Gaussian 16 GINC-NODO01 NSF coments ES64L-G16RevC.02 24-Jul-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 37 37 63 64 338 (5D, 7F) def2SVP 105 105 C1[X(C12H20BN2O2)] C1[X(C12H20BN2O2)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 214.95159999999993 0 2 AuxInfo=1/0/N:17,2,4,11,1,5,24,25,14,26,29,3,7,36,10,16,37/E:(2,3)(5,6)(7,8)(10,11)/CRV:2.3,3.3,5.3,6.3,9.3,12.3,13.4/rA:37nC3C3C3C3C3HB4HHNCHHC3HOCHHHHHHCCCHHCHHHHHHNO/rB:s1;s2;s3;s4;s4;;s7;s7;s1s5s7;s7;s11;s11;s11;s14;s14;s16;s17;s17;s17;s2;s1;s5;;;s24;s24;s24;s25;s25;s25;s26;s26;s29;s29;s3s24s25;s26s29;/rC:-.3994,-.7272,1.2183;.9083,-.3013,1.0594;1.5575,-.4831,-.166;.8324,-1.1213,-1.1765;-.4738,-1.5188,-.9465;1.2799,-1.3009,-2.1556;-2.661,-1.5882,.3769;-2.8941,-2.6413,-.2094;-2.8758,-1.6556,1.5844;-1.0802,-1.3198,.2291;-3.4101,-.2972,-.3279;-3.3116,-.3444,-1.428;-4.4856,-.3911,-.1024;-2.9248,1.0254,.1302;-3.0706,1.3483,1.1739;-1.7505,1.4385,-.4423;-1.191,2.5989,.0927;-.2749,2.8234,-.4709;-1.8797,3.4594,.0148;-.9234,2.4661,1.16;1.4097,.1828,1.899;-.9517,-.5921,2.1488;-1.0816,-2.0024,-1.7128;3.8646,-.3542,.7788;3.5323,-.5683,-1.691;5.307,.0498,.5511;3.8098,-1.4622,.9454;3.4767,.1451,1.7045;4.9745,-.1637,-1.9191;3.4611,-1.687,-1.648;2.9046,-.2235,-2.5533;5.9346,-.2965,1.4129;5.3787,1.1685,.51;5.3625,-.6633,-2.8444;5.0284,.9443,-2.0865;2.9934,.0206,-.4028;5.8462,-.5369,-.7374; /usr/local/CompChem/Gaussian/g16/g16 Output=50_OMe_p.log chk=50_OMe_p.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 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=43,7=101,11=2,24=110,25=1,30=1,71=1,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 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=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 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 coments 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 12 12 12 12 12 1 11 1 1 14 12 1 1 12 1 16 12 1 1 1 1 1 1 12 12 12 1 1 12 1 1 1 1 1 1 14 16 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 11.0093053 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 15.9949146 0 0 0 0 0 1 3 1 1 2 0 1 1 0 1 0 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 2 0 -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/CompChem/Gaussian/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 1 1 1 2 2 3 3 4 4 5 5 7 7 7 7 11 11 11 14 14 16 17 17 17 24 24 24 24 25 25 25 25 26 26 26 29 29 29 2 10 22 3 21 4 36 5 6 10 23 8 9 10 11 12 13 14 15 16 17 18 19 20 26 27 28 36 29 30 31 36 32 33 37 34 35 37 1.3844 1.3391 1.0904 1.3986 1.0913 1.3979 1.54 1.3847 1.0914 1.3377 1.0911 1.2277 1.2283 1.6101 1.6506 1.1055 1.1029 1.4815 1.1021 1.3702 1.3949 1.0987 1.105 1.1083 1.5151 1.1218 1.121 1.5152 1.5151 1.1218 1.1209 1.5154 1.1209 1.1218 1.515 1.121 1.1218 1.5151 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 10 1 1 3 2 2 4 3 3 5 4 4 10 8 8 8 9 9 10 1 1 5 7 7 7 12 12 13 11 11 15 14 16 16 16 18 18 19 26 26 26 27 27 28 29 29 29 30 30 31 24 24 24 32 32 33 25 25 25 34 34 35 3 3 24 26 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 7 7 7 10 10 10 11 11 11 11 11 11 14 14 14 16 17 17 17 17 17 17 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 29 29 29 29 29 29 36 36 36 37 10 22 22 3 21 21 4 36 36 5 6 6 10 23 23 9 10 11 10 11 11 5 7 7 12 13 14 13 14 14 15 16 16 17 18 19 20 19 20 20 27 28 36 28 36 36 30 31 36 31 36 36 32 33 37 33 37 37 34 35 37 35 37 37 24 25 25 29 122.1122 122.5648 115.3175 119.9365 118.8282 121.2321 116.8683 121.672 121.4483 120.0193 120.7314 119.2448 122.0671 122.419 115.5093 112.9002 106.5908 112.3839 105.7331 112.5394 106.0232 118.9843 120.3351 120.0607 110.553 106.7804 114.6772 106.6632 108.4614 109.403 120.7321 114.8779 114.8837 115.7386 107.9183 111.766 111.5072 108.9294 108.4845 108.1591 109.3968 109.5595 111.3625 107.4839 109.3908 109.5638 109.4233 109.5746 111.2657 107.5 109.4111 109.5868 109.5772 109.4042 111.3094 107.4863 109.5749 109.4074 109.5589 109.3871 111.3744 107.4801 109.5649 109.3914 109.59 109.586 111.2413 111.2962 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 10 10 22 22 2 2 22 22 1 1 21 21 2 2 36 36 2 2 4 4 3 3 6 6 4 4 23 23 8 8 9 9 11 11 8 8 8 9 9 9 10 10 10 7 7 12 12 13 13 11 15 14 14 14 27 27 27 28 28 28 36 36 36 26 26 27 27 28 28 30 30 30 31 31 31 36 36 36 29 29 30 30 31 31 24 32 33 25 34 35 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 14 14 16 16 16 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 26 26 26 29 29 29 2 2 2 2 10 10 10 10 3 3 3 3 4 4 4 4 36 36 36 36 5 5 5 5 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 16 16 17 17 17 26 26 26 26 26 26 26 26 26 36 36 36 36 36 36 29 29 29 29 29 29 29 29 29 36 36 36 36 36 36 37 37 37 37 37 37 3 21 3 21 5 7 5 7 4 36 4 36 5 6 5 6 24 25 24 25 10 23 10 23 1 7 1 7 1 5 1 5 1 5 12 13 14 12 13 14 12 13 14 15 16 15 16 15 16 17 17 18 19 20 32 33 37 32 33 37 32 33 37 3 25 3 25 3 25 34 35 37 34 35 37 34 35 37 3 24 3 24 3 24 29 29 29 26 26 26 0.1529 179.5092 -178.9532 0.4031 0.6591 -170.3216 179.8257 8.845 -1.0388 177.7527 179.6208 -1.5877 1.148 -179.6327 -177.6464 1.5729 45.6723 168.0027 -135.5913 -13.2609 -0.381 178.8003 -179.6119 -0.4306 -0.5444 170.4616 -179.7787 -8.7727 -145.8779 43.2387 -25.4956 163.6209 94.1898 -76.6937 -43.4429 72.21 -166.4303 -172.2397 -56.5867 64.7729 72.6328 -171.7143 -50.3546 -65.1256 79.4896 170.7694 -44.6154 54.7872 -160.5976 -172.3859 -25.6626 -178.7433 -58.9932 62.2074 -55.5104 -173.1163 65.8497 62.0781 -55.5279 -176.5618 -176.5529 65.8411 -55.1928 176.5953 55.2571 55.5492 -65.7889 -62.0382 176.6237 55.5927 173.1705 -65.785 -62.0395 55.5383 176.5828 176.6158 -65.8064 55.2381 -176.5771 -55.2366 -55.5468 65.7936 62.0853 -176.5742 55.0823 176.4437 -65.9498 -55.1527 -176.5268 65.8893 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 355 A 338 A 565 355 1220.6347358211 37 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 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 Berny optimization. local minimum Step number 17 out of a maximum of 206 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00165 0.00178 0.00238 0.00330 0.00534 0.00703 0.01090 0.01186 0.01594 0.01754 0.01952 0.02096 0.02152 0.02177 0.02303 0.02385 0.02393 0.02427 0.02590 0.02772 0.02915 0.04094 0.04225 0.04865 0.04896 0.05093 0.05204 0.05603 0.05609 0.05780 0.06348 0.06381 0.08655 0.09088 0.09124 0.09417 0.09574 0.09746 0.10153 0.10543 0.10878 0.11468 0.11639 0.11978 0.13060 0.13598 0.14702 0.15922 0.15997 0.16000 0.16007 0.16032 0.16049 0.16203 0.17092 0.17489 0.20672 0.21799 0.21993 0.22282 0.22390 0.22709 0.22739 0.22921 0.23026 0.23277 0.23540 0.24651 0.24993 0.28508 0.29260 0.29836 0.30262 0.30923 0.31245 0.31372 0.31380 0.31406 0.31460 0.31481 0.32122 0.32256 0.32782 0.33086 0.33140 0.33335 0.33412 0.33801 0.33844 0.34506 0.34609 0.34692 0.34765 0.35383 0.39728 0.40869 0.42901 0.46211 0.46479 0.48282 0.49294 0.51182 0.55120 0.55330 0.57566 -2.00043712e-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 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 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 2.60759 2.52804 2.06123 2.67194 2.05400 2.67557 2.59318 2.60321 2.05394 2.53062 2.06206 2.32278 2.32399 3.03902 3.11727 2.08950 2.08460 2.80080 2.08353 2.59061 2.63414 2.07678 2.08879 2.09460 2.87681 2.09288 2.07274 2.75370 2.87632 2.09271 2.07208 2.75459 2.07590 2.09562 2.64361 2.07584 2.09547 2.64427 2.15022 2.12042 2.01255 2.09890 2.05121 2.13307 2.01186 2.13626 2.13507 2.09913 2.13200 2.05197 2.15046 2.11806 2.01466 1.96589 1.86102 1.96064 1.84387 1.96137 1.86077 2.05438 2.11408 2.10497 1.93203 1.86847 1.99636 1.86055 1.89276 1.90883 2.10243 2.00425 2.00221 2.01930 1.88355 1.95119 1.94663 1.90095 1.89358 1.88678 1.91712 1.87420 1.94378 1.88229 1.92635 1.91838 1.91632 1.87481 1.94373 1.88231 1.92486 1.92017 1.91099 1.90702 1.95353 1.88796 1.87995 1.92312 1.91112 1.90751 1.95278 1.88806 1.87985 1.92326 2.09363 2.09593 1.99896 1.92390 0.02163 -3.12513 -3.11670 0.01973 0.01248 -2.98041 -3.13220 0.15810 -0.05366 3.08762 3.09335 -0.04856 0.05495 -3.10066 -3.08633 0.04125 0.21992 2.88318 -2.92201 -0.25876 -0.02433 3.11403 3.13065 -0.01418 -0.01110 2.98260 3.13356 -0.15593 -2.52696 0.76762 -0.43165 2.86293 1.65832 -1.33028 -0.77264 1.24863 -2.91700 -3.01113 -0.98986 1.12769 1.25984 -3.00207 -0.88452 -1.12634 1.38303 2.99136 -0.78245 0.96883 -2.80498 -3.00581 -0.45951 -3.12395 -1.03386 1.08094 -0.86019 -2.92500 1.22317 1.18230 -0.88250 -3.01752 -2.99979 1.21860 -0.91642 -2.81504 0.77970 1.33387 -1.35457 -0.74016 2.85459 0.86359 2.92889 -1.21926 -1.17884 0.88645 3.02149 3.00070 -1.21720 0.91784 2.81473 -0.78066 -1.33628 1.35151 0.73796 -2.85743 1.06993 -3.11171 -1.05587 -1.07057 3.11143 1.05545 -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 -0.00001 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 -0.00001 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 0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00001 0.00000 -0.00000 -0.00000 0.00001 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00002 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00002 0.00002 -0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00001 -0.00003 -0.00001 -0.00003 0.00001 0.00001 0.00001 0.00002 -0.00001 0.00001 -0.00001 0.00000 0.00012 0.00011 0.00012 0.00011 0.00000 0.00001 -0.00001 -0.00000 0.00000 0.00003 -0.00000 0.00002 0.00000 -0.00002 0.00000 -0.00002 0.00000 -0.00002 -0.00002 -0.00002 -0.00003 -0.00002 -0.00002 -0.00002 -0.00003 -0.00003 -0.00003 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00001 0.00001 0.00002 0.00002 0.00002 0.00002 0.00003 0.00002 0.00002 0.00002 0.00002 -0.00007 -0.00005 -0.00008 -0.00006 -0.00007 -0.00005 -0.00004 -0.00005 -0.00005 -0.00004 -0.00005 -0.00005 -0.00002 -0.00004 -0.00003 0.00007 0.00006 0.00009 0.00007 0.00008 0.00007 0.00001 0.00001 0.00001 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 0.00002 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00002 -0.00000 0.00000 -0.00000 -0.00001 0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00002 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00001 0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00002 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 -0.00001 -0.00002 -0.00002 0.00001 -0.00000 0.00001 0.00002 -0.00001 0.00001 -0.00001 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00002 -0.00002 -0.00001 0.00000 0.00001 0.00000 -0.00002 0.00004 0.00001 0.00002 -0.00000 0.00002 0.00001 0.00001 0.00002 0.00000 0.00001 -0.00003 -0.00004 -0.00002 -0.00002 0.00003 0.00004 0.00003 0.00004 -0.00011 -0.00005 -0.00012 -0.00006 -0.00000 -0.00000 -0.00001 -0.00001 -0.00002 -0.00002 -0.00002 -0.00002 0.00006 0.00006 0.00006 0.00006 0.00005 0.00006 0.00002 0.00003 0.00003 0.00004 0.00005 0.00005 0.00004 0.00005 0.00004 -0.00003 -0.00005 -0.00003 -0.00005 -0.00003 -0.00005 -0.00002 -0.00004 0.00002 0.00002 0.00002 0.00006 0.00007 0.00006 0.00008 0.00009 0.00009 0.00005 0.00006 0.00006 -0.00003 -0.00007 -0.00005 -0.00010 -0.00005 -0.00009 -0.00002 -0.00003 -0.00001 -0.00003 -0.00003 -0.00002 -0.00002 -0.00002 -0.00001 -0.00000 0.00005 -0.00002 0.00002 -0.00001 0.00004 0.00001 0.00002 0.00002 -0.00003 -0.00002 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00002 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 0.00001 0.00001 0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00001 0.00001 -0.00003 0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00001 -0.00001 -0.00001 0.00000 0.00000 0.00001 -0.00001 0.00000 0.00001 0.00001 -0.00002 0.00001 0.00000 -0.00002 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 0.00003 -0.00000 0.00000 0.00001 -0.00001 -0.00003 -0.00002 0.00001 0.00000 0.00001 0.00003 -0.00003 0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00001 -0.00001 0.00002 -0.00001 -0.00002 0.00001 0.00001 -0.00001 -0.00004 0.00006 0.00001 0.00002 -0.00001 0.00003 0.00001 0.00001 -0.00001 -0.00001 -0.00003 -0.00003 -0.00003 -0.00000 -0.00000 0.00002 0.00005 0.00002 0.00005 0.00000 0.00005 0.00000 0.00005 0.00000 0.00001 -0.00002 -0.00002 -0.00001 0.00000 -0.00002 -0.00000 0.00006 0.00005 0.00006 0.00004 0.00006 0.00004 -0.00000 0.00001 0.00001 0.00002 0.00003 0.00002 0.00001 0.00002 0.00002 -0.00002 -0.00005 -0.00002 -0.00005 -0.00003 -0.00005 -0.00002 -0.00005 0.00003 0.00003 0.00003 0.00008 0.00009 0.00009 0.00011 0.00012 0.00011 0.00007 0.00008 0.00008 -0.00010 -0.00012 -0.00013 -0.00015 -0.00012 -0.00014 -0.00006 -0.00008 -0.00006 -0.00007 -0.00009 -0.00007 -0.00004 -0.00006 -0.00004 0.00007 0.00010 0.00006 0.00009 0.00008 0.00011 0.00003 0.00003 0.00003 -0.00004 -0.00002 -0.00001 2.60759 2.52804 2.06123 2.67194 2.05400 2.67557 2.59320 2.60322 2.05394 2.53062 2.06206 2.32279 2.32399 3.03901 3.11726 2.08950 2.08460 2.80080 2.08353 2.59061 2.63414 2.07678 2.08879 2.09460 2.87681 2.09288 2.07275 2.75372 2.87632 2.09271 2.07209 2.75458 2.07590 2.09562 2.64359 2.07584 2.09548 2.64426 2.15021 2.12042 2.01255 2.09890 2.05122 2.13306 2.01187 2.13623 2.13508 2.09912 2.13200 2.05199 2.15046 2.11808 2.01465 1.96588 1.86103 1.96065 1.84388 1.96137 1.86078 2.05439 2.11409 2.10495 1.93204 1.86848 1.99634 1.86056 1.89276 1.90884 2.10241 2.00425 2.00221 2.01930 1.88355 1.95119 1.94663 1.90096 1.89358 1.88677 1.91715 1.87420 1.94379 1.88230 1.92634 1.91835 1.91629 1.87482 1.94373 1.88233 1.92488 1.92014 1.91099 1.90701 1.95354 1.88795 1.87995 1.92313 1.91110 1.90754 1.95277 1.88804 1.87986 