 0.01 -0.13 -0.24 -0.07 -0.06 -0.05 0.07 0.07 0.07 -0.07 -0.06 0.08 -0.26 -0.03 0.09 0.01 0.17 0.09 0.05 -0.06 0.06 0.21 -0.05 0.03 0.01 -0.02 -0.04 0.04 0.07 0.01 0.03 0.16 0.07 0.03 0.05 0.05 0.01 0.09 -0.03 0.02 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 -0.00 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 -0.01 -0.01 -0.03 -0.04 0.02 0.00 0.00 -0.00 0.01 0.01 0.01 0.02 0.04 -0.04 -0.02 -0.02 -0.03 -0.00 0.00 0.00 0.02 0.01 0.09 0.02 -0.00 -0.00 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 0.12 0.16 0.00 -0.02 -0.00 -0.02 0.00 -0.02 -0.09 0.03 -0.00 -0.02 0.05 -0.00 -0.03 -0.07 0.63 -0.02 0.03 -0.62 0.04 -0.00 0.00 0.00 0.18 -0.20 -0.06 -0.02 0.00 -0.15 -0.19 0.12 -0.04 0.00 0.00 -0.02 0.00 0.00 0.00 -0.01 -0.06 0.03 0.01 0.00 -0.02 0.01 0.01 0.02 0.00 0.02 -0.02 0.00 0.02 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.07 -0.12 0.03 0.04 0.02 -0.08 0.01 0.01 -0.02 -0.02 -0.02 0.02 -0.01 0.01 0.04 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.00 -0.00 -0.01 0.14 0.01 -0.05 -0.17 0.10 -0.03 0.05 0.02 0.06 -0.02 -0.02 -0.01 0.01 0.02 0.08 -0.05 -0.03 -0.05 0.01 -0.01 0.03 -0.01 -0.05 -0.05 0.02 0.00 -0.00 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.55 0.61 0.08 0.04 0.02 0.03 -0.01 0.01 0.13 -0.02 0.03 0.01 0.15 0.33 0.15 0.01 -0.06 0.00 -0.01 0.07 0.00 -0.02 0.01 0.02 -0.03 0.02 0.02 -0.01 0.01 0.03 0.02 -0.00 -0.00 -0.01 0.02 0.02 -0.00 0.00 -0.00 0.03 0.16 -0.10 -0.01 -0.00 0.07 -0.02 -0.04 -0.04 -0.01 -0.04 0.04 -0.01 -0.06 0.02 0.01 -0.00 0.00 0.04 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.01 -0.10 0.00 0.01 0.01 -0.04 0.01 0.01 -0.02 -0.01 -0.01 0.01 0.00 0.01 0.02 -0.00 -0.00 0.00 -0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.39 -0.05 0.13 0.41 -0.22 0.06 -0.14 -0.04 -0.16 0.05 0.05 0.03 -0.02 -0.04 -0.20 0.14 0.08 0.13 -0.02 0.01 -0.07 0.03 0.12 0.14 -0.06 -0.01 0.01 -0.02 0.00 0.03 0.02 0.02 0.03 0.03 0.02 0.03 -0.01 0.00 -0.00 -0.01 -0.01 -0.00 -0.01 -0.01 0.00 -0.22 0.51 -0.09 0.02 0.01 0.01 -0.01 0.00 0.04 -0.00 0.02 0.00 0.05 0.15 0.05 0.00 -0.03 -0.00 -0.00 -0.02 0.01 -0.01 0.01 0.02 -0.01 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 -0.02 0.00 -0.04 -0.01 0.01 0.00 -0.01 0.05 -0.09 -0.00 0.01 0.04 0.01 -0.03 -0.01 0.00 -0.01 0.03 0.00 -0.02 0.02 0.01 0.01 0.01 0.04 -0.02 0.01 -0.00 -0.01 -0.01 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.08 0.08 0.02 0.02 -0.01 -0.00 0.00 -0.01 0.02 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.03 0.00 0.01 -0.02 -0.01 0.01 0.01 -0.00 -0.26 -0.12 0.10 0.02 0.04 -0.08 -0.08 0.02 -0.08 0.04 0.06 0.03 0.02 0.00 -0.11 0.04 0.02 0.07 0.00 -0.02 0.03 0.03 0.03 0.08 -0.11 -0.03 0.03 -0.02 0.01 0.05 0.01 0.03 0.03 0.02 0.01 0.04 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 0.74 -0.41 0.20 -0.00 -0.00 0.01 -0.00 0.01 0.02 -0.00 -0.01 0.01 0.05 0.02 0.03 -0.01 0.11 0.00 -0.02 0.12 -0.01 0.00 -0.02 -0.01 -0.01 -0.02 0.02 -0.02 0.03 0.01 -0.01 -0.02 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.00 -0.00 0.02 0.01 -0.02 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.00 -0.01 -0.02 -0.16 0.03 -0.00 0.00 0.00 0.06 0.03 -0.01 0.04 0.02 -0.02 0.01 -0.01 0.02 0.01 -0.00 0.01 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.01 0.02 0.01 -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 -0.00 -0.00 -0.00 0.00 -0.24 -0.08 -0.04 0.01 -0.01 0.06 0.00 0.02 0.08 -0.05 -0.01 0.05 0.13 0.22 0.07 -0.05 0.62 -0.00 -0.11 0.57 -0.07 0.00 0.00 -0.00 -0.07 -0.09 0.10 -0.13 0.17 0.03 -0.06 -0.09 -0.06 -0.02 0.01 -0.01 -0.01 0.00 0.00 0.05 0.09 0.06 -0.07 -0.04 -0.01 -0.03 0.00 -0.03 -0.01 -0.02 -0.01 -0.01 -0.03 0.01 -0.04 -0.03 -0.03 0.05 -0.03 -0.00 0.03 0.04 0.09 -0.01 0.00 0.01 0.00 -0.01 -0.02 -0.03 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 -0.01 -0.00 -0.00 -0.00 -0.00 0.36 0.23 -0.12 0.18 -0.23 0.15 -0.01 -0.06 -0.03 -0.04 -0.08 -0.01 -0.06 -0.06 -0.03 0.07 0.05 -0.08 -0.01 0.07 -0.18 -0.09 0.07 -0.06 0.57 0.17 -0.14 0.08 -0.05 -0.19 0.01 -0.10 -0.12 -0.04 -0.01 -0.16 -0.08 0.04 0.01 -0.12 -0.05 -0.02 -0.04 -0.06 0.04 0.22 -0.10 0.06 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 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 0.01 -0.01 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.08 0.02 0.00 -0.00 0.09 -0.04 0.03 -0.00 -0.02 0.02 -0.00 0.01 0.01 -0.03 -0.01 -0.01 -0.06 0.04 -0.00 -0.03 0.01 0.08 0.00 0.01 0.02 0.03 0.00 -0.02 0.02 -0.00 -0.00 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 0.01 -0.00 -0.03 -0.01 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 -0.31 -0.20 0.09 -0.37 0.24 -0.16 -0.06 0.10 -0.03 0.03 0.08 0.02 0.10 0.06 -0.06 -0.03 -0.02 0.06 0.03 -0.02 0.04 0.05 -0.07 0.05 0.48 0.13 -0.11 0.08 -0.02 -0.17 0.01 -0.14 -0.17 -0.02 0.01 -0.21 -0.12 0.07 0.03 -0.08 -0.03 -0.01 -0.06 -0.10 0.09 -0.14 -0.03 -0.03 -0.00 -0.04 0.14 -0.01 0.05 0.12 -0.09 0.01 0.11 0.06 0.12 0.04 0.03 -0.01 -0.03 0.02 -0.09 0.02 0.00 0.00 0.00 -0.00 0.03 0.00 -0.02 0.01 0.00 -0.01 0.04 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.00 0.00 -0.02 0.01 -0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.02 -0.01 0.00 0.01 -0.00 -0.02 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.04 0.01 0.01 -0.02 -0.07 -0.00 -0.00 0.01 0.02 0.00 -0.06 -0.02 -0.04 0.00 -0.01 0.05 0.01 0.00 -0.00 -0.00 0.01 -0.04 0.01 0.09 0.06 -0.02 0.10 -0.07 0.04 0.02 -0.03 0.00 -0.01 -0.03 -0.01 -0.03 -0.02 0.01 0.01 0.01 -0.03 -0.01 0.01 -0.02 -0.02 0.02 -0.02 -0.14 -0.04 0.03 -0.02 0.01 0.05 -0.00 0.04 0.05 0.01 -0.00 0.06 0.04 -0.02 -0.01 0.02 0.01 0.00 0.02 0.03 -0.03 -0.11 -0.23 0.00 -0.03 -0.11 0.39 -0.04 0.16 0.32 -0.24 0.03 0.30 0.22 0.41 0.14 0.10 -0.04 -0.08 0.05 -0.28 0.07 0.00 -0.00 -0.00 -0.02 0.13 0.02 -0.10 0.04 0.01 -0.04 0.16 -0.03 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 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 0.01 0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.04 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.07 -0.11 -0.00 -0.02 -0.01 0.01 -0.01 0.02 -0.01 -0.00 -0.06 -0.04 -0.02 -0.06 0.00 -0.06 -0.04 -0.02 -0.00 -0.01 -0.03 -0.00 0.02 -0.02 -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 -0.01 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.04 -0.16 0.00 -0.06 -0.14 0.12 -0.01 -0.14 -0.01 -0.03 -0.02 -0.02 -0.01 0.02 -0.02 -0.01 -0.01 -0.00 0.00 0.00 -0.15 0.49 0.17 -0.46 0.29 0.02 -0.19 0.47 -0.19 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.03 0.01 0.00 0.00 0.02 -0.01 0.01 0.01 0.02 0.01 0.01 -0.01 0.05 -0.02 -0.01 -0.02 -0.01 0.01 -0.00 0.01 0.03 0.07 0.01 -0.02 -0.08 -0.10 -0.05 -0.05 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 -0.04 0.02 -0.08 0.06 -0.04 -0.03 -0.05 -0.06 -0.02 -0.07 0.01 -0.05 -0.03 -0.05 -0.00 -0.02 -0.16 -0.01 0.09 -0.13 -0.11 0.00 -0.12 0.22 0.05 -0.06 -0.10 0.02 0.15 -0.06 0.19 0.19 0.02 -0.04 0.27 0.39 0.05 0.28 0.37 0.12 -0.05 0.28 0.35 0.17 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 0.02 -0.01 -0.00 0.00 -0.02 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.02 0.02 0.04 -0.01 -0.01 -0.01 -0.01 0.00 -0.01 -0.05 -0.08 -0.04 -0.03 0.01 -0.09 -0.00 -0.00 -0.00 0.02 -0.01 0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.05 -0.02 -0.02 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 -0.00 0.05 0.06 -0.03 0.04 -0.07 0.04 0.04 0.30 0.22 0.13 0.34 -0.01 0.29 0.19 0.13 0.00 0.05 0.39 0.05 -0.19 0.26 0.24 -0.06 0.27 0.06 0.03 -0.02 0.01 -0.01 -0.02 0.00 -0.01 -0.01 -0.00 -0.00 -0.01 0.18 0.01 0.11 0.17 0.06 -0.02 0.12 0.17 0.06 0.01 -0.01 0.00 -0.00 0.00 -0.02 -0.00 -0.01 -0.02 0.01 0.00 -0.02 0.01 0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.02 0.07 0.02 -0.06 0.04 0.01 -0.02 0.07 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 -0.01 0.01 -0.00 0.00 -0.02 -0.03 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.01 0.01 0.04 0.02 -0.03 -0.11 0.06 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 0.06 0.01 -0.02 -0.05 0.01 0.00 0.01 0.13 0.08 0.04 0.13 0.00 0.12 0.08 0.04 0.00 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.02 0.00 0.18 0.05 -0.04 -0.17 0.05 0.30 -0.15 0.34 0.33 0.01 -0.10 0.48 -0.28 0.03 -0.12 -0.25 -0.09 0.01 -0.18 -0.25 -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 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.01 0.01 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 0.00 -0.00 -0.01 0.00 0.00 0.02 0.03 0.01 -0.01 0.01 -0.03 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 0.02 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.01 0.03 0.02 0.03 -0.01 -0.11 -0.00 -0.00 0.01 -0.03 0.02 0.11 -0.03 -0.05 0.02 0.00 0.03 0.01 0.00 -0.00 -0.00 -0.02 0.02 -0.00 -0.03 -0.00 0.00 0.00 0.01 -0.01 -0.00 -0.13 -0.08 -0.05 -0.13 0.00 -0.13 -0.08 -0.03 -0.03 -0.01 0.17 0.02 -0.07 0.11 0.11 -0.06 0.10 0.08 0.02 -0.02 -0.01 0.00 0.02 -0.02 0.03 0.02 -0.01 -0.02 0.04 -0.02 0.02 0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.02 -0.16 -0.25 0.01 -0.08 0.06 -0.38 0.02 -0.13 -0.22 0.25 -0.14 -0.26 0.23 0.46 0.17 0.04 -0.01 -0.01 -0.01 -0.13 0.02 0.00 -0.00 -0.00 0.04 -0.11 -0.04 0.09 -0.06 0.03 0.06 -0.06 0.05 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.02 -0.00 -0.01 -0.02 0.01 -0.00 0.04 0.07 0.02 -0.02 0.03 -0.08 -0.01 -0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.01 0.03 0.00 -0.01 -0.02 0.00 -0.00 -0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.04 0.00 0.00 -0.00 0.01 -0.01 -0.04 0.01 0.02 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.02 0.00 -0.01 -0.00 -0.33 -0.18 -0.12 -0.32 -0.00 -0.31 -0.20 -0.07 -0.06 -0.00 0.40 0.06 -0.18 0.26 0.26 -0.13 0.25 0.12 0.04 -0.04 -0.02 -0.00 0.04 -0.04 0.06 0.05 -0.01 -0.03 0.08 -0.03 0.03 0.02 -0.01 -0.00 -0.01 -0.01 -0.02 0.03 0.07 0.09 0.00 0.03 -0.03 0.15 -0.01 0.05 0.10 -0.10 0.05 0.11 -0.09 -0.17 -0.06 -0.01 0.00 0.00 0.01 0.05 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.01 -0.01 0.01 -0.02 -0.02 -0.01 -0.02 -0.01 0.00 -0.00 -0.01 0.01 -0.00 -0.03 -0.10 0.05 0.16 0.06 -0.04 -0.13 0.08 -0.04 -0.01 0.01 -0.02 0.03 0.02 0.01 -0.01 -0.02 -0.02 0.06 -0.04 0.02 -0.06 -0.00 0.06 0.01 -0.00 -0.00 0.02 0.00 -0.03 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.52 -0.13 0.09 0.41 -0.17 0.10 0.07 -0.01 0.10 0.03 0.12 -0.00 0.04 0.04 0.16 -0.19 -0.18 -0.05 -0.10 0.13 -0.10 -0.01 -0.14 -0.11 0.18 0.05 -0.07 0.01 0.04 -0.05 -0.05 -0.05 -0.08 -0.00 -0.01 -0.05 -0.16 0.15 0.11 0.12 -0.00 -0.01 -0.06 -0.11 0.25 0.05 -0.01 0.01 -0.01 -0.01 0.03 -0.03 0.02 -0.00 -0.00 0.02 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.03 -0.01 0.02 -0.04 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.03 -0.02 0.01 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 0.00 0.00 0.02 -0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.01 -0.01 0.01 0.00 -0.00 0.14 -0.39 0.14 0.22 0.10 0.18 -0.19 -0.16 -0.17 0.05 0.20 0.34 -0.17 0.51 -0.18 -0.10 -0.12 -0.35 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.05 0.01 -0.01 -0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.00 0.01 -0.02 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.01 0.01 -0.00 -0.01 0.01 0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.00 -0.01 0.00 0.39 0.35 -0.20 0.59 -0.34 0.11 -0.24 -0.21 0.31 0.02 0.01 0.00 0.00 0.01 -0.01 0.01 -0.03 0.01 0.00 -0.00 0.00 0.04 0.02 -0.04 -0.03 0.02 -0.01 0.04 0.02 0.02 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.03 0.01 -0.01 -0.03 -0.01 0.05 0.01 -0.00 0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.03 -0.00 0.05 0.08 -0.04 -0.03 -0.02 -0.02 -0.06 -0.03 -0.04 -0.03 -0.07 0.02 0.03 0.02 0.03 0.04 0.00 0.00 -0.00 0.02 -0.01 -0.03 -0.04 0.01 -0.00 -0.02 -0.03 0.01 0.02 -0.01 -0.01 -0.02 -0.00 -0.00 0.01 0.01 -0.02 -0.02 -0.03 0.00 0.27 0.14 0.23 -0.08 -0.06 -0.26 -0.05 0.46 0.01 0.03 0.09 0.02 -0.30 0.02 0.31 -0.37 -0.05 -0.23 0.00 -0.00 0.00 0.17 0.01 -0.16 -0.10 0.07 0.03 0.21 0.05 0.12 -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 -0.01 -0.02 -0.01 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.04 -0.02 -0.02 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 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.08 0.02 -0.01 -0.03 0.01 -0.01 0.02 -0.08 -0.02 -0.06 0.09 0.03 -0.04 -0.03 0.13 0.16 0.15 0.03 0.15 -0.10 0.02 -0.07 0.05 -0.06 -0.02 -0.01 0.01 -0.17 0.03 0.32 0.44 -0.11 0.03 0.27 0.32 -0.14 -0.25 0.18 0.13 0.24 0.04 -0.01 -0.11 -0.16 0.31 -0.01 -0.00 -0.00 0.02 0.01 0.03 -0.02 -0.00 -0.03 -0.00 0.06 -0.01 0.00 0.01 0.00 -0.03 0.00 0.03 -0.04 -0.01 -0.03 0.00 0.00 0.00 0.02 0.00 -0.02 -0.01 0.01 -0.00 0.02 0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.02 0.01 0.00 -0.01 0.00 -0.00 0.02 -0.00 -0.02 -0.04 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.02 0.00 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 -0.01 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 -0.08 -0.03 0.02 0.02 0.01 -0.01 -0.05 -0.12 -0.16 -0.28 0.22 0.12 0.00 -0.00 0.34 0.29 0.28 0.15 0.46 -0.20 -0.10 -0.18 -0.10 -0.25 0.01 -0.01 -0.00 0.06 0.03 -0.14 -0.19 0.03 -0.04 -0.08 -0.11 0.06 0.08 -0.05 -0.03 -0.08 -0.00 -0.00 0.03 0.05 -0.10 -0.00 -0.01 0.00 0.06 0.03 0.03 0.00 -0.02 -0.05 -0.02 0.07 0.01 0.01 0.01 0.00 -0.03 0.00 0.04 -0.04 -0.01 -0.03 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 -0.00 0.00 0.00 0.01 -0.00 0.00 -0.01 0.02 -0.02 0.00 -0.04 -0.01 0.01 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.01 0.01 0.00 0.01 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.04 -0.03 0.01 -0.02 0.03 -0.02 0.24 -0.29 0.23 0.22 0.22 -0.05 -0.22 -0.15 0.22 0.19 0.14 -0.21 -0.15 -0.09 0.29 -0.06 