1.92327 2.09362 2.09589 1.99902 1.92391 0.02164 -3.12514 -3.11667 0.01974 0.01248 -2.98042 -3.13221 0.15807 -0.05368 3.08759 3.09335 -0.04856 0.05497 -3.10061 -3.08631 0.04130 0.21992 2.88323 -2.92201 -0.25870 -0.02432 3.11404 3.13062 -0.01420 -0.01112 2.98261 3.13353 -0.15593 -2.52690 0.76767 -0.43159 2.86297 1.65838 -1.33024 -0.77264 1.24864 -2.91700 -3.01111 -0.98983 1.12772 1.25985 -3.00206 -0.88450 -1.12637 1.38299 2.99134 -0.78250 0.96880 -2.80503 -3.00583 -0.45956 -3.12392 -1.03383 1.08097 -0.86011 -2.92490 1.22326 1.18241 -0.88238 -3.01741 -2.99972 1.21868 -0.91634 -2.81514 0.77958 1.33374 -1.35472 -0.74027 2.85445 0.86354 2.92881 -1.21932 -1.17891 0.88636 3.02142 3.00065 -1.21726 0.91780 2.81480 -0.78056 -1.33622 1.35160 0.73804 -2.85732 1.06996 -3.11168 -1.05584 -1.07061 3.11140 1.05544 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000007 0.000002 0.000472 0.000081 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.838301e-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 1 1 1 2 2 3 3 4 4 5 5 7 7 7 7 11 11 11 14 14 16 17 17 17 24 24 24 24 25 25 25 25 26 26 26 29 29 29 2 10 22 3 21 4 36 5 6 10 23 8 9 10 11 12 13 14 15 16 17 18 19 20 26 27 28 36 29 30 31 36 32 33 37 34 35 37 1.3799 1.3378 1.0908 1.4139 1.0869 1.4159 1.3723 1.3776 1.0869 1.3391 1.0912 1.2292 1.2298 1.6082 1.6496 1.1057 1.1031 1.4821 1.1026 1.3709 1.3939 1.099 1.1053 1.1084 1.5223 1.1075 1.0968 1.4572 1.5221 1.1074 1.0965 1.4577 1.0985 1.109 1.3989 1.0985 1.1089 1.3993 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 10 1 1 3 2 2 4 3 3 5 4 4 10 8 8 8 9 9 10 1 1 5 7 7 7 12 12 13 11 11 15 14 16 16 16 18 18 19 26 26 26 27 27 28 29 29 29 30 30 31 24 24 24 32 32 33 25 25 25 34 34 35 3 3 24 26 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 7 7 7 10 10 10 11 11 11 11 11 11 14 14 14 16 17 17 17 17 17 17 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 29 29 29 29 29 29 36 36 36 37 10 22 22 3 21 21 4 36 36 5 6 6 10 23 23 9 10 11 10 11 11 5 7 7 12 13 14 13 14 14 15 16 16 17 18 19 20 19 20 20 27 28 36 28 36 36 30 31 36 31 36 36 32 33 37 33 37 37 34 35 37 35 37 37 24 25 25 29 123.1984 121.4909 115.3105 120.2581 117.5255 122.2157 115.2709 122.3986 122.3305 120.2714 122.1545 117.5694 123.2122 121.356 115.4316 112.6371 106.6287 112.3366 105.6461 112.3784 106.6144 117.7074 121.1281 120.6061 110.697 107.0557 114.3829 106.6018 108.4471 109.3682 120.4601 114.835 114.7181 115.6975 107.9197 111.7952 111.5336 108.9167 108.4943 108.1043 109.8428 107.384 111.3706 107.8472 110.372 109.9153 109.7969 107.4189 111.3673 107.8486 110.2863 110.0178 109.4916 109.264 111.9289 108.1721 107.7132 110.1867 109.4989 109.2925 111.8863 108.1777 107.7074 110.1946 119.9559 120.0877 114.5319 110.2314 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 10 10 22 22 2 2 22 22 1 1 21 21 2 2 36 36 2 2 4 4 3 3 6 6 4 4 23 23 8 8 9 9 11 11 8 8 8 9 9 9 10 10 10 7 7 12 12 13 13 11 15 14 14 14 27 27 27 28 28 28 36 36 36 26 26 27 27 28 28 30 30 30 31 31 31 36 36 36 29 29 30 30 31 31 24 32 33 25 34 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 14 14 16 16 16 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 26 26 26 29 29 2 2 2 2 10 10 10 10 3 3 3 3 4 4 4 4 36 36 36 36 5 5 5 5 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 16 16 17 17 17 26 26 26 26 26 26 26 26 26 36 36 36 36 36 36 29 29 29 29 29 29 29 29 29 36 36 36 36 36 36 37 37 37 37 37 3 21 3 21 5 7 5 7 4 36 4 36 5 6 5 6 24 25 24 25 10 23 10 23 1 7 1 7 1 5 1 5 1 5 12 13 14 12 13 14 12 13 14 15 16 15 16 15 16 17 17 18 19 20 32 33 37 32 33 37 32 33 37 3 25 3 25 3 25 34 35 37 34 35 37 34 35 37 3 24 3 24 3 24 29 29 29 26 26 1.2391 -179.0568 -178.5737 1.1304 0.7149 -170.7651 -179.4617 9.0583 -3.0743 176.9074 177.2358 -2.7824 3.1482 -177.6545 -176.8335 2.3637 12.6005 165.1939 -167.419 -14.8257 -1.3937 178.4206 179.373 -0.8127 -0.636 170.8906 179.5395 -8.9339 -144.7844 43.9815 -24.7318 164.034 95.0149 -76.2192 -44.2691 71.541 -167.132 -172.525 -56.7149 64.6121 72.1837 -172.0062 -50.6792 -64.5348 79.242 171.3922 -44.831 55.51 -160.7133 -172.2204 -26.3283 -178.9889 -59.236 61.9333 -49.2854 -167.5899 70.0826 67.7408 -50.5638 -172.8912 -171.8751 69.8204 -52.5071 -161.2899 44.6738 76.4252 -77.6111 -42.4078 163.5559 49.4803 167.8128 -69.8584 -67.5426 50.7899 173.1187 171.9272 -69.7403 52.5885 161.2722 -44.7286 -76.5633 77.4359 42.2823 -163.7185 61.3027 -178.2878 -60.4966 -61.3394 178.2716 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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-D2 -0.0287889163 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 214.95159999999993 AuxInfo=1/0/N:17,2,4,11,1,5,24,25,14,26,29,3,7,36,10,16,37/E:(2,3)(5,6)(7,8)(10,11)/CRV:2.3,3.3,5.3,6.3,9.3,12.3,13.4/rA:37nC3C3C3C3C3HB4HHNCHHC3HOCHHHHHHCCCHHCHHHHHHNO/rB:s1;s2;s3;s4;s4;;s7;s7;s1s5s7;s7;s11;s11;s11;s14;s14;s16;s17;s17;s17;s2;s1;s5;;;s24;s24;s24;s25;s25;s25;s26;s26;s29;s29;s3s24s25;s26s29;/rC:-.3994,-.7272,1.2183;.9083,-.3013,1.0594;1.5575,-.4831,-.166;.8324,-1.1213,-1.1765;-.4738,-1.5188,-.9465;1.2799,-1.3009,-2.1556;-2.6609,-1.5882,.3769;-2.8941,-2.6413,-.2094;-2.8758,-1.6556,1.5844;-1.0802,-1.3198,.2291;-3.4101,-.2972,-.3279;-3.3116,-.3444,-1.428;-4.4856,-.3911,-.1024;-2.9248,1.0254,.1302;-3.0706,1.3483,1.1738;-1.7505,1.4385,-.4423;-1.191,2.5989,.0927;-.2749,2.8233,-.4709;-1.8797,3.4594,.0148;-.9234,2.4661,1.16;1.4097,.1828,1.899;-.9517,-.5921,2.1488;-1.0816,-2.0024,-1.7128;3.8646,-.3542,.7788;3.5323,-.5683,-1.691;5.307,.0498,.5511;3.8098,-1.4622,.9453;3.4767,.1451,1.7045;4.9745,-.1637,-1.9191;3.461,-1.687,-1.648;2.9046,-.2235,-2.5533;5.9346,-.2965,1.4129;5.3787,1.1685,.51;5.3625,-.6633,-2.8444;5.0284,.9443,-2.0865;2.9934,.0206,-.4028;5.8462,-.5369,-.7374; 0.000000 1.384431 0.000000 2.409383 1.398564 0.000000 2.721722 2.382701 1.397905 0.000000 2.306197 2.723256 2.410020 1.384664 0.000000 3.812157 3.387266 2.169012 1.091411 2.141279 0.000000 2.561958 3.854992 4.394421 3.851607 2.557296 4.693263 0.000000 3.453322 4.641457 4.947332 4.139181 2.767840 4.796541 1.227708 0.000000 2.669961 4.053296 4.908445 4.653973 3.491970 5.602134 1.228297 2.046846 0.000000 1.339087 2.383434 2.795283 2.381900 1.337683 3.355229 1.610141 2.286636 2.274602 0.000000 3.411698 4.535734 4.973681 4.404345 3.239860 5.132652 1.650640 2.403186 2.405756 2.604687 0.000000 3.953463 4.898573 5.031853 4.223685 3.108676 4.746156 2.286487 2.633485 3.314168 2.945580 1.105505 0.000000 4.307441 5.518311 6.044118 5.474350 4.251911 6.187471 2.234321 2.758285 2.652494 3.545310 1.102908 1.771380 0.000000 3.260798 4.161230 4.738555 4.520232 3.693209 5.321313 2.638438 3.682592 3.050413 2.985372 1.481488 2.110501 2.120575 0.000000 3.382996 4.308800 5.154424 5.182326 4.411289 6.085270 3.070118 4.226289 3.038080 3.460202 2.253475 3.113342 2.580004 1.102092 0.000000 3.045193 3.514434 3.835570 3.709855 3.260373 4.429805 3.265115 4.243506 3.866237 2.916960 2.404194 2.566597 3.308158 1.370192 2.088743 0.000000 3.599443 3.708448 4.137571 4.420913 4.306930 5.135025 4.446643 5.518266 4.812942 3.922628 3.672654 3.933460 4.453329 2.341579 2.503133 1.394853 0.000000 3.933810 3.674942 3.792510 4.157412 4.372683 4.718611 5.086589 6.065575 5.572265 4.278370 4.425800 4.491346 5.310213 3.258164 3.563257 2.023831 1.098747 0.000000 4.600782 4.796603 5.233589 5.455058 5.261523 6.111846 5.120499 6.188563 5.442381 4.850402 4.070827 4.312878 4.650873 2.651360 2.686718 2.075970 1.104976 1.793300 0.000000 3.236546 3.320249 4.075633 4.627259 4.529836 5.480721 4.479923 5.643144 4.580525 3.901889 4.004198 4.505580 4.737799 2.672366 2.420816 2.075434 1.108288 1.791006 1.792373 0.000000 2.136454 1.091258 2.174743 3.390110 3.813190 4.319558 4.692897 5.562696 4.673825 3.353542 5.331052 5.799789 6.252180 4.756709 4.685862 4.128629 3.982946 3.927689 5.010679 3.347111 0.000000 1.090441 2.175051 3.415530 3.810587 3.266161 4.900025 2.655728 3.678680 2.269743 2.056957 3.502071 4.292261 4.194823 3.253292 3.034037 3.387531 3.803569 4.357299 4.672277 3.214292 2.497835 0.000000 3.268434 3.812892 3.415502 2.174290 1.091055 2.502992 2.651945 2.439985 3.769743 2.058366 3.201162 2.793343 4.095971 3.995218 4.849309 3.728463 4.944011 5.047868 5.783851 5.314661 4.901733 4.113052 0.000000 4.302805 2.970079 2.496412 3.688603 4.811985 4.023424 6.653343 7.203282 6.912035 5.068123 7.358616 7.507832 8.396659 6.958408 7.152013 6.019474 5.894931 5.365973 6.937175 5.569932 2.751316 5.013005 5.778384 0.000000 4.893599 3.810666 2.496558 2.803516 4.184115 2.413689 6.608522 6.913092 7.278358 5.052404 7.080128 6.852576 8.175684 6.895683 7.448395 5.787417 5.960019 5.242764 6.958594 6.098249 4.237647 5.903419 4.831693 2.501217 0.000000 5.797590 4.441898 3.854498 4.937390 6.174261 5.036698 8.136422 8.664757 8.422288 6.540342 8.768174 8.851674 9.824293 8.300068 8.500477 7.261109 6.995150 6.316231 7.972605 6.710234 4.125961 6.491228 7.081738 1.515106 2.925493 0.000000 4.281659 3.127235 2.695689 3.671988 4.683188 4.005333 6.496928 6.904080 6.718940 4.944282 7.423328 7.589249 8.429683 7.225474 7.435805 6.423146 6.498252 6.087382 7.580169 6.154752 3.062036 4.987736 5.593198 1.121768 2.797529 2.163981 0.000000 4.002702 2.685574 2.752585 4.110485 5.040167 4.670918 6.514395 7.212066 6.603923 5.008822 7.194041 7.492181 8.182342 6.650714 6.678042 5.796997 5.514181 5.097013 6.521576 5.004435 2.076473 4.511291 6.088333 1.120996 3.470042 2.165502 1.808479 0.000000 6.248125 5.042222 3.853729 4.315648 5.697922 3.872861 8.099400 8.424712 8.725104 6.527676 8.535250 8.302546 9.635616 8.246912 8.750722 7.069142 7.049239 6.210909 7.990403 7.154084 5.235020 7.200716 6.332420 2.923459 1.515125 2.501576 3.353688 3.933039 0.000000 4.903026 3.970677 2.696138 2.729815 4.000448 2.272481 6.448932 6.585431 7.113735 4.927600 7.133482 6.907910 8.198628 7.162244 7.735480 6.195344 6.560463 5.973751 7.600908 6.660022 4.503906 5.923350 4.554058 2.797928 1.121761 3.355545 2.626293 3.820427 2.164334 0.000000 5.039351 4.128295 2.753450 2.644902 3.959000 1.989648 6.436158 6.705588 7.251569 4.982239 6.695781 6.318391 7.787851 6.537811 7.215624 5.374800 5.633911 4.871240 6.561155 5.972929 4.714123 6.092325 4.445347 3.470079 1.120911 3.934882 3.820223 4.311814 2.165649 1.808590 0.000000 6.351589 5.038708 4.656892 5.780756 6.937472 5.950567 8.753531 9.277645 8.916256 7.187186 9.505424 9.672857 10.530200 9.048789 9.157259 8.093967 7.803844 7.199976 8.782085 7.397817 4.576067 6.931779 7.868083 2.165680 3.934326 1.120931 2.468141 2.514188 3.470100 4.173797 4.991656 0.000000 6.122245 4.737819 4.217409 5.362462 6.602683 5.477573 8.500163 9.136252 8.790183 6.927359 8.949487 9.031372 10.005596 8.313381 8.477238 7.197580 6.736552 5.971919 7.627472 6.467032 4.319013 6.771957 7.532004 2.164081 3.357085 1.121775 3.093722 2.468130 2.799739 4.060531 4.176415 1.808460 0.000000 7.050523 5.933911 4.656736 4.849078 6.196556 4.189137 8.695336 8.889760 9.405858 7.168461 9.133784 8.794779 10.226385 8.965487 9.555667 7.796335 7.887791 7.040678 8.810350 8.083398 6.232281 8.050267 6.678388 3.932856 2.165481 3.470061 4.172714 4.990262 1.120958 2.468834 2.513863 4.311260 3.822063 0.000000 6.570834 5.331326 4.215779 4.764485 6.135194 4.369962 8.462095 8.896353 9.094565 6.913960 8.708698 8.464566 9.809968 8.256678 8.739909 6.992875 6.794626 5.853690 7.646108 6.948282 5.436792 7.487253 6.793698 3.354112 2.163908 2.799024 4.058018 4.173443 1.121816 3.093892 2.468161 3.821845 2.629588 1.808443 0.000000 3.833812 2.566963 1.540000 2.563605 3.832350 2.784715 5.930205 6.464147 6.419214 4.334761 6.411777 6.398158 7.496319 6.026454 6.404705 4.951381 4.939828 4.305990 5.978870 4.874822 2.798724 4.738106 4.734333 1.515180 1.515435 2.502755 2.163967 2.165621 2.501538 2.164446 2.166076 3.471050 2.800144 3.470182 2.798040 0.000000 6.547403 5.259933 4.326947 5.066753 6.399261 4.842101 8.643966 9.005530 9.094835 7.037198 9.268429 9.185771 10.352316 8.951157 9.312125 7.854847 7.748801 6.987829 8.730741 7.644943 5.210678 7.385417 7.147962 2.501802 2.502859 1.514985 2.799016 3.470230 1.515071 2.800110 3.471063 2.165546 2.164017 2.165512 2.163916 2.925970 0.000000 C12H20BN2O2(2) 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 0 214.95159999999993 AuxInfo=1/0/N:17,2,4,11,1,5,24,25,14,26,29,3,7,36,10,16,37/E:(2,3)(5,6)(7,8)(10,11)/CRV:2.3,3.3,5.3,6.3,9.3,12.3,13.4/rA:37nC3C3C3C3C3HB4HHNCHHC3HOCHHHHHHCCCHHCHHHHHHNO/rB:s1;s2;s3;s4;s4;;s7;s7;s1s5s7;s7;s11;s11;s11;s14;s14;s16;s17;s17;s17;s2;s1;s5;;;s24;s24;s24;s25;s25;s25;s26;s26;s29;s29;s3s24s25;s26s29;/rC:-1.4728,-.3258,1.4002;-.1822,.1517,1.2491;.587,-.2509,.1527;-.0039,-1.1534,-.7364;-1.3013,-1.5874,-.5227;.5418,-1.514,-1.6101;-3.5943,-1.5238,.6078;-3.7122,-2.6964,.264;-3.9161,-1.3341,1.7779;-2.0244,-1.1759,.5248;-4.3466,-.4853,-.4316;-4.144,-.7711,-1.4801;-5.4314,-.6077,-.2744;-3.9814,.9395,-.2547;-4.2414,1.4767,.6718;-2.7843,1.3015,-.8145;-2.3433,2.5916,-.5199;-1.3931,2.7527,-1.0474;-3.0694,3.3575,-.8472;-2.1688,2.7231,.5667;.211,.8491,1.9906;-2.1158,-.0275,2.2289;-1.8071,-2.2758,-1.2014;2.7856,.2626,1.2178;2.6964,-.5262,-1.1541;4.2178,.7137,1.0154;2.7784,-.7804,1.6307;2.286,.9262,1.9705;4.1283,-.0745,-1.3571;2.6848,-1.6086,-.8599;2.1329,-.433,-2.1186;4.7813,.6189,1.9798;4.2296,1.7966,.7231;4.6282,-.7384,-2.1094;4.1348,.9682,-1.7708;2.0079,.2945,-.0821;4.9064,-.1049,-.0574; 1.0677559 0.2186975 0.2102131 -19.27530 -19.26509 -14.50936 -14.49720 -10.39006 -10.37349 -10.37340 -10.37227 -10.37094 -10.36126 -10.36025 -10.33984 -10.33953 -10.33826 -10.30866 -10.23956 -6.78956 -1.13818 -1.10006 -1.09330 -1.03121 -0.92640 -0.89622 -0.88388 -0.83019 -0.81254 -0.77540 -0.75240 -0.73969 -0.73634 -0.67410 -0.67321 -0.65477 -0.61964 -0.61113 -0.59030 -0.57401 -0.57298 -0.56599 -0.55970 -0.55339 -0.55090 -0.54127 -0.53400 -0.52677 -0.52035 -0.50496 -0.49154 -0.48737 -0.46475 -0.45251 -0.44966 -0.44346 -0.43525 -0.41036 -0.40659 -0.39815 -0.39543 -0.37512 -0.36144 -0.35310 -0.33715 -0.32980 -0.20616 0.00664 0.02363 0.11093 0.12400 0.13041 0.13662 0.14423 0.15276 0.16650 0.17311 0.17977 0.18722 0.19087 0.19439 0.19934 0.20476 0.20854 0.21529 0.22162 0.22483 0.22752 0.23497 0.23668 0.25286 0.25709 0.26054 0.26906 0.27728 0.28750 0.29241 0.30060 0.30543 0.33304 0.33912 0.34542 0.36019 0.37612 0.38868 0.39545 0.42436 0.43844 0.44866 0.46790 0.48967 0.49528 0.49952 0.50709 0.51169 0.51804 0.51993 0.52807 0.53266 0.53578 0.55394 0.55437 0.56405 0.56852 0.57379 0.58790 0.60655 0.62671 0.62875 0.64733 0.65183 0.65574 0.66848 0.67529 0.68430 0.68919 0.69239 0.70088 0.70419 0.70917 0.71335 0.71688 0.72199 0.73235 0.73671 0.73771 0.74445 0.74824 0.75417 0.75850 0.76675 0.76959 0.78149 0.78218 0.78698 0.79519 0.79808 0.80316 0.80998 0.81852 0.82813 0.84105 0.85145 0.86865 0.87155 0.87474 0.89799 0.90686 0.92721 0.94829 0.96445 0.98954 1.00971 1.01963 1.03902 1.05740 1.09181 1.10805 1.12982 1.13961 1.14515 1.16260 1.18381 1.19799 1.21404 1.22349 1.23903 1.24622 1.26680 1.28474 1.30130 1.30461 1.31951 1.33340 1.34046 1.36638 1.37464 1.38211 1.41047 1.41427 1.43165 1.44694 1.45462 1.48649 1.50414 1.51712 1.52477 1.53668 1.55702 1.57079 1.58168 1.59139 1.60233 1.61687 1.62072 1.66006 1.67269 1.69469 1.71217 1.73519 1.74988 1.76304 1.77325 1.78249 1.79173 1.79555 1.79979 1.80262 1.80844 1.81519 1.83101 1.84599 1.84766 1.85422 1.86075 1.86699 1.87642 1.88149 1.88611 1.90171 1.90389 1.91103 1.91673 1.91965 1.93170 1.93682 1.94190 1.94817 1.95939 1.96657 1.97647 1.99060 1.99311 2.00235 2.00954 2.02013 2.02982 2.04251 2.05020 2.05546 2.07352 2.08678 2.09827 2.10929 2.14400 2.14683 2.16205 2.17350 2.18725 2.21286 2.22452 2.23195 2.26211 2.26662 2.27601 2.29834 2.30449 2.31547 2.33624 2.35687 2.37752 2.39788 2.40145 2.40827 2.41858 2.42856 2.44419 2.45287 2.46741 2.48366 2.50203 2.53504 2.54561 2.54960 2.56513 2.57928 2.62565 2.66752 2.66914 2.68045 2.69124 2.71489 2.72116 2.72843 2.73687 2.74515 2.75740 2.77764 2.78634 2.82118 2.84136 2.88312 2.88830 2.89673 2.90772 2.92066 2.93102 2.95719 2.97120 2.97423 2.98649 2.99390 3.00255 3.02975 3.04032 3.05795 3.05978 3.11780 3.12620 3.15079 3.18718 3.19603 3.19833 3.21639 3.23585 3.26702 3.39424 3.47662 3.47942 3.63770 3.71045 -19.27530 -19.26176 -14.50952 -14.49718 -10.38997 -10.37349 -10.37340 -10.37219 -10.37076 -10.36125 -10.36025 -10.33989 -10.33962 -10.33828 -10.29757 -10.23992 -6.78850 -1.12851 -1.10005 -1.09326 -1.03115 -0.92632 -0.89606 -0.88382 -0.81928 -0.81179 -0.77534 -0.74944 -0.73966 -0.73574 -0.67334 -0.67137 -0.64220 -0.61954 -0.61047 -0.59021 -0.57295 -0.56682 -0.56529 -0.55465 -0.55314 -0.54941 -0.53881 -0.53039 -0.52249 -0.51822 -0.50492 -0.49070 -0.48721 -0.46472 -0.45237 -0.44703 -0.43592 -0.43027 -0.40658 -0.40199 -0.39197 -0.38132 -0.37351 -0.36039 -0.34662 -0.33549 -0.32363 0.00646 0.02311 0.07908 0.11109 0.12458 0.13043 0.13664 0.14429 0.15297 0.16660 0.17395 0.18005 0.18755 0.19117 0.19460 0.20056 0.20555 0.20898 0.21653 0.22296 0.22647 0.22901 0.23880 0.23947 0.25426 0.25731 0.26097 0.27111 0.27751 0.28869 0.29260 0.30141 0.30585 0.33397 0.33995 0.34603 0.36309 0.38151 0.39209 0.40217 0.42582 0.43954 0.44940 0.46885 0.49057 0.49608 0.50079 0.51045 0.51213 0.51997 0.52300 0.52939 0.53285 0.53709 0.55570 0.55833 0.56533 0.56947 0.58304 0.58994 0.60874 0.62991 0.63692 0.65119 0.65442 0.66088 0.67219 0.67989 0.68465 0.69174 0.69291 0.70211 0.70510 0.71103 0.71479 0.71748 0.72238 0.73282 0.73693 0.73942 0.74492 0.74948 0.75424 0.75853 0.76939 0.77039 0.78214 0.78490 0.78857 0.79658 0.79989 0.80528 0.81134 0.82041 0.82874 0.84167 0.85202 0.86966 0.87334 0.87644 0.90177 0.90938 0.93182 0.94870 0.96600 0.99319 1.01108 1.02027 1.04060 1.05776 1.09199 1.10895 1.13158 1.14086 1.14549 1.16728 1.18454 1.19903 1.21643 1.22533 1.23930 1.24814 1.26715 1.28521 1.30201 1.30498 1.32107 1.33529 1.34235 1.36678 1.37702 1.38490 1.41094 1.41638 1.43364 1.44916 1.45614 1.49048 1.50435 1.51743 1.52819 1.54020 1.55801 1.57129 1.58345 1.59496 1.60365 1.61769 1.62502 1.66084 1.67670 1.70300 1.71254 1.73665 1.75054 1.76314 1.77367 1.78314 1.79201 1.79624 1.80027 1.80358 1.80947 1.81639 1.83127 1.84672 1.84843 1.85513 1.86134 1.86845 1.87687 1.88300 1.88862 1.90228 1.90419 1.91414 1.91832 1.92033 1.93219 1.93833 1.94699 1.94955 1.96143 1.96837 1.97807 1.99414 1.99565 2.01036 2.01336 2.02677 2.03171 2.04395 2.05243 2.05607 2.07872 2.08855 2.10418 2.11155 2.14568 2.14908 2.16477 2.17860 2.19234 2.21460 2.23147 2.25313 2.26219 2.26813 2.27936 2.29968 2.30837 2.31860 2.33630 2.35738 2.37805 2.39811 2.40236 2.41035 2.41885 2.43395 2.44471 2.45315 2.46745 2.48690 2.50260 2.53518 2.54566 2.55414 2.56554 2.58234 2.62757 2.66793 2.66928 2.68104 2.69139 2.71798 2.72248 2.73051 2.74008 2.74676 2.75982 2.77793 2.78640 2.82126 2.84140 2.88347 2.89055 2.89922 2.91068 2.92094 2.93115 2.95730 2.97431 2.98169 2.98986 2.99414 3.00358 3.02991 3.05237 3.05806 3.06064 3.11881 3.12749 3.15080 3.18729 3.19842 3.20534 3.21768 3.24515 3.26705 3.39432 3.47665 3.48698 3.64407 3.71051 2-A. 5.9938 2.1781 0.0302 6.3774 -135.9704 -104.7148 -95.8479 -6.7475 0.1281 9.1324 -23.7927 7.4629 16.3298 -6.7475 0.1281 9.1324 77.1844 38.6865 -7.2669 32.0131 53.6894 -7.8315 46.4107 7.1905 -13.7321 -7.7883 -6714.8509 -948.9603 -638.0320 -95.1008 38.6710 -123.7830 19.9103 14.8762 32.6000 -1194.5511 -1013.8054 -263.4337 92.9806 32.2091 -24.1087 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 214.95159999999993 AuxInfo=1/0/N:17,2,4,11,1,5,24,25,14,26,29,3,7,36,10,16,37/E:(2,3)(5,6)(7,8)(10,11)/CRV:2.3,3.3,5.3,6.3,9.3,12.3,13.4/rA:37nC3C3C3C3C3HB4HHNCHHC3HOCHHHHHHCCCHHCHHHHHHNO/rB:s1;s2;s3;s4;s4;;s7;s7;s1s5s7;s7;s11;s11;s11;s14;s14;s16;s17;s17;s17;s2;s1;s5;;;s24;s24;s24;s25;s25;s25;s26;s26;s29;s29;s3s24s25;s26s29;/rC:-.4038,-.9482,1.1623;.9416,-.6667,1.0415;1.59,-.809,-.2069;.781,-1.3121,-1.2543;-.5559,-1.5649,-1.0389;1.1747,-1.5008,-2.2496;-2.7545,-1.4879,.2774;-3.0976,-2.4762,-.3679;-2.9808,-1.6061,1.4804;-1.1552,-1.3842,.145;-3.3708,-.0892,-.343;-3.2705,-.0725,-1.4441;-4.4522,-.0874,-.125;-2.7574,1.1448,.2026;-2.8708,1.401,1.2689;-1.5411,1.4713,-.3392;-.8702,2.5279,.2743;.0715,2.6911,-.2682;-1.4637,3.4601,.2504;-.6313,2.2988,1.3322;1.4669,-.3325,1.9325;-.9292,-.8234,2.1101;-1.2013,-1.9285,-1.8401;3.7659,-.2333,.7615;3.6163,-.9387,-1.582;5.0171,.5389,.367;4.0503,-1.1886,1.2442;3.2281,.3707,1.5026;4.8762,-.1205,-1.8271;3.8778,-2.0105,-1.4862;2.9753,-.8267,-2.4645;5.7052,.5835,1.2221;4.736,1.5766,.0948;5.4575,-.577,-2.6397;4.5921,.9051,-2.1388;2.91,-.4824,-.3912;5.6951,-.0715,-.6935; 0.000000 1.379878 0.000000 2.422707 1.413930 0.000000 2.715919 2.390201 1.415852 0.000000 2.291047 2.716180 2.422542 1.377561 0.000000 3.799817 3.403218 2.196360 1.086900 2.113047 0.000000 2.569097 3.862629 4.423864 3.857067 2.563686 4.671703 0.000000 3.454381 4.644998 4.977862 4.145395 2.782220 4.769124 1.229164 0.000000 2.678564 4.057132 4.937048 4.660032 3.496928 5.584987 1.229804 2.046190 0.000000 1.337783 2.390652 2.826789 2.389953 1.339144 3.343047 1.608183 2.286579 2.272761 0.000000 3.436174 4.565962 5.014660 4.423083 3.253588 5.127350 1.649586 2.402740 2.403803 2.612361 0.000000 3.972165 4.926804 5.069296 4.241149 3.124186 4.738025 2.287580 2.639311 3.314909 2.953014 1.105717 0.000000 4.334486 5.548872 6.085713 5.491954 4.266070 6.178488 2.237285 2.756895 2.655035 3.553180 1.103121 1.771013 0.000000 3.292547 4.203323 4.783791 4.547375 3.705412 5.336073 2.633716 3.681386 3.041417 2.994339 1.482117 2.111021 2.120842 0.000000 3.408233 4.343008 5.192396 5.202211 4.413773 6.096467 3.056510 4.214645 3.016553 3.458898 2.251465 3.113072 2.580545 1.102557 0.000000 3.066232 3.555470 3.875706 3.738522 3.267800 4.456312 3.257140 4.243310 3.854058 2.921807 2.404740 2.567978 3.309004 1.370893 2.087833 0.000000 3.617918 3.751912 4.173608 4.450656 4.309797 5.175176 4.435899 5.514944 4.795767 3.924593 3.671975 3.933971 4.453076 2.340857 2.502328 1.393928 0.000000 3.939114 3.707724 3.815750 4.183366 4.370434 4.765995 5.074208 6.062453 5.553364 4.275872 4.425480 4.493151 5.310738 3.258085 3.561506 2.023236 1.098985 0.000000 4.624707 4.841685 5.268696 5.484150 5.266561 6.149921 5.113627 6.187974 5.429636 4.855228 4.072641 4.314431 4.653641 2.652632 2.693934 2.075802 1.105340 1.793648 0.000000 3.259332 3.369360 4.118378 4.660714 4.533803 5.525181 4.467550 5.636715 4.559590 3.904852 4.001657 4.505011 4.734546 2.669751 2.413536 2.075048 1.108414 1.791412 1.792149 0.000000 2.114652 1.086930 2.195273 3.403767 3.799977 4.352099 4.679172 5.542706 4.648444 3.343131 5.351714 5.823371 6.271291 4.797840 4.718130 4.178788 4.048881 3.991536 5.079529 3.418540 0.000000 1.090756 2.160147 3.422685 3.805553 3.256535 4.887946 2.670593 3.684265 2.284306 2.055989 3.538155 4.321753 4.236643 3.294638 3.070097 3.411589 3.821646 4.359979 4.700298 3.231403 2.452269 0.000000 3.257580 3.806357 3.422327 2.157026 1.091196 2.448653 2.662827 2.462376 3.781064 2.058896 3.214276 2.807773 4.110957 4.004923 4.851746 3.731886 4.943723 5.042960 5.785862 5.315845 4.888693 4.110871 0.000000 4.249454 2.870968 2.450198 3.759856 4.867483 4.169876 6.657612 7.308413 6.922303 5.091284 7.223099 7.375683 8.267023 6.690581 6.853718 5.681642 5.417972 4.822911 6.422650 5.106080 2.581927 4.920378 5.857898 0.000000 4.867495 3.756405 2.452232 2.878456 4.253727 2.592883 6.659282 6.993832 7.303739 5.093868 7.146771 6.942399 8.243038 6.938931 7.462168 5.826756 5.965850 5.240828 6.965099 6.084021 4.164032 5.857100 4.924964 2.451952 0.000000 5.677160 4.303228 3.727042 4.898863 6.120519 5.076528 8.032049 8.687838 8.355020 6.468713 8.441309 8.505146 9.502710 7.799747 7.985941 6.661676 6.214864 5.430833 7.109655 5.994421 3.976707 6.344468 7.044694 1.522344 2.818523 0.000000 4.461320 3.158654 2.881412 4.116504 5.154701 4.535766 6.879648 7.439644 7.047374 5.323823 7.668177 7.878209 8.682141 7.271431 7.389723 6.391075 6.242139 5.759355 7.280260 5.838414 2.807259 5.067345 6.135083 1.107505 2.870217 2.165339 0.000000 3.878871 2.552722 2.645153 4.052116 4.952147 4.668787 6.383304 7.184484 6.515955 4.912760 6.867533 7.149127 7.864169 6.173689 6.189683 5.229565 4.791433 4.299274 5.755432 4.317573 1.944503 4.367791 6.006569 1.096847 3.373343 2.125647 1.781640 0.000000 6.123713 4.899788 3.727970 4.303253 5.675799 3.972961 8.032795 8.441483 8.653191 6.470139 8.379508 8.155779 9.482414 7.999450 8.480317 6.777100 6.667127 5.780979 7.571675 6.794576 5.079666 7.049629 6.340674 2.818978 1.522081 2.295406 3.354988 3.747554 0.000000 5.145435 4.100776 2.883444 3.183040 4.478445 2.854718 6.882681 7.079791 7.483598 5.327645 7.585589 7.406484 8.656802 7.538785 8.048151 6.542404 6.799993 6.170570 7.840563 6.844343 4.507318 6.119580 5.092065 2.867631 1.107414 3.351379 2.856607 3.876168 2.164453 0.000000 4.958568 4.056359 2.648845 2.552482 3.879013 1.934614 6.386405 6.632974 7.186424 4.917420 6.731871 6.373390 7.822247 6.622972 7.285494 5.495076 5.791595 5.062655 6.741805 6.098462 4.674809 6.014310 4.364360 3.374137 1.096499 3.748534 3.878319 4.151563 2.125621 1.781302 0.000000 6.298379 4.928190 4.573354 5.828646 6.994935 6.076407 8.760706 9.454018 8.961414 7.217792 9.234529 9.386256 10.268279 8.542220 8.615003 7.465591 6.922060 6.196913 7.785393 6.565515 4.393977 6.839794 7.961593 2.154129 3.813599 1.098517 2.424797 2.502028 3.237411 4.171680 4.799224 0.000000 5.825098 4.508414 3.959682 5.079983 6.257680 5.258303 8.095203 8.831987 8.461556 6.593524 8.287781 8.318145 9.340245 7.506579 7.698888 6.293002 5.689175 4.809530 6.481372 5.555258 4.208192 6.474222 7.161093 2.158995 3.223660 1.108952 3.072079 2.389510 2.567819 4.012872 3.927641 1.787837 0.000000 6.996288 5.826883 4.574896 4.932430 6.300721 4.398585 8.762189 9.052984 9.446594 7.220309 9.135180 8.823902 10.235463 8.861530 9.410111 7.646445 7.627018 6.731484 8.517819 7.817892 6.073730 7.963068 6.841392 3.814241 2.153969 3.237250 4.176035 4.798640 1.098487 2.425028 2.500832 4.040072 3.554773 0.000000 6.268280 5.090285 3.960150 4.496936 5.814857 4.180814 8.095508 8.584879 8.760887 6.594503 8.223250 7.953539 9.318786 7.717155 8.219113 6.416844 6.188183 5.208149 6.993510 6.424516 5.279617 7.178106 6.456148 3.223426 2.159075 2.567810 4.015196 3.925000 1.108878 3.071882 2.391493 3.555021 2.336832 1.787816 0.000000 3.689473 2.441615 1.372251 2.442508 3.688358 2.738997 5.791835 6.329856 6.282305 4.198407 6.293355 6.282946 7.377631 5.926201 6.302502 4.861313 4.878021 4.259498 5.923212 4.821443 2.739553 4.594829 4.592759 1.457197 1.457665 2.461237 2.115088 2.101279 2.461352 2.114356 2.102701 3.398824 2.794612 3.399117 2.794341 0.000000 6.434978 5.095065 4.199033 5.099122 6.436137 4.989773 8.622302 9.121328 9.074729 7.025070 9.072670 8.996896 10.163169 8.586366 8.910293 7.407285 7.127134 6.279886 8.038080 7.052993 4.984152 7.232284 7.233426 2.421822 2.421276 1.398936 2.776346 3.332322 1.399285 2.773129 3.332244 2.024570 2.063366 2.024774 2.063707 2.831339 0.000000 C12H20BN2O2(2) 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 0 214.95159999999993 AuxInfo=1/0/N:17,2,4,11,1,5,24,25,14,26,29,3,7,36,10,16,37/E:(2,3)(5,6)(7,8)(10,11)/CRV:2.3,3.3,5.3,6.3,9.3,12.3,13.4/rA:37nC3C3C3C3C3HB4HHNCHHC3HOCHHHHHHCCCHHCHHHHHHNO/rB:s1;s2;s3;s4;s4;;s7;s7;s1s5s7;s7;s11;s11;s11;s14;s14;s16;s17;s17;s17;s2;s1;s5;;;s24;s24;s24;s25;s25;s25;s26;s26;s29;s29;s3s24s25;s26s29;/rC:-1.4825,-.383,1.4136;-.1417,-.0693,1.3238;.6314,-.5492,.2416;-.0529,-1.4003,-.6595;-1.3955,-1.6571,-.4885;.4434,-1.8621,-1.5091;-3.7149,-1.3147,.5486;-3.9595,-2.4733,.2188;-4.0551,-1.0698,1.7047;-2.1146,-1.1576,.5247;-4.3127,-.217,-.5279;-4.1045,-.5347,-1.5663;-5.4098,-.2154,-.4127;-3.7974,1.1608,-.3467;-4.0243,1.726,.5724;-2.545,1.3792,-.8596;-1.9734,2.6133,-.5538;-.9886,2.6593,-1.0394;-2.5922,3.4537,-.918;-1.833,2.7371,.5386;.2814,.5556,2.1061;-2.1029,-.0048,2.2271;-1.946,-2.2897,-1.1867;2.6805,.4316,1.1597;2.7869,-.9705,-.849;3.9383,1.1207,.6494;2.9472,-.3085,1.9392;2.0523,1.2,1.6266;4.0371,-.1911,-1.2316;3.073,-1.9419,-.401;2.2331,-1.1765,-1.7727;4.5366,1.4697,1.5021;3.6514,2.0041,.0436;4.7108,-.839,-1.8088;3.7516,.6684,-1.8713;1.9516,-.2139,.0755;4.7378,.2562,-.106; 1.0317566 0.2327004 0.2175407 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= 354 354 354 354 354 MxSgAt= 37 MxSgA2= 37. 