0.44 0.12 0.02 0.01 -0.01 0.04 0.03 -0.12 -0.16 0.02 -0.03 -0.07 -0.09 0.06 -0.04 0.06 0.07 0.04 0.05 -0.02 -0.03 -0.04 0.04 -0.00 0.01 -0.00 -0.08 -0.05 -0.03 -0.01 0.03 0.06 0.02 -0.08 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.01 0.02 0.01 0.00 0.00 -0.00 0.08 0.09 -0.07 -0.05 0.02 -0.11 0.05 -0.07 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 0.01 -0.02 0.01 0.01 -0.04 0.01 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 0.02 0.02 -0.01 0.00 -0.00 0.00 -0.02 0.04 -0.00 0.01 -0.05 -0.01 0.02 0.01 -0.06 -0.02 -0.01 0.01 0.00 0.01 -0.01 0.01 -0.03 -0.00 -0.01 0.01 -0.00 -0.20 0.50 -0.14 -0.22 -0.16 -0.25 0.27 0.25 0.22 0.05 0.15 0.27 -0.13 0.38 -0.13 -0.09 -0.11 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.05 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.05 0.03 -0.06 -0.05 -0.02 0.08 -0.01 0.12 0.04 -0.03 -0.01 0.00 0.04 -0.01 -0.06 -0.08 0.02 -0.00 -0.05 -0.06 0.03 -0.07 0.06 0.05 0.08 0.03 -0.01 -0.03 -0.05 0.09 0.00 0.01 0.00 0.05 0.03 0.03 -0.00 -0.01 -0.04 -0.01 0.07 0.00 -0.01 -0.04 -0.01 0.02 0.03 -0.05 0.09 -0.03 0.03 0.00 -0.00 0.00 -0.17 -0.45 0.13 0.10 0.01 0.65 0.07 0.44 -0.03 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.03 -0.01 0.01 0.01 -0.00 0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.04 0.01 -0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.01 0.02 0.01 0.02 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.00 -0.00 0.02 0.01 0.01 0.08 0.03 -0.02 -0.02 0.00 -0.00 -0.08 0.12 -0.06 -0.04 -0.12 0.00 0.08 0.05 -0.13 0.04 0.03 -0.02 0.01 -0.02 0.03 -0.01 0.05 0.00 -0.14 -0.05 0.02 0.11 -0.03 -0.18 -0.24 0.06 -0.01 -0.16 -0.18 0.07 -0.24 0.19 0.17 0.27 0.09 -0.02 -0.11 -0.16 0.30 -0.01 -0.01 0.00 0.15 0.09 0.08 -0.01 -0.06 -0.15 -0.02 0.21 -0.00 0.02 0.04 0.01 0.06 -0.03 -0.04 0.05 -0.00 0.03 0.00 -0.00 0.00 -0.17 0.10 0.16 0.13 -0.10 -0.21 -0.27 -0.20 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.02 -0.01 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 0.01 0.00 0.03 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.01 0.01 -0.00 -0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.02 -0.01 0.01 0.01 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.03 -0.02 0.00 0.06 0.03 -0.01 -0.01 -0.00 0.00 -0.06 0.11 -0.04 -0.02 -0.11 -0.00 0.06 0.04 -0.13 0.01 0.02 0.08 0.12 -0.02 -0.09 -0.02 -0.12 -0.07 -0.12 -0.04 0.02 0.08 -0.02 -0.13 -0.17 0.04 -0.01 -0.11 -0.13 0.05 -0.17 0.13 0.12 0.19 0.06 -0.01 -0.08 -0.11 0.21 0.01 0.01 -0.00 -0.21 -0.12 -0.12 0.02 0.08 0.22 0.03 -0.31 0.00 -0.02 -0.03 -0.01 -0.11 0.03 0.09 -0.12 0.01 -0.07 -0.00 0.00 -0.00 0.28 0.04 -0.26 -0.20 0.13 0.04 0.33 0.11 0.19 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 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 0.01 0.02 -0.00 -0.00 0.00 -0.01 -0.02 0.01 -0.01 -0.01 -0.02 -0.07 -0.02 0.01 0.00 -0.00 -0.00 -0.02 -0.01 0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.07 -0.01 0.12 0.16 -0.05 -0.06 -0.05 -0.03 -0.10 0.02 0.03 0.08 0.13 -0.02 -0.08 -0.03 -0.11 -0.08 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 0.01 0.00 0.16 0.08 0.09 -0.06 -0.05 -0.22 0.01 0.28 -0.05 0.02 0.01 -0.00 0.34 0.04 -0.35 0.40 0.10 0.26 0.00 -0.00 0.00 0.22 0.05 -0.21 -0.16 0.10 -0.01 0.25 0.03 0.15 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.03 0.04 -0.03 -0.04 -0.01 0.02 0.02 -0.02 0.00 0.02 -0.02 -0.02 0.02 0.01 0.01 0.01 0.00 0.00 -0.00 0.01 0.00 0.01 -0.00 -0.01 0.00 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 -0.01 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.08 0.03 -0.01 -0.04 0.00 -0.01 -0.07 -0.20 -0.22 -0.36 0.33 0.16 -0.01 -0.02 0.45 -0.29 -0.27 -0.03 -0.28 0.20 -0.08 0.17 -0.12 0.16 -0.07 -0.02 0.01 0.01 0.02 -0.04 -0.05 0.01 -0.01 -0.02 -0.02 0.03 -0.05 0.04 0.04 0.06 0.03 -0.01 -0.03 -0.04 0.05 -0.00 0.00 -0.00 0.03 0.01 0.02 -0.02 -0.01 -0.05 0.00 0.06 -0.01 0.01 0.00 -0.00 0.06 0.01 -0.07 0.07 0.02 0.05 0.00 0.00 0.00 0.08 0.02 -0.07 -0.05 0.03 -0.00 0.08 0.01 0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.06 0.03 0.03 0.01 -0.01 -0.02 0.02 -0.01 0.03 -0.00 0.02 0.00 -0.02 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 -0.01 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.03 -0.00 -0.00 0.03 -0.01 0.01 -0.27 0.23 -0.32 -0.38 -0.15 0.11 0.24 0.17 -0.05 0.14 0.11 -0.21 -0.17 -0.08 0.31 -0.04 0.41 0.12 0.07 0.03 -0.02 -0.02 0.00 0.03 0.04 -0.01 0.00 0.02 0.02 -0.01 0.04 -0.03 -0.03 -0.05 -0.02 0.00 0.02 0.03 -0.05 0.00 0.00 0.00 0.02 0.01 0.01 -0.01 -0.01 -0.03 0.00 0.03 -0.01 0.00 0.00 -0.00 0.07 0.02 -0.07 0.08 0.03 0.05 -0.00 -0.00 0.00 0.12 0.05 -0.11 -0.09 0.05 -0.04 0.12 0.00 0.08 0.00 0.00 0.00 0.01 0.01 0.03 -0.00 0.01 0.00 -0.09 -0.03 0.02 -0.00 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.41 0.07 -0.22 -0.01 -0.02 -0.06 -0.40 -0.05 0.27 0.03 -0.00 -0.04 0.04 0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.02 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.23 0.08 -0.05 0.02 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.01 0.00 -0.01 -0.00 -0.01 -0.01 -0.37 -0.17 -0.10 -0.10 0.05 0.23 0.13 -0.12 -0.13 0.07 0.07 -0.19 0.20 -0.03 0.02 -0.19 -0.07 0.00 0.14 0.14 -0.04 0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.01 -0.01 -0.02 0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.01 0.02 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 -0.00 0.01 -0.01 -0.01 -0.03 0.02 0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 0.04 0.02 -0.12 -0.36 -0.34 0.01 0.00 -0.00 0.00 0.03 0.05 0.16 0.38 0.28 -0.03 -0.06 -0.03 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.01 0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.00 -0.00 0.01 -0.01 0.00 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.12 -0.17 0.00 0.08 0.04 0.19 0.03 -0.08 -0.22 -0.10 0.13 0.17 -0.25 -0.36 0.09 -0.05 -0.16 0.01 0.09 0.20 0.04 -0.00 0.00 0.00 0.00 0.03 -0.00 -0.04 0.02 0.00 0.01 0.02 -0.00 -0.02 -0.02 -0.04 -0.07 -0.19 -0.44 -0.01 0.02 0.01 -0.01 0.01 0.01 -0.04 -0.03 -0.07 0.00 0.00 0.01 0.00 -0.01 -0.00 0.06 0.00 -0.04 0.17 0.28 0.71 -0.05 -0.00 0.04 0.00 0.00 -0.01 0.00 0.00 -0.00 0.02 0.01 0.03 -0.01 -0.02 -0.03 -0.01 0.00 -0.01 -0.00 0.00 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 0.10 0.01 0.01 -0.19 0.08 -0.15 -0.00 0.00 -0.00 0.04 -0.11 -0.03 -0.04 -0.03 -0.09 0.01 0.01 0.05 0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.06 -0.03 -0.02 -0.01 -0.00 0.03 0.02 -0.02 -0.02 0.00 0.01 -0.03 0.03 -0.00 0.01 -0.02 -0.01 -0.00 0.02 0.02 -0.00 -0.13 0.05 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.02 0.01 0.02 -0.01 -0.05 -0.02 0.00 -0.01 -0.01 0.01 0.01 0.02 -0.00 0.01 -0.00 0.01 -0.01 -0.00 0.01 0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 -0.08 -0.02 -0.00 -0.00 -0.00 -0.19 0.49 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.13 -0.35 -0.08 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.03 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.26 -0.68 -0.15 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -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 -0.05 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.08 0.04 0.02 -0.04 -0.16 0.12 -0.15 0.14 0.01 0.14 0.49 -0.35 -0.05 0.10 0.34 0.47 -0.41 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.03 0.01 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 0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.03 0.01 -0.02 0.00 -0.00 0.01 -0.02 0.02 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.02 -0.25 -0.12 -0.08 0.13 0.49 -0.37 0.48 -0.44 -0.05 0.04 0.16 -0.11 -0.01 0.04 0.12 0.15 -0.13 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.06 -0.00 -0.04 -0.00 0.00 0.00 0.01 0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.02 0.03 0.01 -0.02 -0.03 0.01 0.03 0.00 0.02 0.01 -0.00 -0.03 0.64 0.05 0.70 0.12 -0.02 -0.25 0.00 -0.00 -0.00 -0.06 -0.00 -0.06 -0.05 -0.06 0.01 0.02 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 -0.02 -0.04 0.01 -0.00 0.01 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.53 0.13 -0.36 0.08 -0.06 0.28 -0.35 0.44 -0.00 0.18 -0.20 0.00 0.06 0.13 0.05 -0.21 -0.06 0.15 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.02 0.01 -0.02 0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 0.00 -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 0.02 0.00 0.03 -0.02 -0.02 0.00 0.01 -0.00 -0.03 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.00 -0.01 0.01 -0.02 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 -0.03 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.11 -0.03 0.07 -0.02 0.01 -0.06 0.07 -0.08 0.00 0.23 -0.25 0.00 0.09 0.17 0.08 -0.25 -0.08 0.18 -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 0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.02 0.00 -0.00 -0.01 0.00 0.02 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 -0.31 -0.01 -0.36 0.29 0.40 -0.05 -0.24 0.03 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.00 0.01 -0.02 0.03 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.21 0.05 -0.15 0.03 -0.02 0.11 -0.14 0.18 -0.00 -0.34 0.37 -0.01 -0.13 -0.25 -0.11 0.37 0.12 -0.27 0.00 0.01 0.02 0.01 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.01 0.00 -0.00 -0.01 0.01 0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.01 0.02 0.00 -0.01 -0.01 0.00 0.02 0.00 0.01 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.20 -0.01 -0.23 0.19 0.25 -0.03 -0.16 0.02 0.27 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 -0.05 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.40 0.55 0.10 -0.18 -0.30 0.09 0.50 0.04 0.36 -0.01 -0.00 0.02 -0.05 -0.00 -0.05 0.02 -0.00 -0.03 -0.00 0.00 0.00 0.02 0.00 0.03 -0.01 -0.02 0.00 0.01 -0.00 -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.03 -0.08 0.03 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.04 -0.14 0.11 0.13 -0.11 -0.02 0.18 0.54 -0.39 0.01 -0.02 0.01 -0.52 0.43 0.05 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.08 0.03 0.01 -0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.02 0.00 0.17 0.53 -0.42 -0.50 0.44 0.07 0.05 0.14 -0.10 0.00 -0.00 0.00 -0.14 0.11 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -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 -0.01 -0.00 -0.00 -0.00 0.01 0.02 -0.00 -0.07 -0.00 0.00 0.00 -0.01 -0.01 0.04 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.05 -0.01 0.03 0.00 -0.00 0.00 -0.04 0.06 -0.00 0.01 -0.01 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 -0.05 0.07 0.01 0.03 0.05 -0.02 0.02 -0.00 0.02 0.04 0.01 -0.10 0.15 0.01 0.14 -0.42 0.05 0.73 -0.00 0.00 0.00 -0.17 -0.01 -0.17 0.08 0.10 -0.00 0.19 -0.03 -0.32 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.08 -0.03 -0.03 -0.02 0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.51 -0.15 0.35 0.03 -0.02 0.03 -0.43 0.58 -0.02 0.11 -0.12 0.00 -0.01 -0.00 -0.00 0.14 0.05 -0.10 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 -0.00 0.01 -0.02 -0.00 -0.02 0.04 -0.00 -0.07 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.02 -0.02 0.00 -0.02 0.00 0.03 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.08 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 0.02 -0.02 0.00 -0.00 0.00 0.00 0.02 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.38 -0.55 -0.11 -0.03 -0.02 0.00 0.58 0.07 0.44 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 0.00 0.03 0.00 -0.00 0.00 -0.01 -0.00 -0.02 0.00 0.00 0.00 0.01 -0.00 -0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.01 -0.08 0.03 0.03 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.13 0.04 -0.09 -0.00 0.00 -0.00 0.11 -0.15 0.00 0.44 -0.50 0.02 -0.02 -0.00 0.00 0.54 0.19 -0.40 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.02 -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 0.01 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 0.02 -0.01 -0.08 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.18 0.08 0.98 0.01 -0.01 -0.00 -0.00 -0.00 0.00 0.01 0.00 0.01 0.02 0.01 -0.05 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.08 -0.05 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 -0.01 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 0.01 0.01 -0.01 -0.00 -0.01 -0.02 0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.03 0.04 0.00 0.04 0.08 -0.01 -0.14 0.00 -0.00 -0.00 0.30 -0.00 0.36 0.45 0.64 -0.08 0.16 -0.04 -0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.00 -0.04 -0.00 0.00 0.00 -0.01 -0.00 -0.08 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 -0.01 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 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.02 0.00 0.04 0.06 -0.02 0.04 0.00 0.03 0.05 0.01 -0.11 0.12 0.01 0.13 -0.20 0.03 0.34 -0.00 0.00 -0.00 0.42 0.01 0.46 -0.01 -0.02 -0.02 -0.32 0.04 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 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.03 -0.02 -0.08 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 0.02 0.01 0.01 0.00 -0.01 -0.01 -0.03 -0.08 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.06 -0.22 0.13 -0.09 0.27 0.87 -0.20 0.17 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 0.00 -0.00 -0.01 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 -0.03 -0.08 -0.02 0.00 0.01 0.02 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 -0.02 -0.03 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 -0.19 0.19 -0.01 0.38 0.73 0.35 0.21 0.05 -0.16 -0.02 -0.08 -0.21 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.00 0.01 -0.01 0.00 -0.01 -0.05 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 0.00 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 -0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.02 -0.04 -0.15 0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.01 0.00 0.00 -0.00 0.00 0.01 0.04 0.80 0.39 0.30 0.03 0.15 -0.13 0.13 -0.14 -0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.04 -0.07 0.01 0.01 0.00 -0.02 -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 0.01 -0.14 0.17 0.03 0.46 0.73 -0.24 0.20 0.00 0.15 -0.11 -0.02 0.25 0.00 0.00 0.00 0.04 -0.01 -0.07 0.00 -0.00 -0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -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 0.01 0.02 -0.00 0.03 0.00 -0.07 0.00 -0.