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 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= 354 354 354 354 354 MxSgAt= 37 MxSgA2= 37. 1 0.7541 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 C C C C C H B H H N C H H C H O C H H H H H H C C C H H C H H H H H H N O 13 13 13 13 13 1 11 1 1 14 13 1 1 13 1 17 13 1 1 1 1 1 1 13 13 13 1 1 13 1 1 1 1 1 1 14 17 0.00344 -0.00083 0.00151 -0.00070 0.00128 0.00002 0.05139 0.00125 -0.00054 -0.00659 -0.03028 0.00513 0.00603 0.27324 -0.00569 0.05721 -0.00306 -0.00044 0.00174 0.00171 0.00005 -0.00011 -0.00010 0.00034 0.00004 -0.00001 -0.00000 0.00001 -0.00001 0.00002 0.00001 -0.00000 0.00000 -0.00000 -0.00000 0.00109 -0.00000 3.86872 -0.93668 1.69528 -0.78239 1.44083 0.10186 73.71847 5.57092 -2.40491 -2.13007 -34.03739 22.91368 26.96982 307.17552 -25.44191 -34.68050 -3.44267 -1.96700 7.79969 7.65862 0.22639 -0.47575 -0.45840 0.38622 0.04293 -0.00785 -0.00139 0.03398 -0.00791 0.07391 0.02654 -0.00496 0.00090 -0.00585 -0.00237 0.35228 0.00269 1.38046 -0.33423 0.60492 -0.27918 0.51412 0.03635 26.30458 1.98784 -0.85813 -0.76006 -12.14539 8.17617 9.62350 109.60787 -9.07831 -12.37486 -1.22843 -0.70187 2.78312 2.73279 0.08078 -0.16976 -0.16357 0.13781 0.01532 -0.00280 -0.00049 0.01212 -0.00282 0.02637 0.00947 -0.00177 0.00032 -0.00209 -0.00085 0.12570 0.00096 1.29047 -0.31244 0.56549 -0.26098 0.48061 0.03398 24.58983 1.85826 -0.80219 -0.71052 -11.35365 7.64318 8.99616 102.46273 -8.48651 -11.56817 -1.14835 -0.65612 2.60170 2.55464 0.07552 -0.15869 -0.15290 0.12883 0.01432 -0.00262 -0.00046 0.01133 -0.00264 0.02465 0.00885 -0.00165 0.00030 -0.00195 -0.00079 0.11751 0.00090 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 -0.004572 0.003862 -0.000238 0.002817 -0.000987 0.001166 -0.009421 -0.004170 -0.006173 0.001847 -0.016217 -0.008572 0.002355 0.038075 -0.032285 0.063848 0.003164 0.004001 -0.003573 0.001058 0.001739 -0.000034 -0.000075 0.000843 0.000839 0.000530 0.000660 0.000777 0.000513 0.000645 0.000834 0.000371 0.000514 0.000374 0.000523 -0.000002 0.000426 0.002707 -0.002883 0.002366 -0.001158 0.005036 -0.000321 0.011272 0.007804 0.000233 0.000516 0.033182 0.009918 0.006634 -0.165435 -0.015997 -0.158190 0.005079 0.000827 0.011231 0.002485 -0.001396 -0.002479 0.001689 -0.000551 -0.000428 -0.000268 -0.000356 -0.000507 -0.000260 -0.000239 -0.000474 -0.000207 -0.000252 -0.000191 -0.000279 0.001327 -0.000202 0.001865 -0.000979 -0.002128 -0.001659 -0.004049 -0.000845 -0.001851 -0.003634 0.005940 -0.002363 -0.016965 -0.001346 -0.008989 0.127361 0.048283 0.094342 -0.008243 -0.004828 -0.007657 -0.003543 -0.000343 0.002513 -0.001614 -0.000292 -0.000411 -0.000262 -0.000304 -0.000271 -0.000253 -0.000406 -0.000360 -0.000164 -0.000261 -0.000184 -0.000244 -0.001325 -0.000224 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 -0.005877 0.001131 -0.004194 -0.001456 -0.006157 -0.001054 -0.022268 -0.000484 -0.000230 -0.000883 -0.016439 -0.000333 0.013482 -0.410404 -0.033766 -0.230471 0.012762 0.007162 0.007327 0.007561 -0.000031 -0.003116 -0.002424 -0.000041 -0.000330 0.000015 -0.000266 0.000023 -0.000109 -0.000440 -0.000341 -0.000013 0.000098 -0.000117 0.000006 -0.001014 -0.000078 0.006010 0.000308 0.002491 -0.000560 0.001206 -0.000627 0.017987 0.001290 0.000199 -0.001396 0.010491 -0.000105 -0.001405 0.569338 -0.004158 0.416841 0.002051 -0.001410 -0.001297 0.004171 0.001498 0.004132 -0.000752 0.000496 -0.000257 0.000144 0.000360 0.000529 -0.000126 -0.000131 -0.000458 0.000163 0.000112 -0.000134 -0.000160 0.000353 0.000018 -0.013900 0.001689 -0.005144 0.001385 -0.004172 0.000344 -0.027237 -0.000396 -0.006027 0.004081 -0.019346 0.011711 -0.002008 -0.431642 0.034292 -0.239458 0.003259 -0.002013 -0.002263 0.004789 -0.000100 -0.002111 0.001303 0.000049 0.000120 -0.000008 -0.000119 0.000040 0.000011 0.000056 0.000115 -0.000006 0.000012 0.000024 -0.000007 -0.001253 -0.000007 -0.0488 0.6848 0.7271 0.9414 0.2747 -0.1956 -0.3337 0.6749 -0.6581 -0.0116 -0.0075 0.0192 -1.561 -1.011 2.572 -0.557 -0.361 0.918 -0.521 -0.337 0.858 1 C 13 -0.1068 0.8696 -0.482 -0.1951 0.457 0.8678 0.9749 0.1867 0.1209 -0.004 -2.0E-4 0.0041 -0.531 -0.021 0.552 -0.19 -0.008 0.197 -0.177 -0.007 0.184 2 C 13 0.0669 0.5704 0.8187 0.8698 0.3687 -0.3279 -0.4888 0.734 -0.4715 -0.0055 -0.003 0.0085 -0.739 -0.396 1.136 -0.264 -0.141 0.405 -0.247 -0.132 0.379 3 C 13 -0.1016 -0.6771 0.7289 0.3827 0.6496 0.6569 0.9182 -0.3457 -0.1931 -0.0029 -6.0E-4 0.0035 -0.385 -0.083 0.467 -0.137 -0.029 0.167 -0.128 -0.028 0.156 4 C 13 0.4301 0.5112 0.7441 0.7593 0.241 -0.6044 -0.4883 0.825 -0.2845 -0.0062 -0.0039 0.0101 -0.834 -0.523 1.358 -0.298 -0.187 0.485 -0.278 -0.175 0.453 5 C 13 0.1774 -0.203 0.963 0.4815 0.8713 0.095 0.8583 -0.4469 -0.2523 -0.001 -9.0E-4 0.0019 -0.551 -0.462 1.013 -0.197 -0.165 0.362 -0.184 -0.154 0.338 6 H 1 0.8189 0.0779 -0.5686 0.3547 0.7102 0.6081 -0.4512 0.6997 -0.554 -0.024 -0.0232 0.0472 -4.114 -3.967 8.081 -1.468 -1.416 2.883 -1.372 -1.323 2.696 7 B 11 0.7771 0.0098 -0.6293 0.6278 0.0586 0.7761 -0.0445 0.9982 -0.0394 -0.0052 -0.0026 0.0078 -2.786 -1.398 4.184 -0.994 -0.499 1.493 -0.929 -0.466 1.396 8 H 1 0.9993 0.0383 0.0026 -0.0338 0.8441 0.5352 0.0183 -0.5349 0.8447 -0.0062 -0.0036 0.0098 -3.298 -1.909 5.207 -1.177 -0.681 1.858 -1.1 -0.637 1.737 9 H 1 0.091 -0.5622 0.822 0.8451 0.4802 0.2349 -0.5268 0.6733 0.5188 -0.0053 0.001 0.0044 -0.205 0.037 0.168 -0.073 0.013 0.06 -0.068 0.012 0.056 10 N 14 -0.6186 0.0818 0.7814 0.7285 0.4322 0.5315 -0.2943 0.8981 -0.327 -0.0273 -0.0183 0.0456 -3.663 -2.458 6.121 -1.307 -0.877 2.184 -1.222 -0.82 2.042 11 C 13 -0.448 -0.4808 0.7538 0.8939 -0.2286 0.3855 -0.0131 0.8465 0.5322 -0.0088 -0.0085 0.0173 -4.67 -4.552 9.223 -1.667 -1.624 3.291 -1.558 -1.518 3.076 12 H 1 -0.4657 0.4839 0.7409 0.6046 -0.4374 0.6657 0.6462 0.758 -0.0889 -0.0094 -0.0089 0.0184 -5.025 -4.773 9.798 -1.793 -1.703 3.496 -1.676 -1.592 3.268 13 H 1 0.795 0.4193 -0.4384 -0.0677 0.7794 0.6228 0.6028 -0.4655 0.648 -0.4923 -0.4747 0.967 -66.063 -63.701 129.764 -23.573 -22.73 46.303 -22.036 -21.248 43.285 14 C 13 0.726 0.6641 -0.1789 0.6615 -0.6031 0.4457 -0.1881 0.4419 0.8772 -0.0621 -0.0043 0.0664 -33.159 -2.294 35.454 -11.832 -0.819 12.651 -11.061 -0.765 11.826 15 H 1 0.7183 -0.0059 -0.6957 0.2727 0.9224 0.2737 0.6401 -0.3863 0.6641 -0.338 -0.2974 0.6354 24.459 21.518 -45.977 8.728 7.678 -16.406 8.159 7.178 -15.336 16 O 17 0.4241 -0.5363 0.7297 -0.6093 0.4271 0.668 0.67 0.728 0.1457 -0.0094 -0.008 0.0175 -1.268 -1.078 2.345 -0.452 -0.384 0.837 -0.423 -0.359 0.782 17 C 13 -0.3049 0.5661 0.7659 0.5662 -0.5389 0.6237 0.7658 0.6238 -0.1562 -0.0058 -0.0044 0.0101 -3.07 -2.331 5.401 -1.095 -0.832 1.927 -1.024 -0.778 1.802 18 H 1 0.2516 0.018 0.9677 0.8903 -0.3963 -0.2241 0.3795 0.9179 -0.1157 -0.008 -0.0065 0.0145 -4.288 -3.473 7.761 -1.53 -1.239 2.769 -1.43 -1.158 2.589 19 H 1 0.0058 -0.4872 0.8732 0.784 -0.5398 -0.3064 0.6207 0.6864 0.3789 -0.0062 -0.0058 0.012 -3.301 -3.083 6.384 -1.178 -1.1 2.278 -1.101 -1.028 2.13 20 H 1 -0.099 0.9685 0.2285 -0.4532 -0.2483 0.8561 0.8859 -0.0188 0.4635 -0.0014 -0.0011 0.0025 -0.756 -0.591 1.347 -0.27 -0.211 0.481 -0.252 -0.197 0.449 21 H 1 0.6343 0.76 -0.1412 -0.4996 0.5424 0.6755 0.59 -0.3579 0.7238 -0.0047 -0.0022 0.0069 -2.501 -1.194 3.695 -0.892 -0.426 1.319 -0.834 -0.398 1.233 22 H 1 -0.1706 -0.418 0.8923 0.8191 0.4431 0.3643 -0.5476 0.793 0.2668 -0.0021 -0.0017 0.0038 -1.11 -0.918 2.028 -0.396 -0.328 0.724 -0.37 -0.306 0.677 23 H 1 0.1824 0.8724 -0.4534 -0.3 0.4886 0.8193 0.9363 -0.0134 0.3508 -6.0E-4 -4.0E-4 0.001 -0.079 -0.06 0.138 -0.028 -0.021 0.049 -0.026 -0.02 0.046 24 C 13 0.0943 0.8263 -0.5552 0.2959 0.5092 0.8082 0.9506 -0.2405 -0.1965 -5.0E-4 -4.0E-4 0.001 -0.073 -0.058 0.131 -0.026 -0.021 0.047 -0.024 -0.019 0.044 25 C 13 -0.1662 0.3882 0.9065 0.0528 0.9214 -0.3849 0.9847 0.0161 0.1737 -3.0E-4 -3.0E-4 6.0E-4 -0.039 -0.035 0.075 -0.014 -0.013 0.027 -0.013 -0.012 0.025 26 C 13 -0.0651 0.6966 0.7145 0.3841 0.6784 -0.6263 0.921 -0.2337 0.3117 -5.0E-4 -4.0E-4 8.0E-4 -0.242 -0.211 0.453 -0.086 -0.075 0.162 -0.081 -0.071 0.151 27 H 1 0.2136 0.7988 -0.5624 -0.3215 0.6011 0.7316 0.9225 0.0246 0.3852 -5.0E-4 -5.0E-4 0.001 -0.282 -0.251 0.533 -0.101 -0.089 0.19 -0.094 -0.084 0.178 28 H 1 0.2028 0.7519 0.6273 0.0337 -0.6456 0.763 0.9786 -0.1336 -0.1562 -3.0E-4 -3.0E-4 5.0E-4 -0.038 -0.036 0.074 -0.013 -0.013 0.026 -0.013 -0.012 0.025 29 C 13 -0.1438 -0.5867 0.797 0.3686 0.7156 0.5933 0.9184 -0.3791 -0.1134 -4.0E-4 -4.0E-4 8.0E-4 -0.226 -0.224 0.45 -0.081 -0.08 0.161 -0.075 -0.075 0.15 30 H 1 0.2167 0.974 -0.0665 0.3201 -0.0065 0.9474 0.9223 -0.2266 -0.3132 -6.0E-4 -5.0E-4 0.0011 -0.297 -0.275 0.572 -0.106 -0.098 0.204 -0.099 -0.092 0.191 31 H 1 -0.2142 0.5467 0.8095 0.1656 0.837 -0.5215 0.9627 -0.0223 0.2698 -2.0E-4 -2.0E-4 4.0E-4 -0.113 -0.11 0.222 -0.04 -0.039 0.079 -0.038 -0.037 0.074 32 H 1 -0.1566 0.1517 0.976 -0.0989 0.9808 -0.1683 0.9827 0.1229 0.1386 -3.0E-4 -3.0E-4 5.0E-4 -0.148 -0.141 0.289 -0.053 -0.05 0.103 -0.049 -0.047 0.096 33 H 1 0.2879 0.6494 0.7038 -0.007 0.7364 -0.6766 0.9576 -0.1899 -0.2166 -2.0E-4 -2.0E-4 4.0E-4 -0.115 -0.113 0.228 -0.041 -0.04 0.081 -0.039 -0.038 0.076 34 H 1 0.1143 0.7883 0.6045 0.16 -0.6152 0.772 0.9805 0.0085 -0.1964 -3.0E-4 -3.0E-4 6.0E-4 -0.152 -0.145 0.296 -0.054 -0.052 0.106 -0.051 -0.048 0.099 35 H 1 0.0311 0.3778 0.9254 0.9074 0.3776 -0.1847 -0.4192 0.8454 -0.3311 -0.0018 -5.0E-4 0.0023 -0.07 -0.019 0.089 -0.025 -0.007 0.032 -0.023 -0.006 0.03 36 N 14 2.35814586e+00 8.56948708e-01 1.18662735e-02 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 6 6 6 6 6 1 5 1 1 7 6 1 1 6 1 8 6 1 1 1 1 1 1 6 6 6 1 1 6 1 1 1 1 1 1 7 8 0.002440871 0.000204927 -0.003044920 0.004464817 0.002609889 0.004556486 0.055365553 0.024419732 -0.010328553 0.001729185 -0.000835536 -0.006509951 0.001695882 0.002866143 0.002613081 -0.005060312 -0.001326800 0.002583488 -0.000229972 0.000313156 -0.000214114 0.000031003 -0.000110589 -0.000020408 0.000040029 -0.000040472 0.000086904 -0.001523638 -0.001198753 -0.000208638 -0.000100086 -0.000294539 0.000169131 -0.000027314 0.000021567 -0.000044835 -0.000052433 0.000024800 -0.000055712 0.000264355 0.000091053 -0.000086593 -0.000034914 0.000008720 0.000021374 -0.000437492 -0.000441558 0.000082852 0.000408064 0.000482963 -0.000080050 -0.000007451 -0.000127484 0.000094582 -0.000093833 -0.000059427 0.000015312 -0.000080134 -0.000006841 -0.000034027 -0.001591031 -0.000207836 -0.000981828 0.000622722 0.000343688 0.000083760 0.000613635 -0.000065428 -0.000204175 -0.014846770 -0.003205033 -0.011365626 -0.008550117 0.001235837 0.018760443 0.013457563 -0.001760891 -0.037022952 0.000980365 0.008721531 -0.000653501 0.005866217 -0.004293708 -0.012704924 0.022908692 0.004236659 0.032117465 0.001893905 0.008348053 -0.001241924 0.009129349 -0.000776078 0.011335013 -0.003833224 -0.000326083 -0.016938575 0.000629332 -0.010671457 -0.002585963 0.000767223 0.002675280 0.017199677 0.001514973 -0.010227380 0.003987301 -0.044510065 -0.045512885 0.006757432 -0.043844949 0.024884781 0.003862967 0.055365553 0.011982410 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7541 0.7540 0.7540 0.7540 0.7540 0.7539 0.7540 0.7540 0.7540 0.7540 0.7540 0.7540 0.7540 0.7540 0.7540 open 1 1 1 -753.274914246467 -753.274914563097 -0.000000316630 -753.274914582530 -0.000000019434 -753.274914583033 -0.000000000502 -753.274914583311 -0.000000000278 -753.274914583317 -0.000000000006 -753.274914583332 -0.000000000015 -753.274914583 7 0.7540 7.453328721762e+02 -4.222140394203e+03 1.486533778668e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572602896 LenY= 1572476430 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7540 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 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 C C C C C H B H H N C H H C H O C H H H H H H C C C H H C H H H H H H N O 13 13 13 13 13 1 11 1 1 14 13 1 1 13 1 17 13 1 1 1 1 1 1 13 13 13 1 1 13 1 1 1 1 1 1 14 17 0.00270 -0.00029 0.00080 -0.00058 0.00093 0.00002 0.05083 0.00156 -0.00052 -0.00646 -0.02949 0.00500 0.00607 0.27651 -0.00518 0.05626 -0.00286 -0.00044 0.00175 0.00172 0.00002 -0.00006 -0.00007 -0.00002 -0.00000 0.00001 0.00003 0.00001 0.00002 0.00005 