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.02 0.01 -0.07 -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 -0.01 0.00 0.05 0.04 -0.05 -0.01 -0.12 -0.19 0.06 -0.05 -0.00 -0.04 -0.38 -0.07 0.86 0.05 0.01 0.05 -0.08 0.01 0.14 -0.00 0.00 -0.00 0.02 -0.00 0.02 -0.01 -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 -0.02 0.03 -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.02 -0.05 -0.00 -0.00 -0.00 -0.17 -0.04 0.10 0.28 -0.16 0.89 0.14 -0.18 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.03 -0.03 -0.01 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.03 -0.01 0.07 0.00 0.00 0.00 -0.01 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.01 -0.00 -0.03 -0.08 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.04 -0.15 -0.01 -0.03 -0.03 -0.01 -0.00 0.00 0.01 -0.00 0.02 0.00 -0.00 -0.00 -0.03 0.03 -0.00 0.09 0.18 0.08 0.04 0.01 -0.03 0.06 0.34 0.89 -0.06 -0.03 -0.02 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.02 0.07 -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 -0.02 -0.07 0.00 0.03 0.03 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -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 0.09 0.21 0.81 -0.05 -0.33 -0.37 -0.01 -0.00 0.01 0.02 -0.01 0.05 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.04 0.11 0.11 0.05 0.04 0.00 0.02 -0.01 0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.04 -0.01 -0.05 -0.06 -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 0.05 0.12 0.46 0.08 0.57 0.64 -0.01 -0.00 0.00 0.01 -0.00 0.03 0.01 -0.01 0.00 -0.01 0.01 0.00 0.02 0.04 0.02 0.01 0.00 -0.00 0.01 0.04 0.10 0.06 0.03 0.02 0.00 0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.04 -0.11 -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 -0.01 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 -0.34 0.91 0.19 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 8 8 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.99491 15.99491 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 274.19328 0.99986 0.01667 -0.00307 -0.01665 0.99985 0.00516 0.00316 -0.00511 0.99998 asymmetric 1 0.02412 0.00787 0.00686 0.50267 0.16406 0.14297 1036911.2 19.37 27.32 32.46 49.76 66.81 85.04 113.88 121.79 141.61 178.75 187.21 202.38 210.02 221.00 253.46 268.23 288.69 315.69 350.31 365.63 378.60 401.78 434.38 456.04 465.91 512.42 522.92 552.43 578.04 601.10 633.99 671.62 703.40 735.44 760.75 783.76 865.02 912.58 951.96 973.37 1024.09 1069.32 1108.74 1139.95 1198.05 1208.04 1211.08 1262.03 1283.26 1305.31 1335.06 1358.85 1389.94 1398.50 1412.87 1436.98 1448.01 1457.53 1481.62 1504.55 1517.87 1531.36 1538.73 1571.02 1576.23 1582.66 1591.90 1632.19 1642.20 1676.31 1695.45 1745.94 1765.65 1812.67 1853.53 1887.63 1891.53 1917.45 1924.22 1946.08 2016.35 2016.86 2030.52 2032.63 2037.68 2048.65 2057.38 2058.07 2099.81 2117.16 2134.70 2138.45 2139.40 2142.81 2146.73 2147.68 2154.65 2157.33 2158.36 2172.57 2176.58 2179.43 2479.61 2485.15 2533.77 3197.10 4316.55 4329.01 4334.98 4338.30 4346.45 4346.98 4354.47 4376.46 4383.72 4411.11 4413.21 4420.87 4424.68 4429.28 4444.39 4449.16 4450.06 4467.68 4487.40 4493.55 4499.94 4500.81 4506.55 4549.27 4560.27 4999.58 0.394939 0.419154 0.420099 0.338169 -851.802456 -851.778240 -851.777296 -851.859226 263.023 87.935 172.436 0.000 0.000 0.000 0.889 2.981 42.725 0.889 2.981 34.566 261.246 81.974 95.146 1 0.593 1.987 7.421 2 0.593 1.986 6.737 3 0.593 1.985 6.395 4 0.594 1.983 5.547 5 0.595 1.979 4.964 6 0.596 1.974 4.487 7 0.600 1.963 3.912 8 0.601 1.960 3.780 9 0.604 1.950 3.485 10 0.610 1.929 3.033 11 0.612 1.923 2.944 12 0.615 1.913 2.795 13 0.617 1.907 2.724 14 0.619 1.899 2.627 15 0.628 1.872 2.369 16 0.632 1.858 2.263 17 0.638 1.839 2.127 18 0.647 1.812 1.964 19 0.659 1.774 1.777 20 0.665 1.756 1.702 21 0.670 1.740 1.641 22 0.680 1.712 1.538 23 0.694 1.670 1.406 24 0.704 1.641 1.326 25 0.708 1.628 1.291 26 0.732 1.563 1.139 27 0.737 1.548 1.107 28 0.753 1.504 1.024 29 0.767 1.466 0.956 30 0.781 1.432 0.900 31 0.801 1.382 0.825 32 0.824 1.324 0.747 33 0.845 1.275 0.687 34 0.866 1.225 0.631 35 0.884 1.186 0.590 36 0.900 1.151 0.555 37 0.959 1.029 0.448 0.129526e+27 26.112359 60.125928 0.908049e+11 10.958109 25.231979 0.100000e+01 0.000000 0.000000 0.178459e+09 8.251539 18.999871 0.799301e+07 6.902710 15.894078 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 0.1841 -0.6881 1.3284 1.5073 -113.6568 -119.9369 -124.5629 0.3901 -1.2449 0.6798 5.7287 -0.5514 -5.1773 0.3901 -1.2449 0.6798 13.9427 33.7972 -0.5246 -29.3533 3.3844 -6.1501 3.8141 -2.3905 3.9822 -4.6723 -7997.6532 -2006.9280 -980.9151 48.9444 -85.5626 -174.1498 39.7957 10.9448 4.8057 -1610.3818 -1495.5493 -545.3355 35.9619 -27.2421 25.5685 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -852.1973943 2.71E-9 2.93E-6 0.3949386 0.4191544 -851.7782399 -851.7772958 -851.8592257 4.19549,-0.4412573,-3.7542327,-0.6531582,0.9480717,0.6984735 C01 [X(C18H26O2)] 0.0917181 0.3039389 -0.5008793 -1.9795114 -0.4559355 -0.0677428 -0.760343 -0.7566922 -0.2063038 -0.1591508 -0.1844986 -0.4221592 -0.8782686 -0.1346405 0.1272063 -0.2017475 -0.4480431 -0.1471719 0.0593083 -0.1555681 -0.8932254 0.4959902 0.0893593 -0.0773788 0.2807943 0.1790076 -0.0359867 0.2756386 0.026726 0.167228 -0.0749271 0.0868338 -0.0738815 0.4028552 0.164058 -0.0566194 -0.1256306 0.025137 -0.0806607 -0.8088842 -0.266032 0.1805612 -0.6164301 -0.2002891 0.1377672 0.3312282 0.0274199 -0.0246228 0.0289236 -0.0007521 0.064465 -0.0383034 0.0621535 -0.0000128 0.0140475 0.0327159 -0.0805841 0.019238 0.0325156 0.0440479 -0.0314016 0.0410361 0.0012234 0.0125394 -0.0563328 0.0433282 0.1353267 -0.1430565 0.092323 -0.2391029 -0.173593 0.0192727 -0.2079702 0.0937736 -0.059023 2.2451748 0.6806262 -0.1680281 0.9941604 0.5873403 0.2926791 -0.0229688 0.2967495 1.0364046 0.1561089 -0.1471148 0.0258888 -0.1193047 -0.112533 0.1144645 0.1692416 0.0757991 0.2465885 0.0180392 0.0673291 0.0053397 0.0669271 0.1234173 -0.061222 0.0284005 -0.068066 -0.0381561 0.0325253 0.0718165 0.0379788 0.0597688 0.1344102 -0.0605516 -0.060553 -0.023879 0.0229082 1.1965368 0.1890545 -0.0851238 0.1200776 0.8333414 0.0937374 -0.3460497 -0.170993 0.1695455 -0.1980743 -0.1684177 0.095417 -0.0901946 -0.23354 -0.0447435 0.1206771 0.1124431 0.2206619 -0.1677374 0.181148 0.0570118 0.0854329 -0.0047814 0.0224171 0.0640646 0.0454646 -0.0818735 0.0870355 0.0703146 -0.0429573 0.0840592 0.0138319 -0.033678 -0.0326572 -0.0300527 -0.0736328 -0.142097 -0.1965029 0.0465626 -0.1916744 0.1550833 0.115074 0.000331 0.0668868 -0.0160509 0.1877536 0.0101679 -0.0603528 0.0824246 0.0071668 -0.0227933 -0.0023579 -0.0544573 0.115174 -0.2740762 -0.1348731 -0.0336507 -0.1272407 -0.5035073 -0.0297896 -0.051193 -0.0681625 -0.2302821 0.0375663 0.0535495 0.0550854 -0.0196744 0.0683339 -0.0163605 -0.0336966 0.0412741 0.1031822 0.0196597 0.0336843 0.0100927 0.0148552 0.047856 -0.0083832 -0.014192 -0.0193875 -0.0400856 0.0032605 -0.0209269 0.0430787 -0.0075394 0.024192 -0.0650153 -0.0003567 -0.0575434 0.0009235 -0.0977698 0.1126202 -0.0916456 0.0876722 -0.0116471 0.0104763 -0.121811 0.0269974 0.0053816 0.0738424 0.0370597 0.0356733 0.0180867 0.078907 0.0328284 0.0634752 -0.0047447 -0.0488603 -0.0441107 -0.1297275 -0.0080275 -0.0808144 -0.109499 -0.0035167 0.0064136 -0.0090554 0.0865393 -0.0442235 -0.1291078 0.044291 -0.1211309 -0.0476991 0.0336451 0.0086949 0.0024884 0.0179592 0.0441289 0.0360369 0.0592225 0.0773553 -0.0706515 -0.0901327 0.0627976 -0.0432254 0.0219289 -0.064894 0.0741581 -0.1249746 0.0557533 0.0262726 0.0649538 -0.0669625 0.0711615 -0.0264943 0.0157526 0.0275454 -0.0195437 0.0319563 0.0985143 -0.0624168 0.0125777 -0.0618451 -0.1038626 -0.0496765 0.0739322 0.0883492 0.0693098 0.0235764 -0.0471783 0.0599075 -0.0342194 0.0191326 0.0613433 0.0299783 -0.0296629 0.0577606 -0.0793812 0.1182597 -0.093799 0.0605122 -0.0424966 -0.0965132 -0.0949534 -0.0601762 -0.1327295 0.0097455 -0.0572154 -0.0456312 0.0176797 0.01235 -0.0253584 0.0382361 -0.0060577 0.1387276 -0.0983004 0.0878369 -0.0108945 0.1069081 0.0089667 0.042733 -0.003561 -0.0561816 0.0205553 0.0519545 -0.0318813 0.0373859 -0.069982 -0.1344934 -0.1727981 -0.0273162 -0.0230395 -0.1169145 -0.0186033 -0.0165246 0.0008713 -0.0431036 0.0734681 0.0196118 -0.0213849 -0.0329431 0.0050735 0.007334 -0.031924 0.0651972 0.051814 0.0019743 0.0130355 -0.1040425 -0.0609285 -0.1042395 -0.0138048 -0.0462079 0.0008575 -0.0449324 0.0099184 0.0184438 0.0696579 -0.0355753 0.09856 -0.0800451 0.0702229 -0.0270163 0.0293023 0.0551222 -0.0172702 0.0036849 0.0977281 0.0086518 0.0810205 -0.0006556 0.0738535 -0.0398804 -0.0210415 0.0823638 0.0430253 -0.0882839 0.051119 0.0236809 0.0073908 -0.0725069 0.0179312 -0.0502329 -0.0746758 0.0479551 0.1086657 0.0080127 -0.0284945 -0.0239409 0.1305664 -0.0068158 -0.0420566 -0.0142109 -0.0008258 -0.0627374 -0.0103754 0.0005007 -0.0141235 -0.1277181 0.0281216 -0.0796155 0.2258753 0.0059649 0.0046398 0.010524 0.242753 0.0000438 0.0046948 -0.0010387 0.2134524 -0.0304568 -0.0498534 0.0774317 -0.0114194 0.0445901 -0.0229325 0.1263483 0.0015922 -0.059194 -0.0138748 0.1038484 -0.0068172 0.1000262 -0.1934194 -0.0299717 -0.0038183 0.001158 0.0768683 0.0091391 -0.0410784 -0.0853495 -0.009919 0.054447 0.0449604 -0.1021838 -0.0122725 -0.0803027 262.8132161|-4.7833855|227.2628715|10.3286984|11.3192466|191.6001934 0.000002539 0.000004423 0.000008230 0.000000788 0.000004265 0.000010055 0.000001065 0.000001781 -0.000009063 0.000004713 -0.000003731 0.000003610 -0.000001291 0.000003085 0.000006390 -0.000000406 0.000002740 0.000005478 0.000000464 -0.000000577 -0.000000828 0.000000499 -0.000000401 0.000000087 -0.000001009 -0.000009583 -0.000018641 -0.000003969 0.000001639 -0.000000381 -0.000000264 0.000001192 0.000002394 0.000002133 -0.000002136 -0.000000646 0.000001133 -0.000006852 -0.000001667 -0.000001048 0.000007070 -0.000001817 0.000000054 0.000002890 0.000000330 -0.000001201 -0.000001092 -0.000002937 0.000003668 -0.000001981 0.000004066 -0.000005056 -0.000000294 -0.000001940 -0.000000186 -0.000000203 0.000000156 0.000002881 0.000003828 -0.000000971 -0.000001270 0.000001000 -0.000000142 -0.000001087 -0.000001256 0.000000107 0.000000903 -0.000000458 -0.000000422 0.000000127 -0.000000085 -0.000002025 -0.000000099 -0.000001333 -0.000000862 -0.000000157 -0.000000731 0.000000105 -0.000000036 -0.000000245 0.000001109 0.000000731 -0.000000822 0.000001220 -0.000000398 -0.000000359 0.000000891 -0.000000673 -0.000000668 -0.000000651 -0.000000125 -0.000000036 -0.000000737 -0.000000662 -0.000000718 -0.000000645 -0.000000597 0.000000472 0.000000268 -0.000000191 -0.000000056 0.000001348 -0.000000756 -0.000000635 0.000000729 -0.000001132 0.000000559 -0.000001091 0.000001115 0.000000391 0.000000206 0.000000655 -0.000001143 0.000000273 -0.000000141 0.000000314 0.000000722 -0.000002334 -0.000000559 -0.000001145 0.000002172 0.000002222 -0.000000539 0.000000138 -0.000000104 0.000001125 -0.000000629 -0.000000165 0.000000337 -0.000000611 -0.000000606 -0.000000004 0.000000105 -0.000000640 -0.000000751 -0.000000553 -0.000000399 -0.000001331 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0366,-1.1555,-.3899;-.2305,-.0222,1.3993;1.6422,1.195,-.8308;2.4043,.2214,.0402;1.086,-.2158,-.5993;.9842,2.3864,-.1591;2.1289,1.4976,-2.2365;3.6705,-.4233,-.369;-.0932,-.4322,.2683;4.7405,-.6628,.4028;4.8483,-.3034,1.8625;5.9651,-1.3398,-.1608;-2.3256,-1.3122,.2937;-3.2106,-.1278,-.0581;-2.8722,-2.6015,-.1173;-3.6489,-.0522,-1.496;-3.4726,.7687,.8991;-4.2405,2.0528,.7742;-3.359,-3.6521,-.4372;-3.3136,3.2764,.8941;2.2916,.4219,1.0991;1.1392,-.8824,-1.4514;.1196,2.7264,-.739;.6445,2.1553,.8498;1.6974,3.215,-.1045;2.9093,2.2648,-2.2089;2.5392,.6218,-2.7409;1.3035,1.878,-2.8462;3.7256,-.7377,-1.4082;3.9582,.1828,2.26;5.0382,-1.2012,2.4623;5.7001,.3672,2.0265;6.1809,-2.268,.3817;5.8506,-1.5832,-1.2192;6.8495,-.7007,-.0506;-2.1356,-1.3244,1.3684;-4.3279,-.8757,-1.7381;-4.1504,.8863,-1.7292;-2.7821,-.1507,-2.1566;-3.0385,.5933,1.8815;-4.99,2.0942,1.5739;-4.7922,2.0983,-.1675;-3.781,-4.5862,-.718;-2.5817,3.2874,.0818;-3.8849,4.208,.855;-2.7587,3.2576,1.8364; Gaussian 16 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C18H26O2)] RB3LYP 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0366,-1.1555,-.3899;-.2305,-.0222,1.3993;1.6422,1.195,-.8308;2.4043,.2214,.0402;1.086,-.2158,-.5993;.9842,2.3864,-.1591;2.1289,1.4976,-2.2365;3.6705,-.4233,-.369;-.0932,-.4322,.2683;4.7405,-.6628,.4028;4.8483,-.3034,1.8625;5.9651,-1.3398,-.1608;-2.3256,-1.3122,.2937;-3.2106,-.1278,-.0581;-2.8722,-2.6015,-.1173;-3.6489,-.0522,-1.496;-3.4726,.7687,.8991;-4.2405,2.0528,.7742;-3.359,-3.6521,-.4372;-3.3136,3.2764,.8941;2.2916,.4219,1.0991;1.1392,-.8824,-1.4514;.1196,2.7264,-.739;.6445,2.1553,.8498;1.6974,3.215,-.1045;2.9093,2.2648,-2.2089;2.5392,.6218,-2.7409;1.3035,1.878,-2.8462;3.7256,-.7377,-1.4082;3.9582,.1828,2.26;5.0382,-1.2012,2.4623;5.7001,.3672,2.0265;6.1809,-2.268,.3817;5.8506,-1.5832,-1.2192;6.8495,-.7007,-.0506;-2.1356,-1.3244,1.3684;-4.3279,-.8757,-1.7381;-4.1504,.8863,-1.7292;-2.7821,-.1507,-2.1566;-3.0385,.5933,1.8815;-4.99,2.0942,1.5739;-4.7922,2.0983,-.1675;-3.781,-4.5862,-.7179;-2.5817,3.2874,.0818;-3.8849,4.208,.855;-2.7587,3.2576,1.8364; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read ou 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,6=200,9=1/99 Wavefunction Empenthrin_EZ CONF50 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 616 A 596 A 596 928 616 75 75 1540.1498999282 46 46 46 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 -0.0442397066 0.000000 2.266165 0.000000 3.591026 3.156241 0.000000 3.731045 2.974635 1.512380 0.000000 2.330784 2.400996 1.533982 1.529008 0.000000 4.084369 3.115293 1.517780 2.596825 2.641037 0.000000 4.524316 4.592974 1.518033 2.624504 2.589150 2.532992 0.000000 4.763788 4.301779 2.635531 1.478621 2.603039 3.892868 3.090984 0.000000 1.358859 1.210854 2.620547 2.591608 1.479828 3.047574 3.864656 3.817243 0.000000 5.852042 5.110202 3.817405 2.524128 3.815690 4.870627 4.295814 1.340858 4.841039 0.000000 6.358627 5.107645 4.447271 3.093468 4.497016 5.123768 5.238415 2.526077 5.193894 1.507157 0.000000 7.007931 6.523455 5.055817 3.893215 5.026099 6.220407 5.203461 2.479626 6.140903 1.508492 2.532762 0.000000 1.467383 2.697383 4.826356 4.978719 3.693015 4.983863 5.842845 6.097723 2.399723 7.096701 7.412412 8.303208 0.000000 2.427431 3.319062 5.088879 5.626585 4.331428 4.891594 5.991446 6.894452 3.149214 7.982398 8.286484 9.255989 1.519769 0.000000 2.352525 3.991438 5.941552 5.986190 4.646636 6.304943 6.804702 6.900328 3.546469 7.872860 8.295013 8.927035 1.459478 2.497437 0.000000 3.043805 4.479857 5.476635 6.251041 4.821814 5.403646 6.027640 7.414936 3.987511 8.623232 9.140312 9.791316 2.557685 1.505145 3.000526 0.000000 3.361271 3.374434 5.416201 5.964445 4.898440 4.857895 6.460604 7.352026 3.641505 8.351656 8.444813 9.728265 2.452013 1.337420 3.571035 2.538042 0.000000 4.681159 4.558124 6.157797 6.931529 5.950146 5.317891 7.066954 8.367910 4.861236 9.389946 9.452143 10.795303 3.901383 2.551169 4.932506 3.151960 1.501356 0.000000 3.410017 5.131887 6.975711 6.960351 5.620699 7.443337 7.737747 7.735825 4.640118 8.674249 9.157618 9.610516 2.660309 3.547701 1.201245 3.763565 4.619792 5.898319 0.000000 5.145372 4.543256 5.645123 6.538811 5.812153 4.513553 6.525721 8.003760 4.951391 8.979246 8.964896 10.417085 4.731957 3.536350 5.980580 4.111481 2.512661 1.539729 7.055350 0.000000 3.972709 2.578372 2.178066 1.083656 2.178210 2.674175 3.508588 2.184323 2.665856 2.767486 2.765131 4.264519 4.997384 5.649342 6.106154 6.499874 5.777998 6.740405 7.133464 6.293434 0.000000 2.436272 3.277538 2.225698 2.245812 1.083235 3.518394 2.694517 2.791068 2.162993 4.056576 5.007484 5.016443 3.903127 4.629378 4.563525 4.859700 5.433157 6.519942 5.378902 6.528686 3.087801 0.000000 4.065488 3.499937 2.161558 3.478853 3.099981 1.095251 2.791079 4.760981 3.322166 5.843279 6.189419 7.144150 4.832739 4.438490 6.141967 4.742866 4.406701 4.664080 7.271618 3.841306 3.661551 3.817198 0.000000 3.914706 2.410243 2.177627 2.737222 2.813646 1.089257 3.487279 4.158269 2.752773 4.991882 4.974238 6.445592 4.599401 4.571544 5.994175 5.367417 4.344590 4.886698 7.170107 4.114030 2.404077 3.842913 1.767997 0.000000 5.163146 4.056801 2.147368 3.079373 3.519761 1.094667 2.771516 4.147337 4.080120 4.955350 5.116320 6.241996 6.069470 5.938450 7.396838 6.418223 5.806887 6.114062 8.534316 5.109875 3.098885 4.349113 1.769435 1.772590 0.000000 5.529684 5.301635 2.156164 3.080429 3.473944 2.814685 1.094703 3.345255 4.735482 4.329602 5.189605 5.150329 6.816243 6.913984 7.840949 6.991823 7.254338 7.750038 8.799926 7.026766 3.836784 3.689454 3.186892 3.807419 2.607691 0.000000 4.633896 5.022700 2.186724 2.813050 2.720315 3.492562 1.090813 2.828111 4.134702 4.047084 5.232544 4.716094 6.051073 6.389061 6.823206 6.347967 7.029450 7.769749 7.639470 7.383472 3.853252 2.426061 3.780521 4.339920 3.792683 1.766211 0.000000 4.551062 4.897744 2.154733 3.505310 3.078923 2.753331 1.094333 4.127364 4.121616 5.368837 6.284554 6.268634 5.762517 5.672233 6.704434 5.484070 6.169978 6.623754 7.623914 6.104299 4.319931 3.097198 2.561606 3.764439 3.075598 1.770301 1.765281 0.000000 4.887807 4.903524 2.899830 2.182530 2.809706 4.339954 2.869177 1.087094 4.181743 2.077279 3.485131 2.633203 6.312178 7.092669 6.976480 7.406827 7.707579 8.718304 7.721919 8.423971 3.112524 2.590880 5.044959 4.791754 4.630003 3.212855 2.243200 3.843997 0.000000 5.810432 4.281080 3.992654 2.709912 4.072307 4.421759 5.029293 2.713235 4.556155 2.185502 1.089419 3.493760 6.751809 7.540638 7.749695 8.487053 7.577005 8.539472 8.690328 8.019603 2.045088 4.780783 5.495346 4.106075 4.460517 5.040448 5.216857 5.999479 3.789033 0.000000 6.711262 5.502673 5.302739 3.850705 5.095535 6.014741 6.150337 3.239111 5.633499 2.149421 1.096277 2.785479 7.677305 8.691816 8.437417 9.615321 8.874558 9.976620 9.215585 9.605231 3.469430 5.533638 7.061705 5.759441 6.103474 6.194005 6.053252 7.183953 4.113165 1.767176 0.000000 7.317172 5.976353 5.031470 3.850839 5.340813 5.576128 5.674908 3.237632 6.106735 2.148972 1.096403 2.787106 8.380597 9.164656 9.321641 9.999357 9.250396 10.159971 10.212292 9.538967 3.532862 5.870184 6.660043 5.490073 5.354689 5.415547 5.725741 6.734600 4.112886 1.767166 1.757216 0.000000 7.343460 6.869184 5.836319 4.536180 5.579675 6.997276 6.119993 3.204510 6.538162 2.156846 2.797908 1.096632 8.560515 9.642354 9.072995 10.249941 10.133107 11.288496 9.674503 11.006762 4.783093 5.540724 7.933540 7.101915 7.099462 6.161314 5.600359 7.169248 3.402085 3.804653 2.602454 3.143379 0.000000 6.950126 6.802395 5.057572 4.088934 4.995541 6.368868 4.937287 2.611691 6.234212 2.170309 3.484149 1.092107 8.319370 9.250464 8.850855 9.626009 9.845792 10.909803 9.471407 10.585966 4.697009 4.768883 7.186635 6.734982 6.443123 4.943423 4.259368 5.941562 2.294750 4.336476 3.789394 3.789604 1.772366 0.000000 7.906521 7.258697 5.596260 4.540751 5.809845 6.628979 5.647581 3.206925 6.955169 2.157508 2.796842 1.096646 9.201880 10.076400 9.905985 10.617243 10.469292 11.456450 10.633570 10.954339 4.832913 5.882448 7.583623 6.889794 6.471463 5.383133 5.250281 6.724794 3.406305 3.805157 3.137782 2.603002 1.757946 1.772669 0.000000 2.080335 2.307834 5.045344 4.976335 3.934380 5.082904 6.256561 6.127076 2.485505 6.975008 7.075431 8.243806 1.091443 2.149944 2.093081 3.480434 2.527635 4.023552 3.189837 4.772799 4.766731 4.344013 5.092712 4.484033 6.121065 7.150506 6.521356 6.312334 6.512100 6.340385 7.257794 8.043167 8.427856 8.398907 9.117802 0.000000 3.567735 5.230758 6.383851 7.049022 5.571638 6.430647 6.897190 8.127380 4.706968 9.320167 9.873997 10.423566 2.885849 2.151789 2.779326 1.094482 3.223462 3.859436 3.215529 5.019649 7.317888 5.474629 5.809785 6.372566 7.463729 7.903240 7.099726 6.365875 8.061520 9.260934 10.270082 10.783245 10.810598 10.216261 11.305470 3.828584 0.000000 3.957040 5.096907 5.869971 6.821764 5.469073 5.574914 6.329294 8.045580 4.710557 9.273239 9.761790 10.475620 3.500742 2.168933 4.049270 1.089291 2.716878 2.763359 4.784579 3.646185 7.050797 5.584329 4.753846 5.590426 6.500719 7.208935 6.770842 5.654760 8.048093 9.064066 10.312947 10.554930 11.006444 10.313925 11.239822 4.305997 1.770888 0.000000 2.679139 4.378588 4.810772 5.644766 4.170369 4.961092 5.180849 6.701230 3.631798 7.962597 8.625582 9.050511 2.749814 2.141970 3.189546 1.094252 3.264927 3.946172 3.943168 4.618919 6.055601 4.050844 4.325222 5.108659 5.967054 6.182982 5.408789 4.613460 6.576909 8.065333 9.143089 9.471790 9.553160 8.800799 9.874525 3.771119 1.757918 1.769219 0.000000 3.496490 2.914881 5.443192 5.757876 4.880640 4.854029 6.669204 7.149084 3.511338 8.017356 7.937702 9.432591 2.580783 2.076483 3.772266 3.492433 1.088272 2.191116 4.847951 2.872214 5.389929 5.544304 4.625019 4.131525 5.766010 7.409578 7.244282 6.546395 7.638559 7.018940 8.294071 8.742759 9.769108 9.662713 10.157792 2.180859 4.113670 3.789421 4.114152 0.000000 5.481471 5.211798 7.111796 7.780447 6.853924 6.227334 8.096514 9.225890 5.662737 10.181149 10.130404 11.611048 4.510175 3.281323 5.421751 3.978676 2.124819 1.096766 6.302772 2.161019 7.486198 7.455161 5.644153 5.681208 6.985313 8.759956 8.801997 7.693638 9.637148 9.175742 10.593152 10.838176 12.051592 11.783161 12.272919 4.458353 4.497527 3.615879 4.881724 2.481079 0.000000 4.974067 5.268830 6.531278 7.440112 6.332009 5.783573 7.248639 8.832683 5.354846 9.940898 10.140455 11.293375 4.234203 2.732982 5.077164 2.774321 2.155662 1.092361 5.932478 2.168179 7.388778 6.761234 4.984593 5.531356 6.585260 7.969138 7.909013 6.661949 9.062861 9.280659 10.697654 10.858100 11.822707 11.310518 11.974018 4.596905 3.395160 2.078479 3.613219 3.088530 1.752560 0.000000 4.405513 6.157828 7.927531 7.870528 6.542364 8.463795 8.616545 8.542632 5.641652 9.448030 9.973296 10.287735 3.722985 4.542851 2.263968 4.602148 5.602229 6.820043 1.062748 8.039677 8.078309 6.201925 8.287869 8.215294 9.552373 9.691148 8.435681 8.495173 8.463891 9.565904 9.967526 11.043524 10.287084 10.101355 11.338014 4.207065 3.886824 5.577310 4.768709 5.842543 7.165294 6.782907 0.000000 4.727544 4.268210 4.801359 5.853440 5.117443 3.685903 5.546896 7.284442 4.479219 8.326025 8.442201 9.722059 4.611594 3.475471 5.899451 3.844640 2.793782 2.180663 7.002154 1.093384 5.744119 5.795123 2.878426 3.504300 4.283805 6.036898 6.426348 5.065050 7.629172 7.559986 9.158502 8.994341 10.379669 9.824408 10.240646 4.808646 4.867516 3.392061 4.107520 3.271997 3.074034 2.522327 8.004436 0.000000 6.199179 5.616538 6.516878 7.490742 6.811336 5.296716 7.284901 8.946030 6.021054 9.916019 9.881171 11.350456 5.763569 4.481917 6.952712 4.871546 3.464134 2.185821 7.982919 1.093552 7.248634 7.514871 4.557596 4.972863 5.750580 7.702248 8.189122 6.785836 9.354256 8.926933 10.557710 10.392149 11.978505 11.516066 11.838213 5.825010 5.723985 4.216937 5.411522 3.851753 2.491146 2.513794 8.934289 1.773018 0.000000 5.234345 4.164195 5.544138 6.253191 5.725304 4.330236 6.601196 7.729713 4.814511 8.582791 8.399376 10.061364 4.842622 3.905733 6.177359 4.780431 2.753665 2.185317 7.298910 1.093717 5.838701 6.568390 3.898663 3.710921 4.860702 7.033985 7.481238 6.350769 8.278720 7.399389 9.003655 8.941084 10.609782 10.338808 10.561621 4.647834 5.685423 4.502675 5.249977 2.679370 2.530018 3.081328 8.312338 1.763786 1.770483 0.000000 C18H26O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0002,1.3003,.2885;-.2662,-.0118,-1.4071;1.5263,-1.173,.9167;2.3479,-.3168,-.0209;1.0595,.2483,.5778;.7952,-2.368,.3327;1.9929,-1.3993,2.3435;3.6519,.2765,.3451;-.1037,.4724,-.3092;4.735,.3904,-.4372;4.8203,-.0833,-1.8654;5.9994,1.0299,.0802;-2.2767,1.4855,-.4111;-3.2341,.3883,.0239;-2.7416,2.8335,-.1001;-3.6765,.4479,1.4613;-3.5515,-.5594,-.8649;-4.3983,-1.78,-.6482;-3.1618,3.9334,.138;-3.5497,-3.0646,-.6718;2.2231,-.5886,-1.0624;1.1541,.9723,1.378;-.0891,-2.6091,.9322;.4708,-2.1924,-.6922;1.4552,-3.2413,.3436;2.7238,-2.2136,2.377;2.4572,-.5155,2.783;1.1453,-1.6809,2.9758;3.7265,.6637,1.3582;3.9015,-.5415,-2.2298;5.0661,.7535,-2.5297;5.6285,-.8161,-1.9747;6.273,1.8997,-.5291;5.9002,1.3585,1.1169;6.8421,.3305,.0223;-2.0861,1.4053,-1.4827;-4.3028,1.328,1.638;-4.2357,-.4373,1.7616;-2.8054,.5414,2.1169;-3.1072,-.4853,-1.8556;-5.1488,-1.8344,-1.4461;-4.9519,-1.7205,.2916;-3.5247,4.9103,.3462;-2.8201,-3.0604,.1425;-4.1782,-3.9532,-.566;-2.9946,-3.1511,-1.6103; 0.5026710 0.1640593 0.1429654 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= 596 RedAO= T EigKep= 1.87D-06 NBF= 596 NBsUse= 595 1.00D-06 EigRej= 2.98D-07 NBFU= 595 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= 611 610 610 611 611 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -852.197394295828 -852.197394296 1 8.483101091902e+02 -5.061339303953e+03 1.820726140246e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414806594 LenY= 1414426522 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. PT530.600S Wed Oct 9 22:45:47 2024 -19.16787 -19.11016 -10.30262 -10.25883 -10.20259 -10.18960 -10.18651 -10.18548 -10.18124 -10.17968 -10.17504 -10.17380 -10.17339 -10.16843 -10.16662 -10.16546 -10.16502 -10.16500 -10.16350 -10.16086 -1.10652 -1.02262 -0.88784 -0.83756 -0.81191 -0.79189 -0.75543 -0.74533 -0.72335 -0.70178 -0.69570 -0.69389 -0.68912 -0.64515 -0.61978 -0.57265 -0.55218 -0.54582 -0.54085 -0.53212 -0.50176 -0.49869 -0.49298 -0.47453 -0.46971 -0.45601 -0.45039 -0.44073 -0.43682 -0.43181 -0.42572 -0.41347 -0.41255 -0.40340 -0.39734 -0.38962 -0.38810 -0.38518 -0.38116 -0.37932 -0.37626 -0.37137 -0.36678 -0.35791 -0.35228 -0.34200 -0.33385 -0.32364 -0.31176 -0.29812 -0.29029 -0.28295 -0.27584 -0.25211 -0.23000 -0.01463 -0.01148 -0.00222 0.00545 0.01198 0.01400 0.01471 0.01874 0.02065 0.02591 0.02830 0.03400 0.03545 0.04025 0.04061 0.04448 0.04776 0.05234 0.05321 0.05676 0.05841 0.06609 0.06677 0.06974 0.07521 0.07776 0.08082 0.08363 0.08574 0.08874 0.09423 0.09563 0.09848 0.10245 0.10805 0.10928 0.11552 0.11754 0.11832 0.12132 0.12575 0.12843 0.13236 0.13571 0.13804 0.14010 0.14679 0.14884 0.15040 0.15277 0.15742 0.15887 0.16247 0.16635 0.16784 0.16865 0.17401 0.17730 0.18294 0.18444 0.18876 0.19218 0.19288 0.19522 0.19834 0.20083 0.20479 0.20625 0.20992 0.21336 0.21592 0.21906 0.21993 0.22397 0.22759 0.22909 0.23182 0.23248 0.23546 0.23744 0.23873 0.24326 0.24621 0.24809 0.25157 0.25340 0.25926 0.26058 0.26373 0.26735 0.27079 0.27246 0.27432 0.27756 0.28290 0.28429 0.28538 0.28898 0.29020 0.29406 0.29804 0.30271 0.30911 