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00082 -0.00000 3.03435 -0.33106 0.89495 -0.65116 1.04380 0.10487 72.90589 6.95345 -2.32999 -2.08577 -33.15130 22.35160 27.11980 310.85511 -23.15299 -34.10365 -3.21575 -1.98151 7.83277 7.66949 0.10184 -0.27947 -0.30106 -0.02707 -0.00553 0.01292 0.12142 0.04817 0.02014 0.22905 0.05739 -0.00107 -0.00012 -0.00381 -0.00295 0.26541 0.00144 1.08273 -0.11813 0.31934 -0.23235 0.37245 0.03742 26.01463 2.48116 -0.83140 -0.74425 -11.82921 7.97561 9.67702 110.92083 -8.26156 -12.16903 -1.14746 -0.70705 2.79493 2.73667 0.03634 -0.09972 -0.10743 -0.00966 -0.00197 0.00461 0.04333 0.01719 0.00719 0.08173 0.02048 -0.00038 -0.00004 -0.00136 -0.00105 0.09471 0.00051 1.01215 -0.11043 0.29852 -0.21720 0.34817 0.03498 24.31879 2.31942 -0.77720 -0.69574 -11.05808 7.45569 9.04619 103.69010 -7.72301 -11.37575 -1.07266 -0.66096 2.61273 2.55827 0.03397 -0.09322 -0.10042 -0.00903 -0.00185 0.00431 0.04050 0.01607 0.00672 0.07640 0.01914 -0.00036 -0.00004 -0.00127 -0.00098 0.08853 0.00048 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 -0.004469 0.002984 -0.000049 0.002416 -0.001315 0.000907 -0.015319 -0.004265 -0.006237 0.002211 -0.021625 -0.008686 0.005788 -0.097231 -0.039737 -0.016311 0.006044 0.005741 -0.001541 0.002430 0.001433 -0.000951 -0.000490 0.000875 0.000756 0.000635 0.000604 0.001002 0.000581 0.000514 0.000710 0.000444 0.000696 0.000388 0.000622 -0.000723 0.000499 0.002733 -0.001983 0.001647 -0.000828 0.005012 -0.000007 0.015373 0.007781 0.000042 0.000186 0.037722 0.009937 0.003407 -0.073096 -0.008246 -0.106675 0.001990 -0.000827 0.009319 0.000793 -0.001250 -0.001751 0.002195 -0.000488 -0.000321 -0.000317 -0.000367 -0.000612 -0.000289 -0.000150 -0.000307 -0.000238 -0.000328 -0.000188 -0.000334 0.001485 -0.000243 0.001736 -0.001001 -0.001599 -0.001588 -0.003697 -0.000900 -0.000054 -0.003516 0.006195 -0.002397 -0.016096 -0.001252 -0.009195 0.170326 0.047983 0.122985 -0.008035 -0.004913 -0.007778 -0.003223 -0.000182 0.002702 -0.001705 -0.000387 -0.000435 -0.000317 -0.000237 -0.000390 -0.000292 -0.000363 -0.000403 -0.000207 -0.000369 -0.000200 -0.000287 -0.000762 -0.000257 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 -0.003686 -0.000261 -0.002727 -0.001805 -0.004453 -0.001202 -0.018705 0.000915 0.000679 -0.001816 -0.011395 0.001195 0.013691 -0.401927 -0.032014 -0.234434 0.012564 0.006644 0.008931 0.007394 -0.000362 -0.002851 -0.002303 -0.000107 -0.000450 0.000016 -0.000203 0.000035 -0.000152 -0.000426 -0.000517 0.000037 0.000144 -0.000146 -0.000060 -0.001436 -0.000061 0.003643 0.001139 0.001354 -0.000294 0.000412 -0.000458 0.014944 0.001201 -0.000858 -0.000102 0.009423 0.000819 -0.001319 0.509461 -0.003299 0.381081 0.002990 -0.001270 -0.001433 0.004889 0.001591 0.003769 -0.000683 0.000386 -0.000165 0.000148 0.000391 0.000629 -0.000113 -0.000026 -0.000317 0.000169 0.000073 -0.000112 -0.000209 0.000811 0.000016 -0.012082 0.000395 -0.003467 0.001419 -0.002989 0.000342 -0.030335 -0.000668 -0.005935 0.004088 -0.024349 0.011683 -0.001539 -0.509142 0.033760 -0.288437 0.003396 -0.001599 -0.001948 0.004555 -0.000275 -0.002543 0.001186 0.000031 0.000104 0.000003 -0.000073 0.000043 0.000014 0.000013 0.000151 0.000009 0.000005 0.000023 -0.000000 -0.003080 -0.000013 -0.018 0.6895 0.7241 0.9683 0.1926 -0.1593 -0.2493 0.6982 -0.6711 -0.0099 -0.0058 0.0157 -1.323 -0.779 2.102 -0.472 -0.278 0.75 -0.441 -0.26 0.701 1 C 13 0.1378 0.8958 -0.4226 -0.2152 0.4435 0.87 0.9668 -0.0289 0.2539 -0.0022 -0.0011 0.0033 -0.296 -0.145 0.442 -0.106 -0.052 0.158 -0.099 -0.048 0.147 2 C 13 0.1222 0.5726 0.8107 0.8691 0.3327 -0.366 -0.4793 0.7493 -0.457 -0.0038 -0.0017 0.0055 -0.516 -0.223 0.739 -0.184 -0.08 0.264 -0.172 -0.074 0.246 3 C 13 -0.1908 -0.673 0.7146 0.4329 0.5957 0.6766 0.881 -0.4384 -0.1776 -0.0028 -5.0E-4 0.0034 -0.382 -0.071 0.453 -0.136 -0.025 0.162 -0.127 -0.024 0.151 4 C 13 0.4147 0.4228 0.8058 0.8034 0.2456 -0.5424 -0.4272 0.8723 -0.2378 -0.0051 -0.003 0.008 -0.678 -0.396 1.075 -0.242 -0.141 0.383 -0.226 -0.132 0.358 5 C 13 0.1023 -0.2068 0.973 0.5843 0.8042 0.1094 0.8051 -0.5573 -0.2031 -0.001 -8.0E-4 0.0019 -0.545 -0.445 0.99 -0.194 -0.159 0.353 -0.182 -0.148 0.33 6 H 1 0.8817 0.0574 -0.4683 0.3123 0.6729 0.6706 -0.3536 0.7375 -0.5754 -0.0245 -0.0235 0.048 -4.19 -4.03 8.22 -1.495 -1.438 2.933 -1.398 -1.344 2.742 7 B 11 0.8025 -0.0866 -0.5903 0.5926 -4.0E-4 0.8055 0.07 0.9962 -0.051 -0.0052 -0.0026 0.0079 -2.799 -1.405 4.204 -0.999 -0.501 1.5 -0.934 -0.469 1.402 8 H 1 0.9966 -0.0766 0.032 0.0487 0.8514 0.5223 -0.0672 -0.5189 0.8522 -0.0063 -0.0036 0.0099 -3.37 -1.899 5.269 -1.203 -0.678 1.88 -1.124 -0.633 1.758 9 H 1 -0.1315 -0.6044 0.7858 0.7881 0.4171 0.4527 -0.6013 0.6788 0.4215 -0.0055 0.0012 0.0043 -0.213 0.046 0.167 -0.076 0.016 0.06 -0.071 0.015 0.056 10 N 14 -0.6526 0.1576 0.7411 0.7326 0.3807 0.5642 -0.1932 0.9112 -0.364 -0.0296 -0.0203 0.0499 -3.969 -2.723 6.691 -1.416 -0.972 2.388 -1.324 -0.908 2.232 11 C 13 0.9501 0.1192 -0.2882 0.307 -0.5217 0.796 0.0555 0.8448 0.5323 -0.0088 -0.0086 0.0174 -4.687 -4.585 9.271 -1.672 -1.636 3.308 -1.563 -1.529 3.093 12 H 1 -0.3335 0.4523 0.8272 0.5907 -0.5836 0.5572 0.7347 0.6745 -0.0725 -0.0095 -0.009 0.0185 -5.071 -4.793 9.864 -1.81 -1.71 3.52 -1.692 -1.599 3.29 13 H 1 0.8539 0.3194 -0.4109 0.0032 0.7863 0.6179 0.5204 -0.529 0.6704 -0.4927 -0.4749 0.9676 -66.115 -63.723 129.839 -23.592 -22.738 46.33 -22.054 -21.256 43.31 14 C 13 0.8041 0.5746 -0.1523 -0.5707 0.6743 -0.4686 -0.1666 0.4637 0.8702 -0.062 -0.0046 0.0666 -33.075 -2.462 35.538 -11.802 -0.879 12.681 -11.033 -0.821 11.854 15 H 1 0.7353 -0.0934 -0.6713 0.367 0.8876 0.2785 0.5698 -0.4511 0.6868 -0.3345 -0.2941 0.6286 24.204 21.282 -45.485 8.636 7.594 -16.23 8.073 7.099 -15.172 16 O 17 0.3436 -0.5953 0.7263 -0.569 0.4833 0.6654 0.7471 0.6419 0.1726 -0.0094 -0.0081 0.0175 -1.262 -1.09 2.352 -0.45 -0.389 0.839 -0.421 -0.364 0.785 17 C 13 -0.2658 0.6033 0.7519 0.474 -0.5974 0.6469 0.8395 0.5283 -0.1271 -0.0057 -0.0044 0.0101 -3.066 -2.33 5.397 -1.094 -0.832 1.926 -1.023 -0.777 1.8 18 H 1 0.2151 -0.0011 0.9766 0.8456 -0.5001 -0.1868 0.4886 0.8659 -0.1067 -0.0081 -0.0065 0.0146 -4.317 -3.472 7.789 -1.54 -1.239 2.779 -1.44 -1.158 2.598 19 H 1 -0.0762 -0.4865 0.8703 0.7292 -0.6226 -0.2842 0.6801 0.613 0.4022 -0.0062 -0.0058 0.012 -3.306 -3.088 6.395 -1.18 -1.102 2.282 -1.103 -1.03 2.133 20 H 1 -0.0437 0.9552 0.2928 -0.5327 -0.2703 0.802 0.8452 -0.1209 0.5206 -0.0013 -0.0011 0.0025 -0.703 -0.612 1.315 -0.251 -0.218 0.469 -0.235 -0.204 0.439 21 H 1 0.7333 0.6622 -0.1539 -0.4358 0.6317 0.6412 0.5218 -0.4031 0.7518 -0.0043 -0.0024 0.0067 -2.303 -1.262 3.565 -0.822 -0.45 1.272 -0.768 -0.421 1.189 22 H 1 0.1237 -0.2045 0.971 0.8663 0.4994 -0.0052 -0.4839 0.8419 0.239 -0.002 -0.0018 0.0039 -1.089 -0.967 2.057 -0.389 -0.345 0.734 -0.363 -0.323 0.686 23 H 1 0.2349 0.6986 -0.6758 -0.1442 0.7126 0.6866 0.9613 -0.0638 0.2681 -6.0E-4 -4.0E-4 0.001 -0.074 -0.059 0.133 -0.026 -0.021 0.047 -0.025 -0.02 0.044 24 C 13 0.1981 0.778 -0.5962 0.3103 0.5272 0.791 0.9298 -0.3417 -0.1369 -5.0E-4 -4.0E-4 9.0E-4 -0.069 -0.058 0.127 -0.025 -0.021 0.045 -0.023 -0.019 0.042 25 C 13 -0.1497 -0.0406 0.9879 -0.0227 0.999 0.0376 0.9885 0.0168 0.1505 -3.0E-4 -3.0E-4 7.0E-4 -0.046 -0.043 0.088 -0.016 -0.015 0.031 -0.015 -0.014 0.029 26 C 13 0.2761 0.933 -0.2309 -0.2926 0.3104 0.9045 0.9155 -0.1822 0.3587 -4.0E-4 -4.0E-4 8.0E-4 -0.218 -0.207 0.426 -0.078 -0.074 0.152 -0.073 -0.069 0.142 27 H 1 -0.2787 -0.5804 0.7652 -0.2287 0.8139 0.5341 0.9328 0.0261 0.3596 -7.0E-4 -6.0E-4 0.0012 -0.348 -0.317 0.664 -0.124 -0.113 0.237 -0.116 -0.106 0.222 28 H 1 0.2033 0.8739 0.4415 0.0347 -0.457 0.8888 0.9785 -0.1654 -0.1233 -3.0E-4 -3.0E-4 6.0E-4 -0.043 -0.041 0.083 -0.015 -0.015 0.03 -0.014 -0.014 0.028 29 C 13 0.0341 0.0092 0.9994 0.4386 0.8984 -0.0232 0.898 -0.4391 -0.0266 -4.0E-4 -4.0E-4 7.0E-4 -0.194 -0.191 0.386 -0.069 -0.068 0.138 -0.065 -0.064 0.129 30 H 1 0.2784 0.8895 -0.3624 0.3506 0.2571 0.9005 0.8942 -0.3777 -0.2403 -5.0E-4 -5.0E-4 0.001 -0.283 -0.258 0.541 -0.101 -0.092 0.193 -0.094 -0.086 0.18 31 H 1 -0.2383 0.0269 0.9708 -0.044 0.9983 -0.0384 0.9702 0.0519 0.2367 -2.0E-4 -2.0E-4 5.0E-4 -0.132 -0.128 0.26 -0.047 -0.046 0.093 -0.044 -0.043 0.087 32 H 1 -0.0921 0.188 0.9778 -0.1208 0.9727 -0.1984 0.9884 0.1364 0.0668 -4.0E-4 -3.0E-4 7.0E-4 -0.2 -0.185 0.385 -0.071 -0.066 0.137 -0.067 -0.062 0.128 33 H 1 0.288 0.7611 0.5812 7.0E-4 -0.6071 0.7946 0.9576 -0.2284 -0.1753 -2.0E-4 -2.0E-4 4.0E-4 -0.12 -0.116 0.237 -0.043 -0.041 0.084 -0.04 -0.039 0.079 34 H 1 0.1806 0.7651 0.6181 0.1271 -0.6413 0.7567 0.9753 -0.0581 -0.2131 -3.0E-4 -3.0E-4 7.0E-4 -0.186 -0.172 0.358 -0.066 -0.061 0.128 -0.062 -0.057 0.119 35 H 1 0.0875 0.5888 0.8035 0.9443 0.2077 -0.2551 -0.3171 0.7811 -0.5379 -0.0029 -0.0013 0.0042 -0.113 -0.049 0.162 -0.04 -0.017 0.058 -0.038 -0.016 0.054 36 N 14 PT12221.400S 2024-07-24T05:29:40.000 -19.28477 -19.26015 -14.50333 -14.49331 -10.38890 -10.37181 -10.37148 -10.36168 -10.36142 -10.36138 -10.36095 -10.33720 -10.32706 -10.32704 -10.30306 -10.23253 -6.78164 -1.17074 -1.13343 -1.08917 -1.07278 -0.92449 -0.90618 -0.88237 -0.83285 -0.82345 -0.79415 -0.74839 -0.74524 -0.73953 -0.68726 -0.67365 -0.65393 -0.62679 -0.62579 -0.60041 -0.59795 -0.57503 -0.56943 -0.56570 -0.56452 -0.55918 -0.55007 -0.54466 -0.52738 -0.51818 -0.50490 -0.50122 -0.49606 -0.47205 -0.45448 -0.45054 -0.44157 -0.43408 -0.42194 -0.41161 -0.39323 -0.38892 -0.37191 -0.36744 -0.34866 -0.32910 -0.31218 -0.20104 0.02312 0.03328 0.10841 0.13212 0.13681 0.14066 0.15667 0.16806 0.17109 0.17659 0.18404 0.18849 0.19448 0.20167 0.20666 0.20839 0.21457 0.22196 0.22575 0.23298 0.23592 0.24654 0.25117 0.25434 0.26082 0.27441 0.27730 0.29062 0.30293 0.30555 0.32333 0.32357 0.33681 0.34378 0.35947 0.37340 0.38398 0.39266 0.39889 0.42905 0.45401 0.46259 0.47525 0.49187 0.49757 0.50320 0.50551 0.51520 0.52034 0.52390 0.52932 0.53734 0.54540 0.55222 0.56338 0.56903 0.57290 0.58341 0.58747 0.60701 0.63337 0.64098 0.65179 0.65610 0.66686 0.68116 0.68501 0.69111 0.69354 0.69653 0.70292 0.70651 0.71100 0.71564 0.71768 0.72079 0.73550 0.74239 0.74631 0.74833 0.75352 0.75667 0.76161 0.76303 0.77402 0.78687 0.78831 0.78960 0.79578 0.80303 0.80763 0.81205 0.81928 0.83446 0.84010 0.84764 0.86811 0.87314 0.88140 0.89068 0.91809 0.92519 0.94158 0.97220 0.98858 0.99637 1.00464 1.03935 1.07527 1.09189 1.12131 1.14744 1.16047 1.16421 1.18857 1.19373 1.20331 1.21997 1.24684 1.25005 1.25411 1.26647 1.29301 1.29666 1.30738 1.32307 1.33518 1.34940 1.36812 1.37958 1.38383 1.40989 1.41543 1.43777 1.45433 1.46298 1.49831 1.50581 1.52949 1.54014 1.56474 1.56826 1.57518 1.59132 1.60441 1.60780 1.61948 1.62315 1.64338 1.67856 1.70132 1.71200 1.73419 1.77405 1.78320 1.78723 1.79479 1.79772 1.80483 1.80725 1.82447 1.84173 1.84381 1.85174 1.85875 1.86097 1.86504 1.86906 1.88001 1.88330 1.88751 1.89058 1.91262 1.91602 1.92666 1.93188 1.93464 1.94015 1.94695 1.95887 1.96078 1.97204 1.97934 1.98400 1.99077 1.99928 2.01294 2.02137 2.03475 2.04520 2.04923 2.05727 2.06735 2.08163 2.08811 2.11086 2.14281 2.15322 2.15964 2.17388 2.19733 2.21399 2.22492 2.23010 2.23880 2.23943 2.26570 2.29435 2.29939 2.30881 2.33963 2.35319 2.35706 2.39542 2.40278 2.40994 2.42495 2.43170 2.43565 2.43728 2.44211 2.47924 2.49247 2.51756 2.52538 2.55033 2.56776 2.58272 2.59353 2.63062 2.68508 2.70813 2.71854 2.72569 2.73626 2.74119 2.75029 2.76224 2.76385 2.78129 2.80025 2.80092 2.84898 2.88722 2.89295 2.90389 2.91086 2.91451 2.95132 2.95576 2.97569 2.98792 2.99220 2.99577 3.00654 3.03642 3.04561 3.05420 3.09312 3.12669 3.13552 3.17798 3.20213 3.20635 3.21877 3.23911 3.29049 3.32543 3.38825 3.46559 3.48297 3.60790 3.64229 3.73017 -19.28477 -19.25686 -14.50330 -14.49346 -10.38885 -10.37181 -10.37148 -10.36168 -10.36138 -10.36137 -10.36080 -10.33729 -10.32709 -10.32706 -10.29195 -10.23283 -6.78058 -1.17074 -1.12383 -1.08912 -1.07277 -0.92442 -0.90617 -0.88223 -0.83207 -0.81272 -0.79411 -0.74628 -0.74468 -0.73845 -0.68718 -0.67283 -0.64115 -0.62622 -0.62451 -0.60029 -0.59794 -0.57489 -0.56574 -0.56453 -0.56152 -0.55804 -0.54512 -0.54152 -0.52118 -0.51523 -0.50483 -0.49975 -0.49602 -0.47204 -0.45444 -0.44815 -0.43710 -0.42914 -0.42192 -0.39708 -0.38708 -0.37820 -0.37013 -0.36646 -0.33951 -0.32738 -0.30728 0.02257 0.03281 0.08426 0.10846 0.13224 0.13710 0.14099 0.15691 0.16825 0.17150 0.17678 0.18422 0.18862 0.19472 0.20249 0.20789 0.20883 0.21507 0.22274 0.22892 0.23565 0.24000 0.24810 0.25162 0.25480 0.26206 0.27464 0.27937 0.29081 0.30414 0.30627 0.32343 0.32394 0.33771 0.34503 0.35986 0.37886 0.38569 0.39662 0.40577 0.43140 0.45460 0.46304 0.47621 0.49280 0.49787 0.50432 0.50608 0.51931 0.52050 0.52641 0.53162 0.53840 0.54570 0.55636 0.56521 0.57006 0.57604 0.58784 0.59451 0.61017 0.63539 0.64749 0.65584 0.66065 0.67773 0.68247 0.68536 0.69142 0.69517 0.69744 0.70347 0.70802 0.71165 0.71594 0.71963 0.72216 0.73608 0.74301 0.74660 0.75028 0.75398 0.75681 0.76169 0.76365 0.77686 0.78770 0.78984 0.79213 0.79680 0.80467 0.81130 0.81335 0.82012 0.83511 0.84107 0.84837 0.86946 0.87524 0.88193 0.89358 0.92070 0.93087 0.94296 0.97393 0.98883 0.99667 1.00924 1.04100 1.07555 1.09209 1.12328 1.14903 1.16107 1.16886 1.18897 1.19444 1.20417 1.22295 1.24842 1.25130 1.25437 1.26672 1.29363 1.29729 1.30789 1.32342 1.33832 1.35069 1.36957 1.38035 1.38725 1.41035 1.41759 1.43973 1.45722 1.46452 1.50187 1.50647 1.53304 1.54305 1.56522 1.56858 1.57764 1.59343 1.60759 1.60828 1.62054 1.62610 1.64433 1.68284 1.70914 1.71259 1.73582 1.77418 1.78357 1.78779 1.79564 1.79801 1.80584 1.80880 1.82673 1.84206 1.84419 1.85260 1.85926 1.86133 1.86617 1.86936 1.88117 1.88450 1.88769 1.89173 1.91493 1.91956 1.92772 1.93288 1.93625 1.94094 1.95134 1.95976 1.96289 1.97346 1.98077 1.98513 1.99110 2.00724 2.01976 2.02697 2.03962 2.04668 2.05209 2.05809 2.07118 2.08598 2.08908 2.11671 2.14356 2.15407 2.16467 2.18031 2.19880 2.21586 2.22898 2.23489 2.23942 2.26073 2.26845 2.29595 2.30166 2.31349 2.34042 2.35486 2.35736 2.39562 2.40321 2.41173 2.42574 2.43456 2.43721 2.43827 2.44276 2.48074 2.49466 2.51817 2.52540 2.55370 2.56939 2.58521 2.59419 2.63261 2.68607 2.70843 2.72007 2.73000 2.73652 2.74254 2.75522 2.76337 2.76405 2.78162 2.80034 2.80099 2.84906 2.88798 2.89553 2.90586 2.91298 2.91535 2.95145 2.95582 2.98467 2.99085 2.99299 2.99779 3.00714 3.03654 3.05313 3.05955 3.09341 3.12812 3.13640 3.17808 3.20637 3.21184 3.21888 3.24896 3.29059 3.32552 3.38826 3.46577 3.49040 3.60790 3.64867 3.73021 2-A. 3.17220271e+00 7.16588395e-01 -2.39474848e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 8.0629 1.8214 -0.0609 8.2663 -134.0702 -102.1553 -98.6792 -7.4306 -0.2804 9.1787 -22.4353 9.4796 12.9556 -7.4306 -0.2804 9.1787 123.3953 34.4796 -5.6451 40.4552 37.0180 -14.1575 39.9058 5.5045 -12.6711 -6.4517 -6321.1318 -1034.7963 -590.3106 -170.9931 30.5584 -92.0296 20.0837 13.4809 29.6791 -1144.1820 -995.4876 -267.1273 99.6510 25.3890 -15.5638 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 2-A -753.2749146 0.753968 0. 