0.31147 0.31370 0.31813 0.32523 0.32633 0.33759 0.34329 0.35379 0.35495 0.35799 0.36069 0.36718 0.37495 0.37702 0.38351 0.38879 0.39836 0.40539 0.41149 0.41397 0.42144 0.42743 0.43039 0.43295 0.44159 0.45068 0.45830 0.45948 0.46532 0.47734 0.48186 0.48752 0.49584 0.50157 0.50812 0.51669 0.52405 0.52508 0.52774 0.53969 0.54374 0.55533 0.56135 0.56621 0.57142 0.58046 0.58888 0.59582 0.60508 0.60883 0.61159 0.61680 0.62298 0.62546 0.63072 0.63445 0.63951 0.64598 0.64865 0.65176 0.65837 0.66110 0.66488 0.67085 0.67213 0.67695 0.68349 0.68722 0.69238 0.69300 0.69689 0.69785 0.70074 0.70710 0.71009 0.71542 0.71779 0.71919 0.72435 0.72895 0.73026 0.73644 0.74071 0.74229 0.74830 0.75293 0.75738 0.76603 0.76705 0.76949 0.77286 0.78292 0.79326 0.79657 0.80111 0.80564 0.81096 0.81865 0.83087 0.83912 0.85247 0.86145 0.86591 0.88258 0.89765 0.90340 0.91086 0.92164 0.93140 0.94045 0.94802 0.96364 0.97981 0.98628 1.00345 1.00717 1.01061 1.01362 1.03164 1.04712 1.05295 1.07419 1.07653 1.08074 1.09834 1.10365 1.13714 1.13870 1.14779 1.15970 1.17733 1.18049 1.19920 1.20763 1.22563 1.23419 1.24343 1.26225 1.27191 1.28014 1.29381 1.30806 1.31731 1.32831 1.33414 1.33776 1.35076 1.36893 1.37302 1.38776 1.39951 1.40582 1.41570 1.42440 1.43660 1.44863 1.45311 1.45694 1.46394 1.46571 1.47119 1.47738 1.48380 1.50258 1.50410 1.50747 1.50913 1.52000 1.52443 1.53400 1.54016 1.54851 1.55937 1.56742 1.57077 1.57762 1.57887 1.58268 1.59100 1.59662 1.60037 1.61108 1.61546 1.61622 1.62410 1.63070 1.63381 1.64196 1.65413 1.65656 1.67625 1.67718 1.68887 1.69010 1.69664 1.70399 1.71376 1.71431 1.72230 1.73276 1.73401 1.74359 1.75093 1.75444 1.76342 1.77393 1.77953 1.78202 1.78892 1.79811 1.80934 1.81571 1.82414 1.82809 1.84740 1.85006 1.86109 1.87022 1.88416 1.88821 1.90087 1.90597 1.92165 1.92528 1.95035 1.95835 1.97021 1.97252 1.98030 2.00172 2.01199 2.02255 2.03971 2.04304 2.04833 2.06322 2.06942 2.07767 2.09284 2.10358 2.11141 2.11834 2.13089 2.13520 2.13868 2.14608 2.16375 2.17227 2.17453 2.18274 2.20352 2.22070 2.23697 2.24719 2.26018 2.28218 2.30966 2.31997 2.34245 2.34562 2.35857 2.36917 2.38904 2.40805 2.42297 2.43125 2.44323 2.44603 2.46154 2.46265 2.46761 2.47464 2.48264 2.48748 2.50491 2.50911 2.51481 2.52303 2.53321 2.53644 2.54254 2.54570 2.54984 2.55170 2.56127 2.57027 2.57974 2.58403 2.58990 2.60667 2.61203 2.61940 2.62963 2.63300 2.63409 2.64432 2.65532 2.66461 2.66744 2.67691 2.68778 2.69400 2.70129 2.70398 2.71572 2.72188 2.73754 2.75172 2.75380 2.76497 2.77111 2.77714 2.79372 2.81484 2.82002 2.83375 2.84273 2.85383 2.87284 2.88151 2.88613 2.89319 2.90691 2.91851 2.93224 2.95631 2.96453 2.97286 2.98318 2.98902 2.99813 3.00422 3.03476 3.05370 3.05896 3.06259 3.07035 3.08782 3.09150 3.10124 3.12636 3.13310 3.15549 3.16730 3.18902 3.21277 3.22229 3.24159 3.27184 3.30606 3.32018 3.34061 3.35836 3.39254 3.41189 3.44189 3.46339 3.58439 3.60194 3.64236 3.65872 3.68461 3.70340 3.71536 3.76052 3.79384 3.80579 3.80924 3.81153 3.81733 3.82078 3.82721 3.83431 3.83821 3.84743 3.84917 3.88818 3.92125 4.03943 4.08368 4.10626 4.15608 4.19485 4.22266 4.27285 4.29036 4.31007 4.40154 4.44830 4.56311 4.59522 5.13435 5.14647 5.31310 5.39756 5.66410 5.91526 23.56269 23.69134 23.71866 23.80398 23.84284 23.87766 23.89030 23.89881 23.93253 23.96947 23.97598 23.98691 23.98816 23.99532 24.01326 24.25126 24.26692 25.14643 49.94051 50.03749 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 44 45 46 O O 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 H H H H H H H 0.153808 -0.219225 0.188649 0.654535 -0.078708 -0.545408 -0.510584 -0.032438 -0.738336 0.082417 -0.732828 -0.606245 -0.441641 0.944464 0.470658 -0.663119 -0.284380 -0.423240 -0.468668 -0.500375 0.145887 0.159415 0.132763 0.164525 0.144638 0.147472 0.127583 0.148469 0.089083 0.136319 0.146809 0.146766 0.143676 0.133790 0.144439 0.191074 0.166584 0.129234 0.164851 0.132303 0.147048 0.132394 0.152996 0.138049 0.140501 0.143997 -0.00000 0.1842 -0.6881 1.3284 1.5073 -113.6568 -119.9369 -124.5629 0.3901 -1.2449 0.6798 5.7287 -0.5514 -5.1773 0.3901 -1.2449 0.6798 13.9428 33.7970 -0.5246 -29.3532 3.3842 -6.1501 3.8141 -2.3905 3.9822 -4.6723 -7997.6536 -2006.9289 -980.9151 48.9447 -85.5625 -174.1492 39.7957 10.9448 4.8057 -1610.3823 -1495.5493 -545.3355 35.9619 -27.2420 25.5685 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON28 APULGAR 2024-10-09T00:00:00.000 0 Wavefunction Empenthrin_EZ CONF50 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-852.1973943 RMSD=5.150e-09 Dipole=0.0917193,0.3039412,-0.5008789 Quadrupole=4.1954902,-0.4412699,-3.7542204,-0.6531761,0.9480643,0.6984695 PG=C01 [X(C18H26O2)] 0 -1.036625044 -1.1555398235 -0.3898939895 0 -0.2304804696 -0.0221997189 1.3992886817 0 1.6422235424 1.1949553393 -0.8308167673 0 2.4042868509 0.2213580854 0.0401949349 0 1.0859953421 -0.2157514941 -0.5992637124 0 0.9842145268 2.3863510632 -0.1590602239 0 2.1288763442 1.4975687509 -2.2365261983 0 3.6705054548 -0.4233114587 -0.3689654753 0 -0.0931612632 -0.4322218186 0.26827413 0 4.7405098753 -0.6628402644 0.4027958262 0 4.8483376194 -0.303421677 1.8624924013 0 5.9651372634 -1.3397550557 -0.1607853137 0 -2.3255786663 -1.31218702 0.2936804201 0 -3.2105926147 -0.1278274334 -0.0580891481 0 -2.8721714261 -2.6015192624 -0.1173372083 0 -3.6488715132 -0.0521818242 -1.4960217136 0 -3.4725526589 0.7687439743 0.8991087464 0 -4.2405030357 2.0527705786 0.7742198847 0 -3.3589550715 -3.6520894561 -0.4372325112 0 -3.313566187 3.2763654651 0.8940869654 0 2.2915571905 0.4219214755 1.0991456054 0 1.139171991 -0.8824412301 -1.4513759571 0 0.1195550815 2.7264171881 -0.7389679084 0 0.6445342535 2.1553316048 0.8497646364 0 1.6974103322 3.215006276 -0.1044974601 0 2.9092583848 2.2647810872 -2.2089091477 0 2.5392352064 0.6217581486 -2.7409414092 0 1.3035469629 1.8780316964 -2.8461529378 0 3.7256432408 -0.7376743821 -1.4081524082 0 3.9581684891 0.1827995126 2.2600122878 0 5.0382385089 -1.2011951093 2.4622958699 0 5.7001035035 0.3671799484 2.026470452 0 6.1809481725 -2.2680438971 0.3817157123 0 5.8505791471 -1.583156067 -1.2192417271 0 6.8495057934 -0.7007111327 -0.050571145 0 -2.1355866239 -1.3243960644 1.3683908719 0 -4.3279396643 -0.8756828843 -1.7381018363 0 -4.150368045 0.8862577965 -1.7292333715 0 -2.7821215958 -0.1507369776 -2.1566416193 0 -3.0385289894 0.5932890461 1.8815419188 0 -4.990009054 2.0942247966 1.5738557563 0 -4.7921763882 2.0983380649 -0.167498151 0 -3.781039529 -4.586153483 -0.7179501617 0 -2.5817284189 3.2874112017 0.0818185901 0 -3.8849299896 4.2079625304 0.8550230872 0 -2.7587478577 3.257629605 1.8364465484 Gaussian 16 9-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C18H26O2)] RB3LYP TD-FC 6-311+G(d,p) SP #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0366,-1.1555,-.3899;-.2305,-.0222,1.3993;1.6422,1.195,-.8308;2.4043,.2214,.0402;1.086,-.2158,-.5993;.9842,2.3864,-.1591;2.1289,1.4976,-2.2365;3.6705,-.4233,-.369;-.0932,-.4322,.2683;4.7405,-.6628,.4028;4.8483,-.3034,1.8625;5.9651,-1.3398,-.1608;-2.3256,-1.3122,.2937;-3.2106,-.1278,-.0581;-2.8722,-2.6015,-.1173;-3.6489,-.0522,-1.496;-3.4726,.7687,.8991;-4.2405,2.0528,.7742;-3.359,-3.6521,-.4372;-3.3136,3.2764,.8941;2.2916,.4219,1.0991;1.1392,-.8824,-1.4514;.1196,2.7264,-.739;.6445,2.1553,.8498;1.6974,3.215,-.1045;2.9093,2.2648,-2.2089;2.5392,.6218,-2.7409;1.3035,1.878,-2.8462;3.7256,-.7377,-1.4082;3.9582,.1828,2.26;5.0382,-1.2012,2.4623;5.7001,.3672,2.0265;6.1809,-2.268,.3817;5.8506,-1.5832,-1.2192;6.8495,-.7007,-.0506;-2.1356,-1.3244,1.3684;-4.3279,-.8757,-1.7381;-4.1504,.8863,-1.7292;-2.7821,-.1507,-2.1566;-3.0385,.5933,1.8815;-4.99,2.0942,1.5739;-4.7922,2.0983,-.1675;-3.781,-4.5862,-.7179;-2.5817,3.2874,.0818;-3.8849,4.208,.855;-2.7587,3.2576,1.8364; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=111,11=9,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3,8 4/5=1/1 5/5=2,38=6/2 8/6=1,10=2,108=10/1 9/41=10,42=1,48=1,70=2/14 6/7=2,8=2,9=2,10=2/1 99/5=1,9=1/99 Electronic spectrum Empenthrin_EZ CONF50 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 616 A 596 A 596 928 616 75 75 1540.1498999282 46 46 46 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 -0.0442397066 0.000000 2.266165 0.000000 3.591026 3.156241 0.000000 3.731045 2.974635 1.512380 0.000000 2.330784 2.400996 1.533982 1.529008 0.000000 4.084369 3.115293 1.517780 2.596825 2.641037 0.000000 4.524316 4.592974 1.518033 2.624504 2.589150 2.532992 0.000000 4.763788 4.301779 2.635531 1.478621 2.603039 3.892868 3.090984 0.000000 1.358859 1.210854 2.620547 2.591608 1.479828 3.047574 3.864656 3.817243 0.000000 5.852042 5.110202 3.817405 2.524128 3.815690 4.870627 4.295814 1.340858 4.841039 0.000000 6.358627 5.107645 4.447271 3.093468 4.497016 5.123768 5.238415 2.526077 5.193894 1.507157 0.000000 7.007931 6.523455 5.055817 3.893215 5.026099 6.220407 5.203461 2.479626 6.140903 1.508492 2.532762 0.000000 1.467383 2.697383 4.826356 4.978719 3.693015 4.983863 5.842845 6.097723 2.399723 7.096701 7.412412 8.303208 0.000000 2.427431 3.319062 5.088879 5.626585 4.331428 4.891594 5.991446 6.894452 3.149214 7.982398 8.286484 9.255989 1.519769 0.000000 2.352525 3.991438 5.941552 5.986190 4.646636 6.304943 6.804702 6.900328 3.546469 7.872860 8.295013 8.927035 1.459478 2.497437 0.000000 3.043805 4.479857 5.476635 6.251041 4.821814 5.403646 6.027640 7.414936 3.987511 8.623232 9.140312 9.791316 2.557685 1.505145 3.000526 0.000000 3.361271 3.374434 5.416201 5.964445 4.898440 4.857895 6.460604 7.352026 3.641505 8.351656 8.444813 9.728265 2.452013 1.337420 3.571035 2.538042 0.000000 4.681159 4.558124 6.157797 6.931529 5.950146 5.317891 7.066954 8.367910 4.861236 9.389946 9.452143 10.795303 3.901383 2.551169 4.932506 3.151960 1.501356 0.000000 3.410017 5.131887 6.975711 6.960351 5.620699 7.443337 7.737747 7.735825 4.640118 8.674249 9.157618 9.610516 2.660309 3.547701 1.201245 3.763565 4.619792 5.898319 0.000000 5.145372 4.543256 5.645123 6.538811 5.812153 4.513553 6.525721 8.003760 4.951391 8.979246 8.964896 10.417085 4.731957 3.536350 5.980580 4.111481 2.512661 1.539729 7.055350 0.000000 3.972709 2.578372 2.178066 1.083656 2.178210 2.674175 3.508588 2.184323 2.665856 2.767486 2.765131 4.264519 4.997384 5.649342 6.106154 6.499874 5.777998 6.740405 7.133464 6.293434 0.000000 2.436272 3.277538 2.225698 2.245812 1.083235 3.518394 2.694517 2.791068 2.162993 4.056576 5.007484 5.016443 3.903127 4.629378 4.563525 4.859700 5.433157 6.519942 5.378902 6.528686 3.087801 0.000000 4.065488 3.499937 2.161558 3.478853 3.099981 1.095251 2.791079 4.760981 3.322166 5.843279 6.189419 7.144150 4.832739 4.438490 6.141967 4.742866 4.406701 4.664080 7.271618 3.841306 3.661551 3.817198 0.000000 3.914706 2.410243 2.177627 2.737222 2.813646 1.089257 3.487279 4.158269 2.752773 4.991882 4.974238 6.445592 4.599401 4.571544 5.994175 5.367417 4.344590 4.886698 7.170107 4.114030 2.404077 3.842913 1.767997 0.000000 5.163146 4.056801 2.147368 3.079373 3.519761 1.094667 2.771516 4.147337 4.080120 4.955350 5.116320 6.241996 6.069470 5.938450 7.396838 6.418223 5.806887 6.114062 8.534316 5.109875 3.098885 4.349113 1.769435 1.772590 0.000000 5.529684 5.301635 2.156164 3.080429 3.473944 2.814685 1.094703 3.345255 4.735482 4.329602 5.189605 5.150329 6.816243 6.913984 7.840949 6.991823 7.254338 7.750038 8.799926 7.026766 3.836784 3.689454 3.186892 3.807419 2.607691 0.000000 4.633896 5.022700 2.186724 2.813050 2.720315 3.492562 1.090813 2.828111 4.134702 4.047084 5.232544 4.716094 6.051073 6.389061 6.823206 6.347967 7.029450 7.769749 7.639470 7.383472 3.853252 2.426061 3.780521 4.339920 3.792683 1.766211 0.000000 4.551062 4.897744 2.154733 3.505310 3.078923 2.753331 1.094333 4.127364 4.121616 5.368837 6.284554 6.268634 5.762517 5.672233 6.704434 5.484070 6.169978 6.623754 7.623914 6.104299 4.319931 3.097198 2.561606 3.764439 3.075598 1.770301 1.765281 0.000000 4.887807 4.903524 2.899830 2.182530 2.809706 4.339954 2.869177 1.087094 4.181743 2.077279 3.485131 2.633203 6.312178 7.092669 6.976480 7.406827 7.707579 8.718304 7.721919 8.423971 3.112524 2.590880 5.044959 4.791754 4.630003 3.212855 2.243200 3.843997 0.000000 5.810432 4.281080 3.992654 2.709912 4.072307 4.421759 5.029293 2.713235 4.556155 2.185502 1.089419 3.493760 6.751809 7.540638 7.749695 8.487053 7.577005 8.539472 8.690328 8.019603 2.045088 4.780783 5.495346 4.106075 4.460517 5.040448 5.216857 5.999479 3.789033 0.000000 6.711262 5.502673 5.302739 3.850705 5.095535 6.014741 6.150337 3.239111 5.633499 2.149421 1.096277 2.785479 7.677305 8.691816 8.437417 9.615321 8.874558 9.976620 9.215585 9.605231 3.469430 5.533638 7.061705 5.759441 6.103474 6.194005 6.053252 7.183953 4.113165 1.767176 0.000000 7.317172 5.976353 5.031470 3.850839 5.340813 5.576128 5.674908 3.237632 6.106735 2.148972 1.096403 2.787106 8.380597 9.164656 9.321641 9.999357 9.250396 10.159971 10.212292 9.538967 3.532862 5.870184 6.660043 5.490073 5.354689 5.415547 5.725741 6.734600 4.112886 1.767166 1.757216 0.000000 7.343460 6.869184 5.836319 4.536180 5.579675 6.997276 6.119993 3.204510 6.538162 2.156846 2.797908 1.096632 8.560515 9.642354 9.072995 10.249941 10.133107 11.288496 9.674503 11.006762 4.783093 5.540724 7.933540 7.101915 7.099462 6.161314 5.600359 7.169248 3.402085 3.804653 2.602454 3.143379 0.000000 6.950126 6.802395 5.057572 4.088934 4.995541 6.368868 4.937287 2.611691 6.234212 2.170309 3.484149 1.092107 8.319370 9.250464 8.850855 9.626009 9.845792 10.909803 9.471407 10.585966 4.697009 4.768883 7.186635 6.734982 6.443123 4.943423 4.259368 5.941562 2.294750 4.336476 3.789394 3.789604 1.772366 0.000000 7.906521 7.258697 5.596260 4.540751 5.809845 6.628979 5.647581 3.206925 6.955169 2.157508 2.796842 1.096646 9.201880 10.076400 9.905985 10.617243 10.469292 11.456450 10.633570 10.954339 4.832913 5.882448 7.583623 6.889794 6.471463 5.383133 5.250281 6.724794 3.406305 3.805157 3.137782 2.603002 1.757946 1.772669 0.000000 2.080335 2.307834 5.045344 4.976335 3.934380 5.082904 6.256561 6.127076 2.485505 6.975008 7.075431 8.243806 1.091443 2.149944 2.093081 3.480434 2.527635 4.023552 3.189837 4.772799 4.766731 4.344013 5.092712 4.484033 6.121065 7.150506 6.521356 6.312334 6.512100 6.340385 7.257794 8.043167 8.427856 8.398907 9.117802 0.000000 3.567735 5.230758 6.383851 7.049022 5.571638 6.430647 6.897190 8.127380 4.706968 9.320167 9.873997 10.423566 2.885849 2.151789 2.779326 1.094482 3.223462 3.859436 3.215529 5.019649 7.317888 5.474629 5.809785 6.372566 7.463729 7.903240 7.099726 6.365875 8.061520 9.260934 10.270082 10.783245 10.810598 10.216261 11.305470 3.828584 0.000000 3.957040 5.096907 5.869971 6.821764 5.469073 5.574914 6.329294 8.045580 4.710557 9.273239 9.761790 10.475620 3.500742 2.168933 4.049270 1.089291 2.716878 2.763359 4.784579 3.646185 7.050797 5.584329 4.753846 5.590426 6.500719 7.208935 6.770842 5.654760 8.048093 9.064066 10.312947 10.554930 11.006444 10.313925 11.239822 4.305997 1.770888 0.000000 2.679139 4.378588 4.810772 5.644766 4.170369 4.961092 5.180849 6.701230 3.631798 7.962597 8.625582 9.050511 2.749814 2.141970 3.189546 1.094252 3.264927 3.946172 3.943168 4.618919 6.055601 4.050844 4.325222 5.108659 5.967054 6.182982 5.408789 4.613460 6.576909 8.065333 9.143089 9.471790 9.553160 8.800799 9.874525 3.771119 1.757918 1.769219 0.000000 3.496490 2.914881 5.443192 5.757876 4.880640 4.854029 6.669204 7.149084 3.511338 8.017356 7.937702 9.432591 2.580783 2.076483 3.772266 3.492433 1.088272 2.191116 4.847951 2.872214 5.389929 5.544304 4.625019 4.131525 5.766010 7.409578 7.244282 6.546395 7.638559 7.018940 8.294071 8.742759 9.769108 9.662713 10.157792 2.180859 4.113670 3.789421 4.114152 0.000000 5.481471 5.211798 7.111796 7.780447 6.853924 6.227334 8.096514 9.225890 5.662737 10.181149 10.130404 11.611048 4.510175 3.281323 5.421751 3.978676 2.124819 1.096766 6.302772 2.161019 7.486198 7.455161 5.644153 5.681208 6.985313 8.759956 8.801997 7.693638 9.637148 9.175742 10.593152 10.838176 12.051592 11.783161 12.272919 4.458353 4.497527 3.615879 4.881724 2.481079 0.000000 4.974067 5.268830 6.531278 7.440112 6.332009 5.783573 7.248639 8.832683 5.354846 9.940898 10.140455 11.293375 4.234203 2.732982 5.077164 2.774321 2.155662 1.092361 5.932478 2.168179 7.388778 6.761234 4.984593 5.531356 6.585260 7.969138 7.909013 6.661949 9.062861 9.280659 10.697654 10.858100 11.822707 11.310518 11.974018 4.596905 3.395160 2.078479 3.613219 3.088530 1.752560 0.000000 4.405513 6.157828 7.927531 7.870528 6.542364 8.463795 8.616545 8.542632 5.641652 9.448030 9.973296 10.287735 3.722985 4.542851 2.263968 4.602148 5.602229 6.820043 1.062748 8.039677 8.078309 6.201925 8.287869 8.215294 9.552373 9.691148 8.435681 8.495173 8.463891 9.565904 9.967526 11.043524 10.287084 10.101355 11.338014 4.207065 3.886824 5.577310 4.768709 5.842543 7.165294 6.782907 0.000000 4.727544 4.268210 4.801359 5.853440 5.117443 3.685903 5.546896 7.284442 4.479219 8.326025 8.442201 9.722059 4.611594 3.475471 5.899451 3.844640 2.793782 2.180663 7.002154 1.093384 5.744119 5.795123 2.878426 3.504300 4.283805 6.036898 6.426348 5.065050 7.629172 7.559986 9.158502 8.994341 10.379669 9.824408 10.240646 4.808646 4.867516 3.392061 4.107520 3.271997 3.074034 2.522327 8.004436 0.000000 6.199179 5.616538 6.516878 7.490742 6.811336 5.296716 7.284901 8.946030 6.021054 9.916019 9.881171 11.350456 5.763569 4.481917 6.952712 4.871546 3.464134 2.185821 7.982919 1.093552 7.248634 7.514871 4.557596 4.972863 5.750580 7.702248 8.189122 6.785836 9.354256 8.926933 10.557710 10.392149 11.978505 11.516066 11.838213 5.825010 5.723985 4.216937 5.411522 3.851753 2.491146 2.513794 8.934289 1.773018 0.000000 5.234345 4.164195 5.544138 6.253191 5.725304 4.330236 6.601196 7.729713 4.814511 8.582791 8.399376 10.061364 4.842622 3.905733 6.177359 4.780431 2.753665 2.185317 7.298910 1.093717 5.838701 6.568390 3.898663 3.710921 4.860702 7.033985 7.481238 6.350769 8.278720 7.399389 9.003655 8.941084 10.609782 10.338808 10.561621 4.647834 5.685423 4.502675 5.249977 2.679370 2.530018 3.081328 8.312338 1.763786 1.770483 0.000000 C18H26O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0002,1.3003,.2885;-.2662,-.0118,-1.4071;1.5263,-1.173,.9167;2.3479,-.3168,-.0209;1.0595,.2483,.5778;.7952,-2.368,.3327;1.9929,-1.3993,2.3435;3.6519,.2765,.3451;-.1037,.4724,-.3092;4.735,.3904,-.4372;4.8203,-.0833,-1.8654;5.9994,1.0299,.0802;-2.2767,1.4855,-.4111;-3.2341,.3883,.0239;-2.7416,2.8335,-.1001;-3.6765,.4479,1.4613;-3.5515,-.5594,-.8649;-4.3983,-1.78,-.6482;-3.1618,3.9334,.138;-3.5497,-3.0646,-.6718;2.2231,-.5886,-1.0624;1.1541,.9723,1.378;-.0891,-2.6091,.9322;.4708,-2.1924,-.6922;1.4552,-3.2413,.3436;2.7238,-2.2136,2.377;2.4572,-.5155,2.783;1.1453,-1.6809,2.9758;3.7265,.6637,1.3582;3.9015,-.5415,-2.2298;5.0661,.7535,-2.5297;5.6285,-.8161,-1.9747;6.273,1.8997,-.5291;5.9002,1.3585,1.1169;6.8421,.3305,.0223;-2.0861,1.4053,-1.4827;-4.3028,1.328,1.638;-4.2357,-.4373,1.7616;-2.8054,.5414,2.1169;-3.1072,-.4853,-1.8556;-5.1488,-1.8344,-1.4461;-4.9519,-1.7205,.2916;-3.5247,4.9103,.3462;-2.8201,-3.0604,.1425;-4.1782,-3.9532,-.566;-2.9946,-3.1511,-1.6103; 0.5026710 0.1640593 0.1429654 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= 596 RedAO= T EigKep= 1.87D-06 NBF= 596 NBsUse= 595 1.00D-06 EigRej= 2.98D-07 NBFU= 595 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= 611 610 610 611 611 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -852.197394295827 -852.197394296 1 8.483101091902e+02 -5.061339303953e+03 1.820726140246e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1414806594 LenY= 1414426522 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 5.2911 234.33 0.1460 0.000 75 77 0.66785 75 78 -0.11851 75 80 -0.14403 -852.002949548 2 Singlet-A 5.4321 228.25 0.0146 0.000 75 76 0.67862 75 78 0.13525 75 79 -0.10138 3 Singlet-A 5.5161 224.77 0.0303 0.000 75 76 -0.17692 75 78 0.56056 75 79 -0.36721 4 Singlet-A 5.6428 219.72 0.0217 0.000 70 77 -0.17359 71 77 0.11869 72 77 -0.10395 73 77 0.40315 73 80 -0.11336 74 77 0.45792 74 80 -0.10264 5 Singlet-A 5.8557 211.73 0.0203 0.000 75 78 0.35692 75 79 0.52959 75 82 -0.26150 6 Singlet-A 5.9178 209.51 0.0621 0.000 70 77 -0.12627 72 76 0.14995 73 76 0.18783 73 77 0.28519 74 76 0.44488 74 77 -0.27925 7 Singlet-A 5.9504 208.36 0.0728 0.000 70 77 0.11055 72 76 0.16559 73 76 0.26326 73 77 -0.26748 74 76 0.27121 74 77 0.41547 8 Singlet-A 5.9883 207.05 0.0008 0.000 75 78 0.10061 75 79 0.12819 75 81 -0.31957 75 82 0.44751 75 83 -0.10324 75 84 -0.32583 75 85 0.13345 75 86 -0.11233 9 Singlet-A 6.0458 205.08 0.0833 0.000 72 76 0.28340 73 76 0.35992 74 76 -0.35253 74 78 -0.22997 74 79 -0.13311 10 Singlet-A 6.0851 203.75 0.1383 0.000 74 78 -0.11382 75 77 0.12010 75 80 0.54328 75 81 0.27163 75 82 0.16622 75 84 0.10115 75 88 0.14347 PT28352.200S 2024-10-10T02:04:33.000 -19.16787 -19.11016 -10.30262 -10.25883 -10.20259 -10.18960 -10.18651 -10.18548 -10.18124 -10.17968 -10.17504 -10.17380 -10.17339 -10.16843 -10.16662 -10.16546 -10.16502 -10.16500 -10.16350 -10.16086 -1.10652 -1.02262 -0.88784 -0.83756 -0.81191 -0.79189 -0.75543 -0.74533 -0.72335 -0.70178 -0.69570 -0.69389 -0.68912 -0.64515 -0.61978 -0.57265 -0.55218 -0.54582 -0.54085 -0.53212 -0.50176 -0.49869 -0.49298 -0.47453 -0.46971 -0.45601 -0.45039 -0.44073 -0.43682 -0.43181 -0.42572 -0.41347 -0.41255 -0.40340 -0.39734 -0.38962 -0.38810 -0.38518 -0.38116 -0.37932 -0.37626 -0.37137 -0.36678 -0.35791 -0.35228 -0.34200 -0.33385 -0.32364 -0.31176 -0.29812 -0.29029 -0.28295 -0.27584 -0.25211 -0.23000 -0.01463 -0.01148 -0.00222 0.00545 0.01198 0.01400 0.01471 0.01874 0.02065 0.02591 0.02830 0.03400 0.03545 0.04025 0.04061 0.04448 0.04776 0.05234 0.05321 0.05676 0.05841 0.06609 0.06677 0.06974 0.07521 0.07776 0.08082 0.08363 0.08574 0.08874 0.09423 0.09563 0.09848 0.10245 0.10805 0.10928 0.11552 0.11754 0.11832 0.12132 0.12575 0.12843 0.13236 0.13571 0.13804 0.14010 0.14679 0.14884 0.15040 0.15277 0.15742 0.15887 0.16247 0.16635 0.16784 0.16865 0.17401 0.17730 0.18294 0.18444 0.18876 0.19218 0.19288 0.19522 0.19834 0.20083 0.20479 0.20625 0.20992 0.21336 0.21592 0.21906 0.21993 0.22397 0.22759 0.22909 0.23182 0.23248 0.23546 0.23744 0.23873 0.24326 0.24621 0.24809 0.25157 0.25340 0.25926 0.26058 0.26373 0.26735 0.27079 0.27246 0.27432 0.27756 0.28290 0.28429 0.28538 0.28898 0.29020 0.29406 0.29804 0.30271 0.30911 0.31147 0.31370 0.31813 0.32523 0.32633 0.33759 0.34329 0.35379 0.35495 0.35799 0.36069 0.36718 0.37495 0.37702 0.38351 0.38879 0.39836 0.40539 0.41149 0.41397 0.42144 0.42743 0.43039 0.43295 0.44159 0.45068 0.45830 0.45948 0.46532 0.47734 0.48186 0.48752 0.49584 0.50157 0.50812 0.51669 0.52405 0.52508 0.52774 0.53969 0.54374 0.55533 0.56135 0.56621 0.57142 0.58046 0.58888 0.59582 0.60508 0.60883 0.61159 0.61680 0.62298 0.62546 0.63072 0.63445 0.63951 0.64598 0.64865 0.65176 0.65837 0.66110 0.66488 0.67085 0.67213 0.67695 0.68349 0.68722 0.69238 0.69300 0.69689 0.69785 0.70074 0.70710 0.71009 0.71542 0.71779 0.71919 0.72435 0.72895 0.73026 0.73644 0.74071 0.74229 0.74830 0.75293 0.75738 0.76603 0.76705 0.76949 0.77286 0.78292 0.79326 0.79657 0.80111 0.80564 0.81096 0.81865 0.83087 0.83912 0.85247 0.86145 0.86591 0.88258 0.89765 0.90340 0.91086 0.92164 0.93140 0.94045 0.94802 0.96364 0.97981 0.98628 1.00345 1.00717 1.01061 1.01362 1.03164 1.04712 1.05295 1.07419 1.07653 1.08074 1.09834 1.10365 1.13714 1.13870 1.14779 1.15970 1.17733 1.18049 1.19920 1.20763 1.22563 1.23419 1.24343 1.26225 1.27191 1.28014 1.29381 1.30806 1.31731 1.32831 1.33414 1.33776 1.35076 1.36893 1.37302 1.38776 1.39951 1.40582 1.41570 1.42440 1.43660 1.44863 1.45311 1.45694 1.46394 1.46571 1.47119 1.47738 1.48380 1.50258 1.50410 1.50747 1.50913 1.52000 1.52443 1.53400 1.54016 1.54851 1.55937 1.56742 1.57077 1.57762 1.57887 1.58268 1.59100 1.59662 1.60037 1.61108 1.61546 1.61622 1.62410 1.63070 1.63381 1.64196 1.65413 1.65656 1.67625 1.67718 1.68887 1.69010 1.69664 1.70399 1.71376 1.71431 1.72230 1.73276 1.73401 1.74359 1.75093 1.75444 1.76342 1.77393 1.77953 1.78202 1.78892 1.79811 1.80934 1.81571 1.82414 1.82809 1.84740 1.85006 1.86109 1.87022 1.88416 1.88821 1.90087 1.90597 1.92165 1.92528 1.95035 1.95835 1.97021 1.97252 1.98030 2.00172 2.01199 2.02255 2.03971 2.04304 2.04833 2.06322 2.06942 2.07767 2.09284 2.10358 2.11141 2.11834 2.13089 2.13520 2.13868 2.14608 2.16375 2.17227 2.17453 2.18274 2.20352 2.22070 2.23697 2.24719 2.26018 2.28218 2.30966 2.31997 2.34245 2.34562 2.35857 2.36917 2.38904 2.40805 2.42297 2.43125 2.44323 2.44603 2.46154 2.46265 2.46761 2.47464 2.48264 2.48748 2.50491 2.50911 2.51481 2.52303 2.53321 2.53644 2.54254 2.54570 2.54984 2.55170 2.56127 2.57027 2.57974 2.58403 2.58990 2.60667 2.61203 2.61940 2.62963 2.63300 2.63409 2.64432 2.65532 2.66461 2.66744 2.67691 2.68778 2.69400 2.70129 2.70398 2.71572 2.72188 2.73754 2.75172 2.75380 2.76497 2.77111 2.77714 2.79372 2.81484 2.82002 2.83375 2.84273 2.85383 2.87284 2.88151 2.88613 2.89319 2.90691 2.91851 2.93224 2.95631 2.96453 2.97286 2.98318 2.98902 2.99813 3.00422 3.03476 3.05370 3.05896 3.06259 3.07035 3.08782 3.09150 3.10124 3.12636 3.13310 3.15549 3.16730 3.18902 3.21277 3.22229 3.24159 3.27184 3.30606 3.32018 3.34061 3.35836 3.39254 3.41189 3.44189 3.46339 3.58439 3.60194 3.64236 3.65872 3.68461 3.70340 3.71536 3.76052 3.79384 3.80579 3.80924 3.81153 3.81733 3.82078 3.82721 3.83431 3.83821 3.84743 3.84917 3.88818 3.92125 4.03943 4.08368 4.10626 4.15608 4.19485 4.22266 4.27285 4.29036 4.31007 4.40154 4.44830 4.56311 4.59522 5.13435 5.14647 5.31310 5.39756 5.66410 5.91526 23.56269 23.69134 23.71866 23.80398 23.84284 23.87766 23.89030 23.89881 23.93253 23.96947 23.97598 23.98691 23.98816 23.99532 24.01326 24.25126 24.26692 25.14643 49.94051 50.03749 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 44 45 46 O O 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 H H H H H H H 0.153808 -0.219225 0.188649 0.654535 -0.078708 -0.545408 -0.510584 -0.032438 -0.738336 0.082417 -0.732828 -0.606245 -0.441641 0.944464 0.470658 -0.663119 -0.284380 -0.423240 -0.468668 -0.500375 0.145887 0.159415 0.132763 0.164525 0.144638 0.147472 0.127583 0.148469 0.089083 0.136319 0.146809 0.146766 0.143676 0.133790 0.144439 0.191074 0.166584 0.129234 0.164851 0.132303 0.147048 0.132394 0.152996 0.138049 0.140501 0.143997 -0.00000 0.1842 -0.6881 1.3284 1.5073 -113.6568 -119.9369 -124.5629 0.3901 -1.2449 0.6798 5.7287 -0.5514 -5.1773 0.3901 -1.2449 0.6798 13.9428 33.7970 -0.5246 -29.3532 3.3842 -6.1501 3.8141 -2.3905 3.9822 -4.6723 -7997.6536 -2006.9289 -980.9151 48.9447 -85.5625 -174.1492 39.7957 10.9448 4.8057 -1610.3823 -1495.5493 -545.3355 35.9619 -27.2420 25.5685 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON28 APULGAR 2024-10-10T00:00:00.000 0 Electronic spectrum Empenthrin_EZ CONF50 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-852.1973943 RMSD=5.805e-09 PG=C01 [X(C18H26O2)] 0 -1.036625044 -1.1555398235 -0.3898939895 0 -0.2304804696 -0.0221997189 1.3992886817 0 1.6422235424 1.1949553393 -0.8308167673 0 2.4042868509 0.2213580854 0.0401949349 0 1.0859953421 -0.2157514941 -0.5992637124 0 0.9842145268 2.3863510632 -0.1590602239 0 2.1288763442 1.4975687509 -2.2365261983 0 3.6705054548 -0.4233114587 -0.3689654753 