0.750012 4.798E-9 3.218E-6 -17.0515344,3.5621238,13.4894106,-4.0159137,1.2624723,5.2005393 C01 [X(C12H20B1N2O2)] 3.1975101 0.582705 -0.1154415 -0.000001369 -0.000001048 0.000000897 -0.000001389 -0.000001284 0.000005650 -0.000010944 -0.000007118 -0.000008366 0.000005442 0.000003974 -0.000001192 -0.000002598 0.000000213 -0.000002802 0.000002531 -0.000000229 0.000000260 0.000004932 0.000000922 -0.000004875 -0.000000208 -0.000001652 -0.000002339 -0.000001573 -0.000001545 -0.000002598 0.000001953 0.000001273 0.000001320 -0.000001877 -0.000002712 -0.000003127 0.000000209 0.000000372 -0.000001911 0.000000136 -0.000001372 -0.000002031 0.000001893 0.000001198 -0.000001994 -0.000001516 -0.000001973 -0.000000927 -0.000000400 -0.000002997 0.000000736 -0.000000692 0.000000338 0.000000162 -0.000000678 -0.000000158 0.000000562 -0.000001054 -0.000000995 0.000000490 -0.000001158 -0.000000806 0.000000129 -0.000000008 -0.000000366 -0.000002748 -0.000001064 -0.000000903 -0.000001895 -0.000000266 -0.000000215 -0.000000224 0.000006691 0.000002094 0.000007113 -0.000009209 -0.000002909 0.000003490 0.000002367 -0.000002257 -0.000002549 -0.000002635 -0.000000032 -0.000000038 -0.000003874 0.000001329 0.000000161 0.000005360 0.000002630 0.000003586 0.000004671 0.000000285 -0.000000303 -0.000001440 0.000002565 0.000002215 0.000000494 0.000000725 0.000002617 -0.000001880 0.000000742 0.000004455 0.000000612 0.000002684 0.000001333 0.000002020 0.000002308 -0.000000019 0.000013002 0.000004493 -0.000000914 -0.000006482 0.000002424 0.000005675 214.95159999999993 AuxInfo=1/0/N:17,2,4,11,1,5,24,25,14,26,29,3,7,36,10,16,37/E:(2,3)(5,6)(7,8)(10,11)/CRV:2.3,3.3,5.3,6.3,9.3,12.3,13.4/rA:37nC3C3C3C3C3HB4HHNCHHC3HOCHHHHHHCCCHHCHHHHHHNO/rB:s1;s2;s3;s4;s4;;s7;s7;s1s5s7;s7;s11;s11;s11;s14;s14;s16;s17;s17;s17;s2;s1;s5;;;s24;s24;s24;s25;s25;s25;s26;s26;s29;s29;s3s24s25;s26s29;/rC:-.4038,-.9482,1.1623;.9416,-.6667,1.0415;1.59,-.809,-.2069;.781,-1.3121,-1.2543;-.5559,-1.5649,-1.0389;1.1747,-1.5008,-2.2496;-2.7545,-1.4879,.2774;-3.0976,-2.4762,-.3679;-2.9808,-1.6061,1.4804;-1.1552,-1.3842,.145;-3.3708,-.0892,-.343;-3.2705,-.0725,-1.4441;-4.4522,-.0874,-.125;-2.7574,1.1448,.2026;-2.8708,1.401,1.2689;-1.5411,1.4713,-.3392;-.8702,2.5279,.2743;.0715,2.6911,-.2682;-1.4637,3.4601,.2503;-.6313,2.2988,1.3322;1.4669,-.3325,1.9325;-.9292,-.8234,2.1101;-1.2013,-1.9285,-1.8401;3.7659,-.2333,.7615;3.6163,-.9387,-1.582;5.0171,.5389,.367;4.0503,-1.1886,1.2442;3.2281,.3707,1.5026;4.8762,-.1205,-1.8271;3.8778,-2.0105,-1.4862;2.9753,-.8267,-2.4645;5.7052,.5835,1.2221;4.736,1.5766,.0948;5.4575,-.577,-2.6397;4.5921,.9051,-2.1388;2.91,-.4824,-.3912;5.6951,-.0715,-.6935; Gaussian 16 GINC-NODO01 NSF coments ES64L-G16RevC.02 105 C1[X(C12H20BN2O2)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP 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 0 214.95159999999993 AuxInfo=1/0/N:17,2,4,11,1,5,24,25,14,26,29,3,7,36,10,16,37/E:(2,3)(5,6)(7,8)(10,11)/CRV:2.3,3.3,5.3,6.3,9.3,12.3,13.4/rA:37nC3C3C3C3C3HB4HHNCHHC3HOCHHHHHHCCCHHCHHHHHHNO/rB:s1;s2;s3;s4;s4;;s7;s7;s1s5s7;s7;s11;s11;s11;s14;s14;s16;s17;s17;s17;s2;s1;s5;;;s24;s24;s24;s25;s25;s25;s26;s26;s29;s29;s3s24s25;s26s29;/rC:-.4038,-.9482,1.1623;.9416,-.6667,1.0415;1.59,-.809,-.2069;.781,-1.3121,-1.2543;-.5559,-1.5649,-1.0389;1.1747,-1.5008,-2.2496;-2.7545,-1.4879,.2774;-3.0976,-2.4762,-.3679;-2.9808,-1.6061,1.4804;-1.1552,-1.3842,.145;-3.3708,-.0892,-.343;-3.2705,-.0725,-1.4441;-4.4522,-.0874,-.125;-2.7574,1.1448,.2026;-2.8708,1.401,1.2689;-1.5411,1.4713,-.3392;-.8702,2.5279,.2743;.0715,2.6911,-.2682;-1.4637,3.4601,.2504;-.6313,2.2988,1.3322;1.4669,-.3325,1.9325;-.9292,-.8234,2.1101;-1.2013,-1.9285,-1.8401;3.7659,-.2333,.7615;3.6163,-.9387,-1.582;5.0171,.5389,.367;4.0503,-1.1886,1.2442;3.2281,.3707,1.5026;4.8762,-.1205,-1.8271;3.8778,-2.0105,-1.4862;2.9753,-.8267,-2.4645;5.7052,.5835,1.2221;4.736,1.5766,.0948;5.4575,-.577,-2.6397;4.5921,.9051,-2.1388;2.91,-.4824,-.3912;5.6951,-.0715,-.6935; coments 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 12 12 12 12 12 1 11 1 1 14 12 1 1 12 1 16 12 1 1 1 1 1 1 12 12 12 1 1 12 1 1 1 1 1 1 14 16 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 11.0093053 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 15.9949146 0 0 0 0 0 1 3 1 1 2 0 1 1 0 1 0 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 2 0 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 2.7500000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 5.6000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "50_OMe_p.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 1 1 1 2 2 3 3 4 4 5 5 7 7 7 7 11 11 11 14 14 16 17 17 17 24 24 24 24 25 25 25 25 26 26 26 29 29 29 2 10 22 3 21 4 36 5 6 10 23 8 9 10 11 12 13 14 15 16 17 18 19 20 26 27 28 36 29 30 31 36 32 33 37 34 35 37 1.3799 1.3378 1.0908 1.4139 1.0869 1.4159 1.3723 1.3776 1.0869 1.3391 1.0912 1.2292 1.2298 1.6082 1.6496 1.1057 1.1031 1.4821 1.1026 1.3709 1.3939 1.099 1.1053 1.1084 1.5223 1.1075 1.0968 1.4572 1.5221 1.1074 1.0965 1.4577 1.0985 1.109 1.3989 1.0985 1.1089 1.3993 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 10 1 1 3 2 2 4 3 3 5 4 4 10 8 8 8 9 9 10 1 1 5 7 7 7 12 12 13 11 11 15 14 16 16 16 18 18 19 26 26 26 27 27 28 29 29 29 30 30 31 24 24 24 32 32 33 25 25 25 34 34 35 3 3 24 26 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 7 7 7 10 10 10 11 11 11 11 11 11 14 14 14 16 17 17 17 17 17 17 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 29 29 29 29 29 29 36 36 36 37 10 22 22 3 21 21 4 36 36 5 6 6 10 23 23 9 10 11 10 11 11 5 7 7 12 13 14 13 14 14 15 16 16 17 18 19 20 19 20 20 27 28 36 28 36 36 30 31 36 31 36 36 32 33 37 33 37 37 34 35 37 35 37 37 24 25 25 29 123.1984 121.4909 115.3105 120.2581 117.5255 122.2157 115.2709 122.3986 122.3305 120.2714 122.1545 117.5694 123.2122 121.356 115.4316 112.6371 106.6287 112.3366 105.6461 112.3784 106.6144 117.7074 121.1281 120.6061 110.697 107.0557 114.3829 106.6018 108.4471 109.3682 120.4601 114.835 114.7181 115.6975 107.9197 111.7952 111.5336 108.9167 108.4943 108.1043 109.8428 107.384 111.3706 107.8472 110.372 109.9153 109.7969 107.4189 111.3673 107.8486 110.2863 110.0178 109.4916 109.264 111.9289 108.1721 107.7132 110.1867 109.4989 109.2925 111.8863 108.1777 107.7074 110.1946 119.9559 120.0877 114.5319 110.2314 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 D90 10 10 22 22 2 2 22 22 1 1 21 21 2 2 36 36 2 2 4 4 3 3 6 6 4 4 23 23 8 8 9 9 11 11 8 8 8 9 9 9 10 10 10 7 7 12 12 13 13 11 15 14 14 14 27 27 27 28 28 28 36 36 36 26 26 27 27 28 28 30 30 30 31 31 31 36 36 36 29 29 30 30 31 31 24 32 33 25 34 35 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 14 14 16 16 16 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 26 26 26 29 29 29 2 2 2 2 10 10 10 10 3 3 3 3 4 4 4 4 36 36 36 36 5 5 5 5 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 16 16 17 17 17 26 26 26 26 26 26 26 26 26 36 36 36 36 36 36 29 29 29 29 29 29 29 29 29 36 36 36 36 36 36 37 37 37 37 37 37 3 21 3 21 5 7 5 7 4 36 4 36 5 6 5 6 24 25 24 25 10 23 10 23 1 7 1 7 1 5 1 5 1 5 12 13 14 12 13 14 12 13 14 15 16 15 16 15 16 17 17 18 19 20 32 33 37 32 33 37 32 33 37 3 25 3 25 3 25 34 35 37 34 35 37 34 35 37 3 24 3 24 3 24 29 29 29 26 26 26 1.2391 -179.0568 -178.5737 1.1304 0.7149 -170.7651 -179.4617 9.0583 -3.0743 176.9074 177.2358 -2.7824 3.1482 -177.6545 -176.8335 2.3637 12.6005 165.1939 -167.419 -14.8257 -1.3937 178.4206 179.373 -0.8127 -0.636 170.8906 179.5395 -8.9339 -144.7844 43.9815 -24.7318 164.034 95.0149 -76.2192 -44.2691 71.541 -167.132 -172.525 -56.7149 64.6121 72.1837 -172.0062 -50.6792 -64.5348 79.242 171.3922 -44.831 55.51 -160.7133 -172.2204 -26.3283 -178.9889 -59.236 61.9333 -49.2854 -167.5899 70.0826 67.7408 -50.5638 -172.8912 -171.8751 69.8204 -52.5071 -161.2899 44.6738 76.4252 -77.6111 -42.4078 163.5559 49.4803 167.8128 -69.8584 -67.5426 50.7899 173.1187 171.9272 -69.7403 52.5885 161.2722 -44.7286 -76.5633 77.4359 42.2823 -163.7185 61.3027 -178.2878 -60.4966 -61.3394 178.2716 60.4727 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00166 0.00207 0.00259 0.00337 0.00410 0.00465 0.00476 0.00614 0.00811 0.00916 0.01314 0.01378 0.01747 0.02040 0.02109 0.02183 0.02324 0.02780 0.02839 0.03019 0.03027 0.03202 0.03536 0.04080 0.04108 0.04440 0.04723 0.04726 0.04769 0.04844 0.05848 0.06057 0.06552 0.06795 0.07896 0.08205 0.08556 0.08674 0.08813 0.09135 0.09354 0.10145 0.10667 0.10878 0.11028 0.11441 0.12092 0.12123 0.12408 0.12605 0.12919 0.13582 0.15414 0.16061 0.16744 0.17843 0.18013 0.18554 0.18865 0.19310 0.20407 0.20670 0.21186 0.21523 0.21804 0.21843 0.22502 0.23601 0.24872 0.26477 0.29170 0.29751 0.30338 0.31417 0.31613 0.31875 0.32008 0.32185 0.32959 0.33152 0.33439 0.33781 0.34007 0.34184 0.34709 0.34715 0.34802 0.35186 0.35267 0.37022 0.37109 0.37174 0.37515 0.37913 0.38750 0.38883 0.39912 0.42428 0.43138 0.46091 0.51662 0.52295 0.55828 0.57043 0.57555 Angle between quadratic step and forces= 71.99 degrees. 1 2 0.00015319 0.00000001 0.00000001 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 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 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 2.60759 2.52804 2.06123 2.67194 2.05400 2.67557 2.59318 2.60321 2.05394 2.53062 2.06206 2.32278 2.32399 3.03902 3.11727 2.08950 2.08460 2.80080 2.08353 2.59061 2.63414 2.07678 2.08879 2.09460 2.87681 2.09288 2.07274 2.75370 2.87632 2.09271 2.07208 2.75459 2.07590 2.09562 2.64361 2.07584 2.09547 2.64427 2.15022 2.12042 2.01255 2.09890 2.05121 2.13307 2.01186 2.13626 2.13507 2.09913 2.13200 2.05197 2.15046 2.11806 2.01466 1.96589 1.86102 1.96064 1.84387 1.96137 1.86077 2.05438 2.11408 2.10497 1.93203 1.86847 1.99636 1.86055 1.89276 1.90883 2.10243 2.00425 2.00221 2.01930 1.88355 1.95119 1.94663 1.90095 1.89358 1.88678 1.91712 1.87420 1.94378 1.88229 1.92635 1.91838 1.91632 1.87481 1.94373 1.88231 1.92486 1.92017 1.91099 1.90702 1.95353 1.88796 1.87995 1.92312 1.91112 1.90751 1.95278 1.88806 1.87985 1.92326 2.09363 2.09593 1.99896 1.92390 0.02163 -3.12513 -3.11670 0.01973 0.01248 -2.98041 -3.13220 0.15810 -0.05366 3.08762 3.09335 -0.04856 0.05495 -3.10066 -3.08633 0.04125 0.21992 2.88318 -2.92201 -0.25876 -0.02433 3.11403 3.13065 -0.01418 -0.01110 2.98260 3.13356 -0.15593 -2.52696 0.76762 -0.43165 2.86293 1.65832 -1.33028 -0.77264 1.24863 -2.91700 -3.01113 -0.98986 1.12769 1.25984 -3.00207 -0.88452 -1.12634 1.38303 2.99136 -0.78245 0.96883 -2.80498 -3.00581 -0.45951 -3.12395 -1.03386 1.08094 -0.86019 -2.92500 1.22317 1.18230 -0.88250 -3.01752 -2.99979 1.21860 -0.91642 -2.81504 0.77970 1.33387 -1.35457 -0.74016 2.85459 0.86359 2.92889 -1.21926 -1.17884 0.88645 3.02149 3.00070 -1.21720 0.91784 2.81473 -0.78066 -1.33628 1.35151 0.73796 -2.85743 1.06993 -3.11171 -1.05587 -1.07057 3.11143 1.05545 -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 -0.00001 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 -0.00001 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 -0.00001 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 0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00002 0.00001 0.00001 0.00000 -0.00002 0.00000 0.00000 -0.00002 -0.00000 0.00000 -0.00001 -0.00002 0.00001 0.00000 -0.00000 0.00002 -0.00002 0.00002 -0.00002 0.00001 -0.00002 0.00000 0.00001 -0.00000 0.00002 -0.00002 -0.00002 0.00001 0.00001 0.00001 -0.00002 0.00001 0.00002 0.00001 -0.00003 0.00002 -0.00000 -0.00002 0.00000 0.00001 -0.00000 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00003 0.00000 -0.00000 0.00001 -0.00001 -0.00003 -0.00003 0.00001 -0.00000 0.00002 0.00004 -0.00003 0.00001 -0.00002 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00003 -0.00002 -0.00002 0.00001 0.00001 -0.00001 -0.00005 0.00007 0.00002 0.00002 -0.00003 0.00004 -0.00001 0.00002 0.00004 -0.00000 0.00001 -0.00005 -0.00006 0.00000 -0.00001 0.00004 0.00008 0.00005 0.00009 0.00009 0.00014 0.00008 0.00013 -0.00000 0.00000 -0.00004 -0.00004 -0.00003 -0.00004 -0.00004 -0.00005 0.00007 0.00008 0.00006 0.00007 0.00005 0.00006 0.00002 0.00003 0.00001 0.00005 0.00007 0.00004 0.00004 0.00005 0.00003 -0.00007 -0.00010 -0.00008 -0.00011 -0.00009 -0.00012 -0.00006 -0.00009 0.00006 0.00006 0.00006 0.00010 0.00012 0.00011 0.00013 0.00015 0.00014 0.00009 0.00011 0.00010 -0.00012 -0.00014 -0.00016 -0.00017 -0.00014 -0.00016 -0.00007 -0.00007 -0.00006 -0.00008 -0.00009 -0.00007 -0.00004 -0.00005 -0.00004 0.00008 0.00010 0.00006 0.00009 0.00008 0.00011 0.00003 0.00004 0.00003 -0.00005 -0.00004 -0.00002 -0.00000 -0.00000 -0.00000 0.00001 -0.00001 -0.00001 0.00002 0.00001 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00002 0.00000 0.00000 -0.00000 0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 0.00001 0.00002 0.00001 0.00001 0.00000 -0.00002 0.00000 0.00000 -0.00002 -0.00000 0.00000 -0.00001 -0.00002 0.00001 0.00000 -0.00000 0.00002 -0.00002 0.00002 -0.00002 0.00001 -0.00002 0.00000 0.00001 -0.00000 0.00002 -0.00002 -0.00002 0.00001 0.00001 0.00001 -0.00002 0.00001 0.00002 0.00001 -0.00003 0.00002 -0.00000 -0.00002 0.00000 0.00001 -0.00000 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00003 0.00000 -0.00000 0.00001 -0.00001 -0.00003 -0.00003 0.00001 -0.00000 0.00002 0.00004 -0.00003 0.00001 -0.00002 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00003 -0.00002 -0.00002 0.00001 0.00001 -0.00001 -0.00005 0.00007 0.00002 0.00002 -0.00003 0.00004 -0.00001 0.00002 0.00004 -0.00000 0.00001 -0.00005 -0.00006 0.00000 -0.00001 0.00004 0.00008 0.00005 0.00009 0.00009 0.00014 0.00008 0.00013 -0.00000 0.00000 -0.00004 -0.00004 -0.00003 -0.00004 -0.00004 -0.00005 0.00007 0.00008 0.00006 0.00007 0.00005 0.00006 0.00002 0.00003 0.00001 0.00005 0.00007 0.00004 0.00004 0.00005 0.00003 -0.00007 -0.00010 -0.00008 -0.00011 -0.00009 -0.00012 -0.00006 -0.00009 0.00006 0.00006 0.00006 0.00010 0.00012 0.00011 0.00013 0.00015 0.00014 0.00009 0.00011 0.00010 -0.00012 -0.00014 -0.00016 -0.00017 -0.00014 -0.00016 -0.00007 -0.00007 -0.00006 -0.00008 -0.00009 -0.00007 -0.00004 -0.00005 -0.00004 0.00008 0.00010 0.00006 0.00009 0.00008 0.00011 0.00003 0.00004 0.00003 -0.00005 -0.00004 -0.00002 2.60759 2.52804 2.06123 2.67195 2.05399 2.67556 2.59320 2.60322 2.05394 2.53061 2.06206 2.32279 2.32399 3.03900 3.11727 2.08950 2.08459 2.80080 2.08353 2.59061 2.63414 2.07678 2.08879 2.09460 2.87681 2.09288 2.07275 2.75372 2.87633 2.09271 2.07208 2.75457 2.07590 2.09562 2.64359 2.07584 2.09548 2.64426 2.15020 2.12043 2.01255 2.09890 2.05123 2.13305 2.01187 2.13623 2.13508 2.09912 2.13200 2.05199 2.15046 2.11808 2.01465 1.96587 1.86103 1.96065 1.84388 1.96136 1.86078 2.05440 2.11410 2.10494 1.93205 1.86847 1.99634 1.86056 1.89276 1.90883 2.10241 2.00425 2.00221 2.01930 1.88355 1.95119 1.94663 1.90096 1.89358 1.88678 1.91715 1.87420 1.94378 1.88230 1.92634 1.91835 1.91628 1.87483 1.94373 1.88233 1.92490 1.92014 1.91099 1.90700 1.95354 1.88795 1.87995 1.92313 1.91111 1.90754 1.95276 1.88804 1.87986 1.92327 2.09362 2.09588 1.99903 1.92392 0.02165 -3.12516 -3.11665 0.01972 0.01250 -2.98038 -3.13220 0.15811 -0.05371 3.08756 3.09335 -0.04857 0.05499 -3.10057 -3.08628 0.04135 0.22001 2.88331 -2.92193 -0.25863 -0.02433 3.11403 3.13061 -0.01422 -0.01113 2.98256 3.13352 -0.15597 -2.52690 0.76770 -0.43159 2.86300 1.65837 -1.33022 -0.77262 1.24866 -2.91699 -3.01108 -0.98980 1.12774 1.25988 -3.00202 -0.88449 -1.12641 1.38294 2.99128 -0.78256 0.96874 -2.80509 -3.00587 -0.45961 -3.12389 -1.03380 1.08100 -0.86009 -2.92488 1.22328 1.18243 -0.88235 -3.01738 -2.99969 1.21871 -0.91632 -2.81516 0.77957 1.33371 -1.35474 -0.74030 2.85443 0.86353 2.92881 -1.21932 -1.17892 0.88636 3.02142 3.00065 -1.21725 0.91780 2.81481 -0.78056 -1.33622 1.35160 0.73805 -2.85732 1.06996 -3.11167 -1.05583 -1.07062 3.11139 1.05543 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000007 0.000002 0.000748 0.000153 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -2.622821e-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 1 1 1 2 2 3 3 4 4 5 5 7 7 7 7 11 11 11 14 14 16 17 17 17 24 24 24 24 25 25 25 25 26 26 26 29 29 29 2 10 22 3 21 4 36 5 6 10 23 8 9 10 11 12 13 14 15 16 17 18 19 20 26 27 28 36 29 30 31 36 32 33 37 34 35 37 1.3799 1.3378 1.0908 1.4139 1.0869 1.4159 1.3723 1.3776 1.0869 1.3391 1.0912 1.2292 1.2298 1.6082 1.6496 1.1057 1.1031 1.4821 1.1026 1.3709 1.3939 1.099 1.1053 1.1084 1.5223 1.1075 1.0968 1.4572 1.5221 1.1074 1.0965 1.4577 1.0985 1.109 1.3989 1.0985 1.1089 1.3993 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 10 1 1 3 2 2 4 3 3 5 4 4 10 8 8 8 9 9 10 1 1 5 7 7 7 12 12 13 11 11 15 14 16 16 16 18 18 19 26 26 26 27 27 28 29 29 29 30 30 31 24 24 24 32 32 33 25 25 25 34 34 35 3 3 24 26 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 7 7 7 7 7 7 10 10 10 11 11 11 11 11 11 14 14 14 16 17 17 17 17 17 17 24 24 24 24 24 24 25 25 25 25 25 25 26 26 26 26 26 26 29 29 29 29 29 29 36 36 36 37 10 22 22 3 21 21 4 36 36 5 6 6 10 23 23 9 10 11 10 11 11 5 7 7 12 13 14 13 14 14 15 16 16 17 18 19 20 19 20 20 27 28 36 28 36 36 30 31 36 31 36 36 32 33 37 33 37 37 34 35 37 35 37 37 24 25 25 29 123.1984 121.4909 115.3105 120.2581 117.5255 122.2157 115.2709 122.3986 122.3305 120.2714 122.1545 117.5694 123.2122 121.356 115.4316 112.6371 106.6287 112.3366 105.6461 112.3784 106.6144 117.7074 121.1281 120.6061 110.697 107.0557 114.3829 106.6018 108.4471 109.3682 120.4601 114.835 114.7181 115.6975 107.9197 111.7952 111.5336 108.9167 108.4943 108.1043 109.8428 107.384 111.3706 107.8472 110.372 109.9153 109.7969 107.4189 111.3673 107.8486 110.2863 110.0178 109.4916 109.264 111.9289 108.1721 107.7132 110.1867 109.4989 109.2925 111.8863 108.1777 107.7074 110.1946 119.9559 120.0877 114.5319 110.2314 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 D81 D82 D83 D84 D85 D86 D87 D88 D89 10 10 22 22 2 2 22 22 1 1 21 21 2 2 36 36 2 2 4 4 3 3 6 6 4 4 23 23 8 8 9 9 11 11 8 8 8 9 9 9 10 10 10 7 7 12 12 13 13 11 15 14 14 14 27 27 27 28 28 28 36 36 36 26 26 27 27 28 28 30 30 30 31 31 31 36 36 36 29 29 30 30 31 31 24 32 33 25 34 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 3 3 4 4 4 4 5 5 5 5 7 7 7 7 7 7 7 7 7 7 7 7 7 7 7 11 11 11 11 11 11 14 14 16 16 16 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 25 25 25 25 25 25 25 25 25 25 25 25 26 26 26 29 29 2 2 2 2 10 10 10 10 3 3 3 3 4 4 4 4 36 36 36 36 5 5 5 5 10 10 10 10 10 10 10 10 10 10 11 11 11 11 11 11 11 11 11 14 14 14 14 14 14 16 16 17 17 17 26 26 26 26 26 26 26 26 26 36 36 36 36 36 36 29 29 29 29 29 29 29 29 29 36 36 36 36 36 36 37 37 37 37 37 3 21 3 21 5 7 5 7 4 36 4 36 5 6 5 6 24 25 24 25 10 23 10 23 1 7 1 7 1 5 1 5 1 5 12 13 14 12 13 14 12 13 14 15 16 15 16 15 16 17 17 18 19 20 32 33 37 32 33 37 32 33 37 3 25 3 25 3 25 34 35 37 34 35 37 34 35 37 3 24 3 24 3 24 29 29 29 26 26 1.2391 -179.0568 -178.5737 1.1304 0.7149 -170.7651 -179.4617 9.0583 -3.0743 176.9074 177.2358 -2.7824 3.1482 -177.6545 -176.8335 2.3637 12.6005 165.1939 -167.419 -14.8257 -1.3937 178.4206 179.373 -0.8127 -0.636 170.8906 179.5395 -8.9339 -144.7844 43.9815 -24.7318 164.034 95.0149 -76.2192 -44.2691 71.541 -167.132 -172.525 -56.7149 64.6121 72.1837 -172.0062 -50.6792 -64.5348 79.242 171.3922 -44.831 55.51 -160.7133 -172.2204 -26.3283 -178.9889 -59.236 61.9333 -49.2854 -167.5899 70.0826 67.7408 -50.5638 -172.8912 -171.8751 69.8204 -52.5071 -161.2899 44.6738 76.4252 -77.6111 -42.4078 163.5559 49.4803 167.8128 -69.8584 -67.5426 50.7899 173.1187 171.9272 -69.7403 52.5885 161.2722 -44.7286 -76.5633 77.4359 42.2823 -163.7185 61.3027 -178.2878 -60.4966 -61.3394 178.2716 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 355 A 338 A 338 565 355 64 63 1237.0274997682 37 37 37 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0286709925 0.000000 1.379878 0.000000 2.422707 1.413930 0.000000 2.715919 2.390201 1.415852 0.000000 2.291047 2.716180 2.422542 1.377561 0.000000 3.799817 3.403218 2.196360 1.086900 2.113047 0.000000 2.569097 3.862629 4.423864 3.857067 2.563686 4.671703 0.000000 3.454381 4.644998 4.977862 4.145395 2.782220 4.769124 1.229164 0.000000 2.678564 4.057132 4.937048 4.660032 3.496928 5.584987 1.229804 2.046190 0.000000 1.337783 2.390652 2.826789 2.389953 1.339144 3.343047 1.608183 2.286579 2.272761 0.000000 3.436174 4.565962 5.014660 4.423083 3.253588 5.127350 1.649586 2.402740 2.403803 2.612361 0.000000 3.972165 4.926804 5.069296 4.241149 3.124186 4.738025 2.287580 2.639311 3.314909 2.953014 1.105717 0.000000 4.334486 5.548872 6.085713 5.491954 4.266070 6.178488 2.237285 2.756895 2.655035 3.553180 1.103121 1.771013 0.000000 3.292547 4.203323 4.783791 4.547375 3.705412 5.336073 2.633716 3.681386 3.041417 2.994339 1.482117 2.111021 2.120842 0.000000 3.408233 4.343008 5.192396 5.202211 4.413773 6.096467 3.056510 4.214645 3.016553 3.458898 2.251465 3.113072 2.580545 1.102557 0.000000 3.066232 3.555470 3.875706 3.738522 3.267800 4.456312 3.257140 4.243310 3.854058 2.921807 2.404740 2.567978 3.309004 1.370893 2.087833 0.000000 3.617918 3.751912 4.173608 4.450656 4.309797 5.175176 4.435899 5.514944 4.795767 3.924593 3.671975 3.933971 4.453076 2.340857 2.502328 1.393928 0.000000 3.939114 3.707724 3.815750 4.183366 4.370434 4.765995 5.074208 6.062453 5.553364 4.275872 4.425480 4.493151 5.310738 3.258085 3.561506 2.023236 1.098985 0.000000 4.624707 4.841685 5.268696 5.484150 5.266561 6.149921 5.113627 6.187974 5.429636 4.855228 4.072641 4.314431 4.653641 2.652632 2.693934 2.075802 1.105340 1.793648 0.000000 3.259332 3.369360 4.118378 4.660714 4.533803 5.525181 4.467550 5.636715 4.559590 3.904852 4.001657 4.505011 4.734546 2.669751 2.413536 2.075048 1.108414 1.791412 1.792149 0.000000 2.114652 1.086930 2.195273 3.403767 3.799977 4.352099 4.679172 5.542706 4.648444 3.343131 5.351714 5.823371 6.271291 4.797840 4.718130 4.178788 4.048881 3.991536 5.079529 3.418540 0.000000 1.090756 2.160147 3.422685 3.805553 3.256535 4.887946 2.670593 3.684265 2.284306 2.055989 3.538155 4.321753 4.236643 3.294638 3.070097 3.411589 3.821646 4.359979 4.700298 3.231403 2.452269 0.000000 3.257580 3.806357 3.422327 2.157026 1.091196 2.448653 2.662827 2.462376 3.781064 2.058896 3.214276 2.807773 4.110957 4.004923 4.851746 3.731886 4.943723 5.042960 5.785862 5.315845 4.888693 4.110871 0.000000 4.249454 2.870968 2.450198 3.759856 4.867483 4.169876 6.657612 7.308413 6.922303 5.091284 7.223099 7.375683 8.267023 6.690581 6.853718 5.681642 5.417972 4.822911 6.422650 5.106080 2.581927 4.920378 5.857898 0.000000 4.867495 3.756405 2.452232 2.878456 4.253727 2.592883 6.659282 6.993832 7.303739 5.093868 7.146771 6.942399 8.243038 6.938931 7.462168 5.826756 5.965850 5.240828 6.965099 6.084021 4.164032 5.857100 4.924964 2.451952 0.000000 5.677160 4.303228 3.727042 4.898863 6.120519 5.076528 8.032049 8.687838 8.355020 6.468713 8.441309 8.505146 9.502710 7.799747 7.985941 6.661676 6.214864 5.430833 7.109655 5.994421 3.976707 6.344468 7.044694 1.522344 2.818523 0.000000 4.461320 3.158654 2.881412 4.116504 5.154701 4.535766 6.879648 7.439644 7.047374 5.323823 7.668177 7.878209 8.682141 7.271431 7.389723 6.391075 6.242139 5.759355 7.280260 5.838414 2.807259 5.067345 6.135083 1.107505 2.870217 2.165339 0.000000 3.878871 2.552722 2.645153 4.052116 4.952147 4.668787 6.383304 7.184484 6.515955 4.912760 6.867533 7.149127 7.864169 6.173689 6.189683 5.229565 4.791433 4.299274 5.755432 4.317573 1.944503 4.367791 6.006569 1.096847 3.373343 2.125647 1.781640 0.000000 6.123713 4.899788 3.727970 4.303253 5.675799 3.972961 8.032795 8.441483 8.653191 6.470139 8.379508 8.155779 9.482414 7.999450 8.480317 6.777100 6.667127 5.780979 7.571675 6.794576 5.079666 7.049629 6.340674 2.818978 1.522081 2.295406 3.354988 3.747554 0.000000 5.145435 4.100776 2.883444 3.183040 4.478445 2.854718 6.882681 7.079791 7.483598 5.327645 7.585589 7.406484 8.656802 7.538785 8.048151 6.542404 6.799993 6.170570 7.840563 6.844343 4.507318 6.119580 5.092065 2.867631 1.107414 3.351379 2.856607 3.876168 2.164453 0.000000 4.958568 4.056359 2.648845 2.552482 3.879013 1.934614 6.386405 6.632974 7.186424 4.917420 6.731871 6.373390 7.822247 6.622972 7.285494 5.495076 5.791595 5.062655 6.741805 6.098462 4.674809 6.014310 4.364360 3.374137 1.096499 3.748534 3.878319 4.151563 2.125621 1.781302 0.000000 6.298379 4.928190 4.573354 5.828646 6.994935 6.076407 8.760706 9.454018 8.961414 7.217792 9.234529 9.386256 10.268279 8.542220 8.615003 7.465591 6.922060 6.196913 7.785393 6.565515 4.393977 6.839794 7.961593 2.154129 3.813599 1.098517 2.424797 2.502028 3.237411 4.171680 4.799224 0.000000 5.825098 4.508414 3.959682 5.079983 6.257680 5.258303 8.095203 8.831987 8.461556 6.593524 8.287781 8.318145 9.340245 7.506579 7.698888 6.293002 5.689175 4.809530 6.481372 5.555258 4.208192 6.474222 7.161093 2.158995 3.223660 1.108952 3.072079 2.389510 2.567819 4.012872 3.927641 1.787837 0.000000 6.996288 5.826883 4.574896 4.932430 6.300721 4.398585 8.762189 9.052984 9.446594 7.220309 9.135180 8.823902 10.235463 8.861530 9.410111 7.646445 7.627018 6.731484 8.517819 7.817892 6.073730 7.963068 6.841392 3.814241 2.153969 3.237250 4.176035 4.798640 1.098487 2.425028 2.500832 4.040072 3.554773 0.000000 6.268280 5.090285 3.960150 4.496936 5.814857 4.180814 8.095508 8.584879 8.760887 6.594503 8.223250 7.953539 9.318786 7.717155 8.219113 6.416844 6.188183 5.208149 6.993510 6.424516 5.279617 7.178106 6.456148 3.223426 2.159075 2.567810 4.015196 3.925000 1.108878 