0 -0.0931612632 -0.4322218186 0.26827413 0 4.7405098753 -0.6628402644 0.4027958262 0 4.8483376194 -0.303421677 1.8624924013 0 5.9651372634 -1.3397550557 -0.1607853137 0 -2.3255786663 -1.31218702 0.2936804201 0 -3.2105926147 -0.1278274334 -0.0580891481 0 -2.8721714261 -2.6015192624 -0.1173372083 0 -3.6488715132 -0.0521818242 -1.4960217136 0 -3.4725526589 0.7687439743 0.8991087464 0 -4.2405030357 2.0527705786 0.7742198847 0 -3.3589550715 -3.6520894561 -0.4372325112 0 -3.313566187 3.2763654651 0.8940869654 0 2.2915571905 0.4219214755 1.0991456054 0 1.139171991 -0.8824412301 -1.4513759571 0 0.1195550815 2.7264171881 -0.7389679084 0 0.6445342535 2.1553316048 0.8497646364 0 1.6974103322 3.215006276 -0.1044974601 0 2.9092583848 2.2647810872 -2.2089091477 0 2.5392352064 0.6217581486 -2.7409414092 0 1.3035469629 1.8780316964 -2.8461529378 0 3.7256432408 -0.7376743821 -1.4081524082 0 3.9581684891 0.1827995126 2.2600122878 0 5.0382385089 -1.2011951093 2.4622958699 0 5.7001035035 0.3671799484 2.026470452 0 6.1809481725 -2.2680438971 0.3817157123 0 5.8505791471 -1.583156067 -1.2192417271 0 6.8495057934 -0.7007111327 -0.050571145 0 -2.1355866239 -1.3243960644 1.3683908719 0 -4.3279396643 -0.8756828843 -1.7381018363 0 -4.150368045 0.8862577965 -1.7292333715 0 -2.7821215958 -0.1507369776 -2.1566416193 0 -3.0385289894 0.5932890461 1.8815419188 0 -4.990009054 2.0942247966 1.5738557563 0 -4.7921763882 2.0983380649 -0.167498151 0 -3.781039529 -4.586153483 -0.7179501617 0 -2.5817284189 3.2874112017 0.0818185901 0 -3.8849299896 4.2079625304 0.8550230872 0 -2.7587478577 3.257629605 1.8364465484 Gaussian 16 10-Oct-2024 Gaussian 16 3-Jul-2019 EM64L-G16RevC.01 132 C1[X(C18H26O2)] RB3LYP 6-311+G(3df,2p) SP #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0366,-1.1555,-.3899;-.2305,-.0222,1.3993;1.6422,1.195,-.8308;2.4043,.2214,.0402;1.086,-.2158,-.5993;.9842,2.3864,-.1591;2.1289,1.4976,-2.2365;3.6705,-.4233,-.369;-.0932,-.4322,.2683;4.7405,-.6628,.4028;4.8483,-.3034,1.8625;5.9651,-1.3398,-.1608;-2.3256,-1.3122,.2937;-3.2106,-.1278,-.0581;-2.8722,-2.6015,-.1173;-3.6489,-.0522,-1.496;-3.4726,.7687,.8991;-4.2405,2.0528,.7742;-3.359,-3.6521,-.4372;-3.3136,3.2764,.8941;2.2916,.4219,1.0991;1.1392,-.8824,-1.4514;.1196,2.7264,-.739;.6445,2.1553,.8498;1.6974,3.215,-.1045;2.9093,2.2648,-2.2089;2.5392,.6218,-2.7409;1.3035,1.878,-2.8462;3.7256,-.7377,-1.4082;3.9582,.1828,2.26;5.0382,-1.2012,2.4623;5.7001,.3672,2.0265;6.1809,-2.268,.3817;5.8506,-1.5832,-1.2192;6.8495,-.7007,-.0506;-2.1356,-1.3244,1.3684;-4.3279,-.8757,-1.7381;-4.1504,.8863,-1.7292;-2.7821,-.1507,-2.1566;-3.0385,.5933,1.8815;-4.99,2.0942,1.5739;-4.7922,2.0983,-.1675;-3.781,-4.5862,-.7179;-2.5817,3.2874,.0818;-3.8849,4.208,.855;-2.7587,3.2576,1.8364; oldchk=opt-b3lyp-pople.chk #P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read 1/29=2,38=1,172=1/1 2/12=2,40=1/2 3/5=4,6=6,7=216,11=2,14=-4,25=1,30=1,74=-5,116=-2,124=31/1,2,3 4/5=1/1 5/5=2,38=6/2 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 Single Point Empenthrin_EZ CONF50 gas Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 16 16 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 15.9949146 15.9949146 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 5.6000000 5.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 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 1134 A 1014 A 1014 1446 1134 75 75 1540.1498999282 46 46 46 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 -0.0442397066 0.000000 2.266165 0.000000 3.591026 3.156241 0.000000 3.731045 2.974635 1.512380 0.000000 2.330784 2.400996 1.533982 1.529008 0.000000 4.084369 3.115293 1.517780 2.596825 2.641037 0.000000 4.524316 4.592974 1.518033 2.624504 2.589150 2.532992 0.000000 4.763788 4.301779 2.635531 1.478621 2.603039 3.892868 3.090984 0.000000 1.358859 1.210854 2.620547 2.591608 1.479828 3.047574 3.864656 3.817243 0.000000 5.852042 5.110202 3.817405 2.524128 3.815690 4.870627 4.295814 1.340858 4.841039 0.000000 6.358627 5.107645 4.447271 3.093468 4.497016 5.123768 5.238415 2.526077 5.193894 1.507157 0.000000 7.007931 6.523455 5.055817 3.893215 5.026099 6.220407 5.203461 2.479626 6.140903 1.508492 2.532762 0.000000 1.467383 2.697383 4.826356 4.978719 3.693015 4.983863 5.842845 6.097723 2.399723 7.096701 7.412412 8.303208 0.000000 2.427431 3.319062 5.088879 5.626585 4.331428 4.891594 5.991446 6.894452 3.149214 7.982398 8.286484 9.255989 1.519769 0.000000 2.352525 3.991438 5.941552 5.986190 4.646636 6.304943 6.804702 6.900328 3.546469 7.872860 8.295013 8.927035 1.459478 2.497437 0.000000 3.043805 4.479857 5.476635 6.251041 4.821814 5.403646 6.027640 7.414936 3.987511 8.623232 9.140312 9.791316 2.557685 1.505145 3.000526 0.000000 3.361271 3.374434 5.416201 5.964445 4.898440 4.857895 6.460604 7.352026 3.641505 8.351656 8.444813 9.728265 2.452013 1.337420 3.571035 2.538042 0.000000 4.681159 4.558124 6.157797 6.931529 5.950146 5.317891 7.066954 8.367910 4.861236 9.389946 9.452143 10.795303 3.901383 2.551169 4.932506 3.151960 1.501356 0.000000 3.410017 5.131887 6.975711 6.960351 5.620699 7.443337 7.737747 7.735825 4.640118 8.674249 9.157618 9.610516 2.660309 3.547701 1.201245 3.763565 4.619792 5.898319 0.000000 5.145372 4.543256 5.645123 6.538811 5.812153 4.513553 6.525721 8.003760 4.951391 8.979246 8.964896 10.417085 4.731957 3.536350 5.980580 4.111481 2.512661 1.539729 7.055350 0.000000 3.972709 2.578372 2.178066 1.083656 2.178210 2.674175 3.508588 2.184323 2.665856 2.767486 2.765131 4.264519 4.997384 5.649342 6.106154 6.499874 5.777998 6.740405 7.133464 6.293434 0.000000 2.436272 3.277538 2.225698 2.245812 1.083235 3.518394 2.694517 2.791068 2.162993 4.056576 5.007484 5.016443 3.903127 4.629378 4.563525 4.859700 5.433157 6.519942 5.378902 6.528686 3.087801 0.000000 4.065488 3.499937 2.161558 3.478853 3.099981 1.095251 2.791079 4.760981 3.322166 5.843279 6.189419 7.144150 4.832739 4.438490 6.141967 4.742866 4.406701 4.664080 7.271618 3.841306 3.661551 3.817198 0.000000 3.914706 2.410243 2.177627 2.737222 2.813646 1.089257 3.487279 4.158269 2.752773 4.991882 4.974238 6.445592 4.599401 4.571544 5.994175 5.367417 4.344590 4.886698 7.170107 4.114030 2.404077 3.842913 1.767997 0.000000 5.163146 4.056801 2.147368 3.079373 3.519761 1.094667 2.771516 4.147337 4.080120 4.955350 5.116320 6.241996 6.069470 5.938450 7.396838 6.418223 5.806887 6.114062 8.534316 5.109875 3.098885 4.349113 1.769435 1.772590 0.000000 5.529684 5.301635 2.156164 3.080429 3.473944 2.814685 1.094703 3.345255 4.735482 4.329602 5.189605 5.150329 6.816243 6.913984 7.840949 6.991823 7.254338 7.750038 8.799926 7.026766 3.836784 3.689454 3.186892 3.807419 2.607691 0.000000 4.633896 5.022700 2.186724 2.813050 2.720315 3.492562 1.090813 2.828111 4.134702 4.047084 5.232544 4.716094 6.051073 6.389061 6.823206 6.347967 7.029450 7.769749 7.639470 7.383472 3.853252 2.426061 3.780521 4.339920 3.792683 1.766211 0.000000 4.551062 4.897744 2.154733 3.505310 3.078923 2.753331 1.094333 4.127364 4.121616 5.368837 6.284554 6.268634 5.762517 5.672233 6.704434 5.484070 6.169978 6.623754 7.623914 6.104299 4.319931 3.097198 2.561606 3.764439 3.075598 1.770301 1.765281 0.000000 4.887807 4.903524 2.899830 2.182530 2.809706 4.339954 2.869177 1.087094 4.181743 2.077279 3.485131 2.633203 6.312178 7.092669 6.976480 7.406827 7.707579 8.718304 7.721919 8.423971 3.112524 2.590880 5.044959 4.791754 4.630003 3.212855 2.243200 3.843997 0.000000 5.810432 4.281080 3.992654 2.709912 4.072307 4.421759 5.029293 2.713235 4.556155 2.185502 1.089419 3.493760 6.751809 7.540638 7.749695 8.487053 7.577005 8.539472 8.690328 8.019603 2.045088 4.780783 5.495346 4.106075 4.460517 5.040448 5.216857 5.999479 3.789033 0.000000 6.711262 5.502673 5.302739 3.850705 5.095535 6.014741 6.150337 3.239111 5.633499 2.149421 1.096277 2.785479 7.677305 8.691816 8.437417 9.615321 8.874558 9.976620 9.215585 9.605231 3.469430 5.533638 7.061705 5.759441 6.103474 6.194005 6.053252 7.183953 4.113165 1.767176 0.000000 7.317172 5.976353 5.031470 3.850839 5.340813 5.576128 5.674908 3.237632 6.106735 2.148972 1.096403 2.787106 8.380597 9.164656 9.321641 9.999357 9.250396 10.159971 10.212292 9.538967 3.532862 5.870184 6.660043 5.490073 5.354689 5.415547 5.725741 6.734600 4.112886 1.767166 1.757216 0.000000 7.343460 6.869184 5.836319 4.536180 5.579675 6.997276 6.119993 3.204510 6.538162 2.156846 2.797908 1.096632 8.560515 9.642354 9.072995 10.249941 10.133107 11.288496 9.674503 11.006762 4.783093 5.540724 7.933540 7.101915 7.099462 6.161314 5.600359 7.169248 3.402085 3.804653 2.602454 3.143379 0.000000 6.950126 6.802395 5.057572 4.088934 4.995541 6.368868 4.937287 2.611691 6.234212 2.170309 3.484149 1.092107 8.319370 9.250464 8.850855 9.626009 9.845792 10.909803 9.471407 10.585966 4.697009 4.768883 7.186635 6.734982 6.443123 4.943423 4.259368 5.941562 2.294750 4.336476 3.789394 3.789604 1.772366 0.000000 7.906521 7.258697 5.596260 4.540751 5.809845 6.628979 5.647581 3.206925 6.955169 2.157508 2.796842 1.096646 9.201880 10.076400 9.905985 10.617243 10.469292 11.456450 10.633570 10.954339 4.832913 5.882448 7.583623 6.889794 6.471463 5.383133 5.250281 6.724794 3.406305 3.805157 3.137782 2.603002 1.757946 1.772669 0.000000 2.080335 2.307834 5.045344 4.976335 3.934380 5.082904 6.256561 6.127076 2.485505 6.975008 7.075431 8.243806 1.091443 2.149944 2.093081 3.480434 2.527635 4.023552 3.189837 4.772799 4.766731 4.344013 5.092712 4.484033 6.121065 7.150506 6.521356 6.312334 6.512100 6.340385 7.257794 8.043167 8.427856 8.398907 9.117802 0.000000 3.567735 5.230758 6.383851 7.049022 5.571638 6.430647 6.897190 8.127380 4.706968 9.320167 9.873997 10.423566 2.885849 2.151789 2.779326 1.094482 3.223462 3.859436 3.215529 5.019649 7.317888 5.474629 5.809785 6.372566 7.463729 7.903240 7.099726 6.365875 8.061520 9.260934 10.270082 10.783245 10.810598 10.216261 11.305470 3.828584 0.000000 3.957040 5.096907 5.869971 6.821764 5.469073 5.574914 6.329294 8.045580 4.710557 9.273239 9.761790 10.475620 3.500742 2.168933 4.049270 1.089291 2.716878 2.763359 4.784579 3.646185 7.050797 5.584329 4.753846 5.590426 6.500719 7.208935 6.770842 5.654760 8.048093 9.064066 10.312947 10.554930 11.006444 10.313925 11.239822 4.305997 1.770888 0.000000 2.679139 4.378588 4.810772 5.644766 4.170369 4.961092 5.180849 6.701230 3.631798 7.962597 8.625582 9.050511 2.749814 2.141970 3.189546 1.094252 3.264927 3.946172 3.943168 4.618919 6.055601 4.050844 4.325222 5.108659 5.967054 6.182982 5.408789 4.613460 6.576909 8.065333 9.143089 9.471790 9.553160 8.800799 9.874525 3.771119 1.757918 1.769219 0.000000 3.496490 2.914881 5.443192 5.757876 4.880640 4.854029 6.669204 7.149084 3.511338 8.017356 7.937702 9.432591 2.580783 2.076483 3.772266 3.492433 1.088272 2.191116 4.847951 2.872214 5.389929 5.544304 4.625019 4.131525 5.766010 7.409578 7.244282 6.546395 7.638559 7.018940 8.294071 8.742759 9.769108 9.662713 10.157792 2.180859 4.113670 3.789421 4.114152 0.000000 5.481471 5.211798 7.111796 7.780447 6.853924 6.227334 8.096514 9.225890 5.662737 10.181149 10.130404 11.611048 4.510175 3.281323 5.421751 3.978676 2.124819 1.096766 6.302772 2.161019 7.486198 7.455161 5.644153 5.681208 6.985313 8.759956 8.801997 7.693638 9.637148 9.175742 10.593152 10.838176 12.051592 11.783161 12.272919 4.458353 4.497527 3.615879 4.881724 2.481079 0.000000 4.974067 5.268830 6.531278 7.440112 6.332009 5.783573 7.248639 8.832683 5.354846 9.940898 10.140455 11.293375 4.234203 2.732982 5.077164 2.774321 2.155662 1.092361 5.932478 2.168179 7.388778 6.761234 4.984593 5.531356 6.585260 7.969138 7.909013 6.661949 9.062861 9.280659 10.697654 10.858100 11.822707 11.310518 11.974018 4.596905 3.395160 2.078479 3.613219 3.088530 1.752560 0.000000 4.405513 6.157828 7.927531 7.870528 6.542364 8.463795 8.616545 8.542632 5.641652 9.448030 9.973296 10.287735 3.722985 4.542851 2.263968 4.602148 5.602229 6.820043 1.062748 8.039677 8.078309 6.201925 8.287869 8.215294 9.552373 9.691148 8.435681 8.495173 8.463891 9.565904 9.967526 11.043524 10.287084 10.101355 11.338014 4.207065 3.886824 5.577310 4.768709 5.842543 7.165294 6.782907 0.000000 4.727544 4.268210 4.801359 5.853440 5.117443 3.685903 5.546896 7.284442 4.479219 8.326025 8.442201 9.722059 4.611594 3.475471 5.899451 3.844640 2.793782 2.180663 7.002154 1.093384 5.744119 5.795123 2.878426 3.504300 4.283805 6.036898 6.426348 5.065050 7.629172 7.559986 9.158502 8.994341 10.379669 9.824408 10.240646 4.808646 4.867516 3.392061 4.107520 3.271997 3.074034 2.522327 8.004436 0.000000 6.199179 5.616538 6.516878 7.490742 6.811336 5.296716 7.284901 8.946030 6.021054 9.916019 9.881171 11.350456 5.763569 4.481917 6.952712 4.871546 3.464134 2.185821 7.982919 1.093552 7.248634 7.514871 4.557596 4.972863 5.750580 7.702248 8.189122 6.785836 9.354256 8.926933 10.557710 10.392149 11.978505 11.516066 11.838213 5.825010 5.723985 4.216937 5.411522 3.851753 2.491146 2.513794 8.934289 1.773018 0.000000 5.234345 4.164195 5.544138 6.253191 5.725304 4.330236 6.601196 7.729713 4.814511 8.582791 8.399376 10.061364 4.842622 3.905733 6.177359 4.780431 2.753665 2.185317 7.298910 1.093717 5.838701 6.568390 3.898663 3.710921 4.860702 7.033985 7.481238 6.350769 8.278720 7.399389 9.003655 8.941084 10.609782 10.338808 10.561621 4.647834 5.685423 4.502675 5.249977 2.679370 2.530018 3.081328 8.312338 1.763786 1.770483 0.000000 C18H26O2 C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 248.19139999999987 AuxInfo=1/0/N:3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;1;2;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/rA:46nO0O0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0C0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0H0/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rC:-1.0002,1.3003,.2885;-.2662,-.0118,-1.4071;1.5263,-1.173,.9167;2.3479,-.3168,-.0209;1.0595,.2483,.5778;.7952,-2.368,.3327;1.9929,-1.3993,2.3435;3.6519,.2765,.3451;-.1037,.4724,-.3092;4.735,.3904,-.4372;4.8203,-.0833,-1.8654;5.9994,1.0299,.0802;-2.2767,1.4855,-.4111;-3.2341,.3883,.0239;-2.7416,2.8335,-.1001;-3.6765,.4479,1.4613;-3.5515,-.5594,-.8649;-4.3983,-1.78,-.6482;-3.1618,3.9334,.138;-3.5497,-3.0646,-.6718;2.2231,-.5886,-1.0624;1.1541,.9723,1.378;-.0891,-2.6091,.9322;.4708,-2.1924,-.6922;1.4552,-3.2413,.3436;2.7238,-2.2136,2.377;2.4572,-.5155,2.783;1.1453,-1.6809,2.9758;3.7265,.6637,1.3582;3.9015,-.5415,-2.2298;5.0661,.7535,-2.5297;5.6285,-.8161,-1.9747;6.273,1.8997,-.5291;5.9002,1.3585,1.1169;6.8421,.3305,.0223;-2.0861,1.4053,-1.4827;-4.3028,1.328,1.638;-4.2357,-.4373,1.7616;-2.8054,.5414,2.1169;-3.1072,-.4853,-1.8556;-5.1488,-1.8344,-1.4461;-4.9519,-1.7205,.2916;-3.5247,4.9103,.3462;-2.8201,-3.0604,.1425;-4.1782,-3.9532,-.566;-2.9946,-3.1511,-1.6103; 0.5026710 0.1640593 0.1429654 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= 1014 RedAO= T EigKep= 1.11D-06 NBF= 1014 NBsUse= 1013 1.00D-06 EigRej= 1.77D-07 NBFU= 1013 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= 1106 1101 1101 1101 1106 MxSgAt= 46 MxSgA2= 46. 1 Closed 1 1 1 -852.204210762032 -852.254151192918 -0.049940430887 -852.254166280009 -0.000015087091 -852.254327455518 -0.000161175509 -852.254356973078 -0.000029517560 -852.254363839578 -0.000006866500 -852.254364347898 -0.000000508320 -852.254364385389 -0.000000037491 -852.254364387720 -0.000000002331 -852.254364388179 -0.000000000458 -852.254364388442 -0.000000000263 -852.254364388385 0.000000000057 -852.254364388 12 8.480821391254e+02 -5.061357704290e+03 1.820915540555e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1415577600 LenX= 1412985838 LenY= 1411698748 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. PT24929S 2024-10-10T05:23:32.000 -19.16769 -19.10867 -10.29972 -10.25699 -10.20179 -10.18839 -10.18547 -10.18423 -10.18103 -10.17925 -10.17375 -10.17363 -10.17213 -10.16725 -10.16583 -10.16419 -10.16382 -10.16377 -10.16227 -10.15962 -1.10294 -1.01914 -0.88639 -0.83585 -0.81093 -0.79042 -0.75405 -0.74450 -0.72179 -0.70085 -0.69496 -0.69312 -0.68801 -0.64397 -0.61873 -0.57159 -0.55089 -0.54478 -0.54001 -0.53099 -0.50084 -0.49746 -0.49185 -0.47358 -0.46870 -0.45526 -0.44953 -0.44017 -0.43657 -0.43133 -0.42504 -0.41279 -0.41224 -0.40289 -0.39682 -0.38923 -0.38782 -0.38468 -0.38047 -0.37884 -0.37567 -0.37068 -0.36622 -0.35738 -0.35173 -0.34142 -0.33330 -0.32358 -0.31142 -0.29775 -0.29005 -0.28261 -0.27527 -0.25183 -0.23021 -0.01481 -0.01125 -0.00340 0.00429 0.01136 0.01292 0.01356 0.01798 0.01964 0.02471 0.02724 0.03305 0.03432 0.03907 0.03966 0.04311 0.04626 0.05124 0.05157 0.05531 0.05688 0.06432 0.06532 0.06799 0.07327 0.07555 0.07897 0.08217 0.08355 0.08692 0.09247 0.09370 0.09660 0.09993 0.10534 0.10730 0.11326 0.11497 0.11614 0.11851 0.12335 0.12551 0.12976 0.13306 0.13504 0.13714 0.14404 0.14510 0.14731 0.15043 0.15345 0.15616 0.15836 0.16292 0.16413 0.16438 0.16953 0.17264 0.17809 0.18027 0.18202 0.18558 0.18799 0.19015 0.19286 0.19551 0.19835 0.20073 0.20325 0.20548 0.20888 0.21178 0.21284 0.21743 0.22096 0.22263 0.22397 0.22571 0.22762 0.22923 0.23131 0.23482 0.23772 0.23981 0.24275 0.24404 0.25071 0.25094 0.25393 0.25764 0.25937 0.26443 0.26637 0.26861 0.27112 0.27304 0.27511 0.27697 0.28020 0.28337 0.28745 0.29043 0.29353 0.29519 0.29879 0.30239 0.30347 0.31211 0.31818 0.32255 0.33017 0.33294 0.33499 0.33773 0.33877 0.34275 0.34734 0.34887 0.35459 0.35924 0.36049 0.36624 0.36845 0.37456 0.38139 0.38225 0.38462 0.38864 0.38926 0.39154 0.39662 0.39904 0.40393 0.40572 0.41180 0.41812 0.41908 0.42358 0.42630 0.42889 0.43250 0.43599 0.44370 0.44549 0.44924 0.45329 0.45722 0.45745 0.46155 0.46663 0.46926 0.47082 0.47400 0.47799 0.48531 0.48848 0.49602 0.50065 0.51081 0.51363 0.51977 0.52234 0.52810 0.52925 0.53320 0.53767 0.54014 0.54271 0.54604 0.55346 0.55587 0.56075 0.56239 0.56268 0.56634 0.57100 0.57471 0.57667 0.58082 0.58392 0.58484 0.58758 0.58850 0.59648 0.59974 0.60404 0.60938 0.61236 0.61351 0.61847 0.61978 0.62182 0.62775 0.63136 0.63312 0.63705 0.63931 0.64448 0.64586 0.64910 0.65173 0.65522 0.65706 0.66103 0.66527 0.66974 0.67229 0.67694 0.68188 0.68520 0.68663 0.69226 0.69510 0.70011 0.70594 0.71053 0.71322 0.71492 0.71723 0.72129 0.72394 0.72996 0.73372 0.73751 0.74682 0.75033 0.75693 0.76122 0.76285 0.76759 0.77025 0.77485 0.77824 0.78936 0.79422 0.80271 0.80668 0.81238 0.81600 0.82676 0.83153 0.83661 0.84924 0.85324 0.85784 0.86241 0.86341 0.86573 0.86979 0.87314 0.87708 0.88203 0.89160 0.89726 0.89912 0.90550 0.90703 0.91271 0.92784 0.92979 0.93759 0.94461 0.94848 0.95453 0.95868 0.96372 0.97417 0.97829 0.97946 0.98528 0.99310 0.99712 1.00884 1.01176 1.02128 1.02377 1.03065 1.04253 1.04547 1.04975 1.05504 1.06281 1.06460 1.07044 1.07666 1.08311 1.08437 1.09019 1.09924 1.10371 1.10685 1.11151 1.11743 1.12238 1.12469 1.12951 1.13521 1.13701 1.13800 1.14411 1.14703 1.14930 1.15402 1.15792 1.16108 1.16371 1.16864 1.17586 1.18636 1.18740 1.19171 1.19319 1.20059 1.20568 1.21180 1.22211 1.22356 1.22683 1.23211 1.23582 1.23847 1.24928 1.25243 1.25591 1.25807 1.26431 1.26663 1.26791 1.27390 1.28245 1.28886 1.29085 1.29324 1.30234 1.30610 1.31158 1.31325 1.31730 1.32019 1.32813 1.32931 1.33483 1.34674 1.35003 1.35523 1.35798 1.36172 1.36635 1.36981 1.37469 1.37826 1.38215 1.39378 1.39564 1.39881 1.40459 1.41067 1.41327 1.42361 1.42633 1.43078 1.43246 1.44024 1.44533 1.44659 1.45271 1.45803 1.46273 1.46723 1.47239 1.47354 1.47682 1.48123 1.48715 1.49819 1.50491 1.51250 1.51541 1.52759 1.53538 1.54363 1.54702 1.55199 1.55278 1.55636 1.56082 1.57267 1.57683 1.58208 1.58429 1.59177 1.59561 1.60430 1.60667 1.61272 1.62013 1.62634 1.62883 1.63101 1.64441 1.64879 1.65678 1.66667 1.67464 1.67887 1.68153 1.69315 1.70065 1.70926 1.71743 1.73588 1.73855 1.74949 1.75258 1.76142 1.77150 1.77883 1.79337 1.79911 1.80766 1.81502 1.82720 1.83849 1.84938 1.85605 1.86218 1.86718 1.86932 1.87771 1.89743 1.90462 1.91159 1.91842 1.92696 1.92817 1.94419 1.94800 1.95450 1.95632 1.97014 1.97069 1.97716 1.98711 1.99973 2.01025 2.02627 2.02726 2.03202 2.03817 2.04862 2.05542 2.06863 2.07911 2.08139 2.08735 2.09443 2.10138 2.10534 2.13191 2.13773 2.14718 2.15772 2.16279 2.16960 2.18050 2.18387 2.19280 2.20295 2.20848 2.22024 2.22873 2.25056 2.26054 2.26644 2.28291 2.28532 2.30116 2.30620 2.31187 2.32989 2.34346 2.35255 2.36854 2.38197 2.39116 2.40689 2.40855 2.42123 2.42400 2.44045 2.46848 2.47870 2.48792 2.51755 2.54653 2.55512 2.57217 2.58317 2.59763 2.60656 2.63111 2.65102 2.66470 2.67143 2.67991 2.69685 2.70134 2.71247 2.72921 2.76456 2.77349 2.78192 2.79102 2.80503 2.80847 2.81373 2.81543 2.81862 2.82144 2.82975 2.84253 2.84298 2.85091 2.86633 2.87061 2.88268 2.88481 2.89421 2.90375 2.90991 2.91244 2.91775 2.92772 2.93871 2.94347 2.95812 2.96128 2.96420 2.96619 2.97392 2.98150 2.98525 2.99104 2.99674 3.00511 3.00798 3.01018 3.02008 3.02408 3.02893 3.03453 3.04378 3.05612 3.06221 3.06733 3.07248 3.07838 3.08156 3.08854 3.09562 3.09802 3.11419 3.12227 3.12522 3.12968 3.14174 3.15118 3.15814 3.16569 3.16838 3.17853 3.18405 3.18792 3.19411 3.19819 3.20799 3.21215 3.22368 3.23109 3.23368 3.24612 3.24915 3.25318 3.25712 3.26325 3.26546 3.27056 3.27638 3.27658 3.29188 3.29783 3.30217 3.30609 3.31305 3.31669 3.32848 3.33773 3.34410 3.34840 3.35037 3.35951 3.36565 3.37230 3.37676 3.38604 3.39755 3.40159 3.41362 3.41974 3.42739 3.43472 3.44737 3.47297 3.49402 3.49741 3.50610 3.51835 3.53674 3.54257 3.55271 3.56803 3.57661 3.58586 3.59930 3.60926 3.62510 3.62962 3.63498 3.64820 3.64880 3.65594 3.67860 3.68639 3.69086 3.69584 3.70134 3.71294 3.71803 3.72104 3.73878 3.75543 3.76412 3.76872 3.77588 3.79524 3.80638 3.81682 3.82441 3.82795 3.84416 3.85839 3.86095 3.86343 3.87086 3.89821 3.90254 3.91113 3.92302 3.92924 3.94439 3.95006 3.95577 3.97078 3.98191 3.99329 4.00152 4.00736 4.02231 4.02629 4.04979 4.05528 4.07362 4.07927 4.08857 4.09800 4.14170 4.15042 4.15958 4.18699 4.19765 4.21300 4.22393 4.23802 4.25128 4.26911 4.27962 4.28602 4.29732 4.30323 4.31976 4.32868 4.33467 4.34284 4.34653 4.35275 4.35520 4.35883 4.36309 4.36755 4.36984 4.37490 4.37998 4.38529 4.38952 4.39402 4.40811 4.41639 4.42134 4.42567 4.43231 4.43500 4.44114 4.45318 4.46028 4.46793 4.47034 4.48566 4.49627 4.50273 4.50960 4.51766 4.52303 4.53988 4.54841 4.55459 4.55954 4.56875 4.57518 4.57807 4.59486 4.59796 4.60325 4.61673 4.62537 4.63230 4.64437 4.65137 4.65935 4.67424 4.67942 4.68023 4.68554 4.69878 4.70563 4.72145 4.73858 4.75243 4.77406 4.78154 4.79052 4.79422 4.80872 4.81263 4.84677 4.86019 4.88506 4.89202 4.91588 4.94926 4.98422 5.02509 5.08704 5.11070 5.12776 5.16707 5.19140 5.23962 5.30156 5.31512 5.33518 5.35008 5.41797 5.43768 5.45542 5.46468 5.50147 5.51216 5.53122 5.54061 5.55217 5.61329 5.61503 5.64507 5.66254 5.68894 5.71549 5.72301 5.74237 5.75007 5.75800 5.77559 5.77991 5.78957 5.79328 5.80543 5.81312 5.81658 5.81854 5.82537 5.84281 5.85551 5.85830 5.87379 5.88410 5.90019 5.91401 5.98792 6.02261 6.08464 6.12310 6.14010 6.17723 6.33994 6.37892 6.47977 6.62271 6.95922 7.01458 7.02798 7.07033 7.13468 7.14805 7.15194 7.16028 7.18342 7.18873 7.22597 7.22855 7.23035 7.25190 7.27226 7.28461 7.29706 7.30107 7.30625 7.32803 7.34845 7.35794 7.36228 7.38500 7.40431 7.40744 7.41638 7.42403 7.43508 7.44658 7.45389 7.46383 7.48192 7.48977 7.50048 7.51187 7.52907 7.56914 7.58088 7.60173 7.61206 7.64170 7.66761 7.67932 7.71150 7.71763 7.73707 7.73969 7.75722 7.76871 7.77988 7.80148 7.82714 7.83808 7.85952 7.92642 7.94558 7.96720 7.97931 7.99443 8.02229 8.04822 8.05537 8.06517 8.09238 8.09557 8.10192 8.10715 8.11739 8.12801 8.14781 8.15963 8.16701 8.19408 8.23578 8.27986 8.29247 8.32335 8.41121 8.41885 8.45074 8.48763 8.54286 8.59077 8.60481 8.62691 8.67381 8.71226 8.73846 8.75644 8.84563 9.04169 14.45711 14.46849 14.48580 14.51675 14.61800 14.71941 14.82366 14.98116 15.10371 15.24053 24.00878 24.24058 24.25408 24.33032 24.38078 24.43853 24.44553 24.48507 24.52392 24.54458 24.58715 24.67222 24.70803 24.76131 25.17072 25.73838 25.75185 27.04677 50.26051 50.52769 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 44 45 46 O O 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 H H H H H H H -0.444826 -0.718070 0.321402 0.266113 -0.209315 -0.544506 -0.454987 -0.549932 0.366186 0.425396 -0.515189 -0.557637 0.172650 0.435565 -0.052369 -0.671065 -0.285949 -0.221735 -0.099530 -0.581575 0.139681 0.119448 0.145456 0.174613 0.136475 0.142470 0.144725 0.143154 0.125251 0.153952 0.152409 0.153428 0.155720 0.126306 0.156316 0.181044 0.163143 0.132925 0.161737 0.137680 0.143713 0.127930 0.231392 0.164077 0.142771 0.163557 -0.00000 0.2064 -0.6725 1.3294 1.5040 -113.7855 -119.8719 -124.4617 0.4147 -1.2860 0.7006 5.5875 -0.4989 -5.0887 0.4147 -1.2860 0.7006 12.9685 33.3783 -0.8501 -28.3611 2.6846 -6.5120 3.6513 -2.3276 3.9172 -4.8201 -7994.4346 -2011.5374 -980.5654 47.0351 -84.0508 -170.2579 39.1861 10.4580 4.8446 -1612.2882 -1496.1697 -545.1828 34.8216 -27.2196 25.3113 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-HAMILTON28 APULGAR 2024-10-10T00:00:00.000 0 Single Point Empenthrin_EZ CONF50 gas 0 1 Version=EM64L-G16RevC.01 State=1-A HF=-852.2543644 RMSD=2.371e-09 Dipole=0.1000842,0.2973115,-0.5017359 Quadrupole=4.0884994,-0.4023594,-3.68614,-0.6646589,0.977855,0.7098748 PG=C01 [X(C18H26O2)] 0 -1.036625044 -1.1555398235 -0.3898939895 0 -0.2304804696 -0.0221997189 1.3992886817 0 1.6422235424 1.1949553393 -0.8308167673 0 2.4042868509 0.2213580854 0.0401949349 0 1.0859953421 -0.2157514941 -0.5992637124 0 0.9842145268 2.3863510632 -0.1590602239 0 2.1288763442 1.4975687509 -2.2365261983 0 3.6705054548 -0.4233114587 -0.3689654753 0 -0.0931612632 -0.4322218186 0.26827413 0 4.7405098753 -0.6628402644 0.4027958262 0 4.8483376194 -0.303421677 1.8624924013 0 5.9651372634 -1.3397550557 -0.1607853137 0 -2.3255786663 -1.31218702 0.2936804201 0 -3.2105926147 -0.1278274334 -0.0580891481 0 -2.8721714261 -2.6015192624 -0.1173372083 0 -3.6488715132 -0.0521818242 -1.4960217136 0 -3.4725526589 0.7687439743 0.8991087464 0 -4.2405030357 2.0527705786 0.7742198847 0 -3.3589550715 -3.6520894561 -0.4372325112 0 -3.313566187 3.2763654651 0.8940869654 0 2.2915571905 0.4219214755 1.0991456054 0 1.139171991 -0.8824412301 -1.4513759571 0 0.1195550815 2.7264171881 -0.7389679084 0 0.6445342535 2.1553316048 0.8497646364 0 1.6974103322 3.215006276 -0.1044974601 0 2.9092583848 2.2647810872 -2.2089091477 0 2.5392352064 0.6217581486 -2.7409414092 0 1.3035469629 1.8780316964 -2.8461529378 0 3.7256432408 -0.7376743821 -1.4081524082 0 3.9581684891 0.1827995126 2.2600122878 0 5.0382385089 -1.2011951093 2.4622958699 0 5.7001035035 0.3671799484 2.026470452 0 6.1809481725 -2.2680438971 0.3817157123 0 5.8505791471 -1.583156067 -1.2192417271 0 6.8495057934 -0.7007111327 -0.050571145 0 -2.1355866239 -1.3243960644 1.3683908719 0 -4.3279396643 -0.8756828843 -1.7381018363 0 -4.150368045 0.8862577965 -1.7292333715 0 -2.7821215958 -0.1507369776 -2.1566416193 0 -3.0385289894 0.5932890461 1.8815419188 0 -4.990009054 2.0942247966 1.5738557563 0 -4.7921763882 2.0983380649 -0.167498151 0 -3.781039529 -4.586153483 -0.7179501617 0 -2.5817284189 3.2874112017 0.0818185901 0 -3.8849299896 4.2079625304 0.8550230872 0 -2.7587478577 3.257629605 1.8364465484