3.071882 2.391493 3.555021 2.336832 1.787816 0.000000 3.689473 2.441615 1.372251 2.442508 3.688358 2.738997 5.791835 6.329856 6.282305 4.198407 6.293355 6.282946 7.377631 5.926201 6.302502 4.861313 4.878021 4.259498 5.923212 4.821443 2.739553 4.594829 4.592759 1.457197 1.457665 2.461237 2.115088 2.101279 2.461352 2.114356 2.102701 3.398824 2.794612 3.399117 2.794341 0.000000 6.434978 5.095065 4.199033 5.099122 6.436137 4.989773 8.622302 9.121328 9.074729 7.025070 9.072670 8.996896 10.163169 8.586366 8.910293 7.407285 7.127134 6.279886 8.038080 7.052993 4.984152 7.232284 7.233426 2.421822 2.421276 1.398936 2.776346 3.332322 1.399285 2.773129 3.332244 2.024570 2.063366 2.024774 2.063707 2.831339 0.000000 C12H20BN2O2(2) 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 0 214.95159999999993 AuxInfo=1/0/N:17,2,4,11,1,5,24,25,14,26,29,3,7,36,10,16,37/E:(2,3)(5,6)(7,8)(10,11)/CRV:2.3,3.3,5.3,6.3,9.3,12.3,13.4/rA:37nC3C3C3C3C3HB4HHNCHHC3HOCHHHHHHCCCHHCHHHHHHNO/rB:s1;s2;s3;s4;s4;;s7;s7;s1s5s7;s7;s11;s11;s11;s14;s14;s16;s17;s17;s17;s2;s1;s5;;;s24;s24;s24;s25;s25;s25;s26;s26;s29;s29;s3s24s25;s26s29;/rC:-1.4825,-.383,1.4136;-.1417,-.0693,1.3238;.6314,-.5492,.2416;-.0529,-1.4003,-.6595;-1.3955,-1.6571,-.4885;.4434,-1.8621,-1.5091;-3.7149,-1.3147,.5486;-3.9595,-2.4733,.2188;-4.0551,-1.0698,1.7047;-2.1146,-1.1576,.5247;-4.3127,-.217,-.5279;-4.1045,-.5347,-1.5663;-5.4098,-.2154,-.4127;-3.7974,1.1608,-.3467;-4.0243,1.726,.5724;-2.545,1.3792,-.8596;-1.9734,2.6133,-.5538;-.9886,2.6593,-1.0394;-2.5922,3.4537,-.918;-1.833,2.7371,.5386;.2814,.5556,2.1061;-2.1029,-.0048,2.2271;-1.946,-2.2897,-1.1867;2.6805,.4316,1.1597;2.7869,-.9705,-.849;3.9383,1.1207,.6494;2.9472,-.3085,1.9392;2.0523,1.2,1.6266;4.0371,-.1911,-1.2316;3.073,-1.9419,-.401;2.2331,-1.1765,-1.7727;4.5366,1.4697,1.5021;3.6514,2.0041,.0436;4.7108,-.839,-1.8088;3.7516,.6684,-1.8713;1.9516,-.2139,.0755;4.7378,.2562,-.106; 1.0317566 0.2327004 0.2175407 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 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= 354 354 354 354 354 MxSgAt= 37 MxSgA2= 37. 1 open 1 1 1 -753.274914583320 -753.274914583 1 0.7540 7.453328712255e+02 -4.222140395984e+03 1.486533781399e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572602896 LenY= 1572476430 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7540 Using compressed storage, NAtomX= 37. Will process 38 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=1111111111111111111111111111111111111 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. 11202 words used for storage of precomputed grid. Two-electron integrals replicated using symmetry. MDV= 1572864000 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=T KAlg= 0 I1Cent= 0 FoldK=F IRaf= 1 NMat= 111 IRICut= 1 DoRegI=T DoRafI=F 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= 500 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 111 NMatS0= 111 NMatT0= 0 NMatD0= 111 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 114 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 111 vectors produced by pass 0 Test12= 3.49D-14 1.00D-09 XBig12= 1.93D+02 5.58D+00. AX will form 111 AO Fock derivatives at one time. 111 vectors produced by pass 1 Test12= 3.49D-14 1.00D-09 XBig12= 1.97D+01 7.97D-01. 111 vectors produced by pass 2 Test12= 3.49D-14 1.00D-09 XBig12= 4.90D-01 1.38D-01. 111 vectors produced by pass 3 Test12= 3.49D-14 1.00D-09 XBig12= 7.22D-03 9.80D-03. 111 vectors produced by pass 4 Test12= 3.49D-14 1.00D-09 XBig12= 7.58D-05 1.01D-03. 111 vectors produced by pass 5 Test12= 3.49D-14 1.00D-09 XBig12= 8.37D-07 1.30D-04. 111 vectors produced by pass 6 Test12= 3.49D-14 1.00D-09 XBig12= 8.15D-09 7.94D-06. 54 vectors produced by pass 7 Test12= 3.49D-14 1.00D-09 XBig12= 5.37D-11 3.98D-07. 7 vectors produced by pass 8 Test12= 3.49D-14 1.00D-09 XBig12= 4.49D-13 4.34D-08. 3 vectors produced by pass 9 Test12= 3.49D-14 1.00D-09 XBig12= 6.74D-15 6.94D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 841 with 114 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 166.96 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 222.161 14.728 141.214 -6.128 12.902 137.501 207.238 13.886 155.740 -7.174 20.109 165.335 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 C C C C C H B H H N C H H C H O C H H H H H H C C C H H C H H H H H H N O 13 13 13 13 13 1 11 1 1 14 13 1 1 13 1 17 13 1 1 1 1 1 1 13 13 13 1 1 13 1 1 1 1 1 1 14 17 0.00270 -0.00029 0.00080 -0.00058 0.00093 0.00002 0.05083 0.00156 -0.00052 -0.00646 -0.02949 0.00500 0.00607 0.27651 -0.00518 0.05626 -0.00286 -0.00044 0.00175 0.00172 0.00002 -0.00006 -0.00007 -0.00002 -0.00000 0.00001 0.00003 0.00001 0.00002 0.00005 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00082 -0.00000 3.03435 -0.33107 0.89496 -0.65118 1.04382 0.10488 72.90587 6.95342 -2.32999 -2.08577 -33.15134 22.35163 27.11986 310.85518 -23.15288 -34.10367 -3.21576 -1.98151 7.83278 7.66949 0.10184 -0.27947 -0.30107 -0.02707 -0.00553 0.01292 0.12142 0.04817 0.02014 0.22905 0.05739 -0.00107 -0.00012 -0.00381 -0.00295 0.26541 0.00144 1.08273 -0.11813 0.31934 -0.23236 0.37246 0.03742 26.01463 2.48115 -0.83140 -0.74425 -11.82922 7.97562 9.67704 110.92086 -8.26153 -12.16904 -1.14746 -0.70705 2.79493 2.73666 0.03634 -0.09972 -0.10743 -0.00966 -0.00197 0.00461 0.04333 0.01719 0.00719 0.08173 0.02048 -0.00038 -0.00004 -0.00136 -0.00105 0.09471 0.00051 1.01215 -0.11043 0.29853 -0.21721 0.34818 0.03498 24.31878 2.31941 -0.77720 -0.69574 -11.05810 7.45570 9.04621 103.69013 -7.72297 -11.37576 -1.07266 -0.66096 2.61273 2.55827 0.03397 -0.09322 -0.10043 -0.00903 -0.00185 0.00431 0.04050 0.01607 0.00672 0.07640 0.01914 -0.00036 -0.00004 -0.00127 -0.00098 0.08853 0.00048 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 -0.004469 0.002984 -0.000049 0.002416 -0.001315 0.000907 -0.015319 -0.004265 -0.006237 0.002211 -0.021625 -0.008686 0.005788 -0.097230 -0.039737 -0.016310 0.006044 0.005741 -0.001541 0.002430 0.001433 -0.000951 -0.000490 0.000875 0.000756 0.000635 0.000604 0.001002 0.000581 0.000514 0.000710 0.000444 0.000696 0.000388 0.000622 -0.000723 0.000499 0.002733 -0.001983 0.001647 -0.000828 0.005012 -0.000007 0.015373 0.007781 0.000042 0.000186 0.037721 0.009937 0.003407 -0.073096 -0.008246 -0.106675 0.001990 -0.000827 0.009319 0.000793 -0.001250 -0.001751 0.002195 -0.000488 -0.000321 -0.000317 -0.000367 -0.000612 -0.000289 -0.000150 -0.000307 -0.000238 -0.000328 -0.000188 -0.000334 0.001485 -0.000243 0.001736 -0.001001 -0.001599 -0.001588 -0.003697 -0.000900 -0.000054 -0.003516 0.006195 -0.002397 -0.016096 -0.001252 -0.009195 0.170327 0.047983 0.122986 -0.008035 -0.004913 -0.007778 -0.003223 -0.000182 0.002702 -0.001705 -0.000387 -0.000435 -0.000317 -0.000237 -0.000390 -0.000292 -0.000363 -0.000403 -0.000207 -0.000369 -0.000200 -0.000287 -0.000762 -0.000257 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 -0.003686 -0.000261 -0.002727 -0.001805 -0.004453 -0.001202 -0.018705 0.000915 0.000679 -0.001816 -0.011395 0.001195 0.013691 -0.401926 -0.032014 -0.234434 0.012564 0.006644 0.008931 0.007394 -0.000362 -0.002851 -0.002303 -0.000107 -0.000450 0.000016 -0.000203 0.000035 -0.000152 -0.000426 -0.000517 0.000037 0.000144 -0.000146 -0.000060 -0.001436 -0.000061 0.003643 0.001139 0.001354 -0.000294 0.000412 -0.000458 0.014944 0.001201 -0.000858 -0.000102 0.009423 0.000819 -0.001319 0.509461 -0.003299 0.381081 0.002990 -0.001270 -0.001433 0.004889 0.001591 0.003769 -0.000683 0.000386 -0.000165 0.000148 0.000391 0.000629 -0.000113 -0.000026 -0.000317 0.000169 0.000073 -0.000112 -0.000209 0.000811 0.000016 -0.012082 0.000395 -0.003467 0.001419 -0.002989 0.000342 -0.030335 -0.000668 -0.005935 0.004088 -0.024349 0.011683 -0.001539 -0.509142 0.033760 -0.288437 0.003396 -0.001599 -0.001948 0.004555 -0.000275 -0.002543 0.001186 0.000031 0.000104 0.000003 -0.000073 0.000043 0.000014 0.000013 0.000151 0.000009 0.000005 0.000023 -0.000000 -0.003080 -0.000013 -0.018 0.6895 0.7241 0.9683 0.1926 -0.1593 -0.2493 0.6982 -0.6711 -0.0099 -0.0058 0.0157 -1.323 -0.778 2.102 -0.472 -0.278 0.75 -0.441 -0.26 0.701 1 C 13 0.1378 0.8958 -0.4226 -0.2152 0.4435 0.87 0.9668 -0.0289 0.2539 -0.0022 -0.0011 0.0033 -0.296 -0.145 0.442 -0.106 -0.052 0.158 -0.099 -0.048 0.147 2 C 13 0.1222 0.5726 0.8107 0.8691 0.3327 -0.366 -0.4793 0.7493 -0.457 -0.0038 -0.0017 0.0055 -0.516 -0.223 0.739 -0.184 -0.08 0.264 -0.172 -0.074 0.246 3 C 13 -0.1908 -0.673 0.7146 0.4329 0.5957 0.6766 0.881 -0.4384 -0.1776 -0.0028 -5.0E-4 0.0034 -0.382 -0.071 0.453 -0.136 -0.025 0.162 -0.127 -0.024 0.151 4 C 13 0.4147 0.4228 0.8058 0.8034 0.2456 -0.5424 -0.4272 0.8723 -0.2378 -0.0051 -0.003 0.008 -0.678 -0.396 1.075 -0.242 -0.141 0.383 -0.226 -0.132 0.358 5 C 13 0.1023 -0.2068 0.973 0.5843 0.8042 0.1094 0.8051 -0.5573 -0.2031 -0.001 -8.0E-4 0.0019 -0.545 -0.445 0.99 -0.194 -0.159 0.353 -0.182 -0.148 0.33 6 H 1 0.8817 0.0574 -0.4683 0.3123 0.6729 0.6706 -0.3536 0.7375 -0.5754 -0.0245 -0.0235 0.048 -4.19 -4.03 8.22 -1.495 -1.438 2.933 -1.398 -1.344 2.742 7 B 11 0.8025 -0.0866 -0.5903 0.5926 -4.0E-4 0.8055 0.07 0.9962 -0.051 -0.0052 -0.0026 0.0079 -2.799 -1.405 4.204 -0.999 -0.501 1.5 -0.934 -0.469 1.402 8 H 1 0.9966 -0.0766 0.032 0.0487 0.8514 0.5223 -0.0672 -0.5189 0.8522 -0.0063 -0.0036 0.0099 -3.37 -1.899 5.269 -1.203 -0.678 1.88 -1.124 -0.633 1.758 9 H 1 -0.1315 -0.6044 0.7858 0.7881 0.4171 0.4527 -0.6013 0.6788 0.4215 -0.0055 0.0012 0.0043 -0.213 0.046 0.167 -0.076 0.016 0.06 -0.071 0.015 0.056 10 N 14 -0.6526 0.1576 0.7411 0.7326 0.3807 0.5642 -0.1932 0.9112 -0.364 -0.0296 -0.0203 0.0499 -3.969 -2.723 6.691 -1.416 -0.972 2.388 -1.324 -0.908 2.232 11 C 13 0.9501 0.1193 -0.2883 0.307 -0.5217 0.796 0.0555 0.8448 0.5323 -0.0088 -0.0086 0.0174 -4.687 -4.585 9.271 -1.672 -1.636 3.308 -1.563 -1.529 3.093 12 H 1 -0.3335 0.4523 0.8272 0.5907 -0.5836 0.5572 0.7347 0.6745 -0.0725 -0.0095 -0.009 0.0185 -5.071 -4.793 9.864 -1.81 -1.71 3.52 -1.692 -1.599 3.29 13 H 1 0.8539 0.3194 -0.4109 0.0032 0.7863 0.6179 0.5204 -0.529 0.6704 -0.4927 -0.4749 0.9676 -66.116 -63.723 129.839 -23.592 -22.738 46.33 -22.054 -21.256 43.31 14 C 13 0.8041 0.5746 -0.1523 -0.5707 0.6743 -0.4686 -0.1666 0.4637 0.8702 -0.062 -0.0046 0.0666 -33.075 -2.462 35.538 -11.802 -0.879 12.681 -11.033 -0.821 11.854 15 H 1 0.7353 -0.0934 -0.6713 0.367 0.8876 0.2785 0.5698 -0.4511 0.6868 -0.3345 -0.2941 0.6286 24.204 21.282 -45.485 8.636 7.594 -16.23 8.073 7.099 -15.172 16 O 17 0.3436 -0.5953 0.7263 -0.569 0.4833 0.6654 0.7471 0.6419 0.1726 -0.0094 -0.0081 0.0175 -1.262 -1.09 2.352 -0.45 -0.389 0.839 -0.421 -0.364 0.785 17 C 13 -0.2658 0.6033 0.7519 0.474 -0.5974 0.6469 0.8395 0.5283 -0.1271 -0.0057 -0.0044 0.0101 -3.066 -2.33 5.397 -1.094 -0.832 1.926 -1.023 -0.777 1.8 18 H 1 0.2151 -0.0011 0.9766 0.8456 -0.5001 -0.1868 0.4886 0.8659 -0.1067 -0.0081 -0.0065 0.0146 -4.317 -3.472 7.789 -1.54 -1.239 2.779 -1.44 -1.158 2.598 19 H 1 -0.0762 -0.4865 0.8703 0.7292 -0.6226 -0.2842 0.6801 0.613 0.4022 -0.0062 -0.0058 0.012 -3.306 -3.088 6.395 -1.18 -1.102 2.282 -1.103 -1.03 2.133 20 H 1 -0.0437 0.9552 0.2928 -0.5327 -0.2703 0.802 0.8452 -0.1209 0.5206 -0.0013 -0.0011 0.0025 -0.703 -0.612 1.315 -0.251 -0.218 0.469 -0.235 -0.204 0.439 21 H 1 0.7333 0.6622 -0.1539 -0.4358 0.6317 0.6412 0.5218 -0.4031 0.7518 -0.0043 -0.0024 0.0067 -2.303 -1.262 3.565 -0.822 -0.45 1.272 -0.768 -0.421 1.189 22 H 1 0.1237 -0.2045 0.971 0.8664 0.4994 -0.0052 -0.4839 0.8419 0.239 -0.002 -0.0018 0.0039 -1.089 -0.967 2.057 -0.389 -0.345 0.734 -0.363 -0.323 0.686 23 H 1 0.2349 0.6986 -0.6758 -0.1442 0.7126 0.6866 0.9613 -0.0638 0.2681 -6.0E-4 -4.0E-4 0.001 -0.074 -0.059 0.133 -0.026 -0.021 0.047 -0.025 -0.02 0.044 24 C 13 0.1981 0.778 -0.5962 0.3103 0.5272 0.791 0.9298 -0.3417 -0.1369 -5.0E-4 -4.0E-4 9.0E-4 -0.069 -0.058 0.127 -0.025 -0.021 0.045 -0.023 -0.019 0.042 25 C 13 -0.1497 -0.0406 0.9879 -0.0227 0.999 0.0376 0.9885 0.0168 0.1505 -3.0E-4 -3.0E-4 7.0E-4 -0.046 -0.043 0.088 -0.016 -0.015 0.031 -0.015 -0.014 0.029 26 C 13 0.2761 0.933 -0.2309 -0.2926 0.3104 0.9045 0.9155 -0.1822 0.3587 -4.0E-4 -4.0E-4 8.0E-4 -0.218 -0.207 0.426 -0.078 -0.074 0.152 -0.073 -0.069 0.142 27 H 1 -0.2787 -0.5804 0.7652 -0.2287 0.8139 0.5341 0.9328 0.0261 0.3596 -7.0E-4 -6.0E-4 0.0012 -0.348 -0.317 0.664 -0.124 -0.113 0.237 -0.116 -0.106 0.222 28 H 1 0.2033 0.8739 0.4415 0.0347 -0.457 0.8888 0.9785 -0.1654 -0.1233 -3.0E-4 -3.0E-4 6.0E-4 -0.043 -0.041 0.083 -0.015 -0.015 0.03 -0.014 -0.014 0.028 29 C 13 0.0341 0.0092 0.9994 0.4386 0.8984 -0.0232 0.898 -0.4391 -0.0266 -4.0E-4 -4.0E-4 7.0E-4 -0.194 -0.191 0.386 -0.069 -0.068 0.138 -0.065 -0.064 0.129 30 H 1 0.2784 0.8895 -0.3624 0.3506 0.2571 0.9005 0.8942 -0.3777 -0.2403 -5.0E-4 -5.0E-4 0.001 -0.283 -0.258 0.541 -0.101 -0.092 0.193 -0.094 -0.086 0.18 31 H 1 -0.2383 0.0269 0.9708 -0.044 0.9983 -0.0384 0.9702 0.0519 0.2367 -2.0E-4 -2.0E-4 5.0E-4 -0.132 -0.128 0.26 -0.047 -0.046 0.093 -0.044 -0.043 0.087 32 H 1 -0.0921 0.188 0.9778 -0.1208 0.9727 -0.1984 0.9884 0.1364 0.0668 -4.0E-4 -3.0E-4 7.0E-4 -0.2 -0.185 0.385 -0.071 -0.066 0.137 -0.067 -0.062 0.128 33 H 1 0.288 0.7611 0.5812 7.0E-4 -0.6071 0.7946 0.9576 -0.2284 -0.1753 -2.0E-4 -2.0E-4 4.0E-4 -0.12 -0.116 0.237 -0.043 -0.041 0.084 -0.04 -0.039 0.079 34 H 1 0.1806 0.7651 0.6181 0.1271 -0.6413 0.7567 0.9753 -0.0581 -0.2131 -3.0E-4 -3.0E-4 7.0E-4 -0.186 -0.172 0.358 -0.066 -0.061 0.128 -0.062 -0.057 0.119 35 H 1 0.0875 0.5888 0.8035 0.9443 0.2077 -0.2551 -0.3171 0.7811 -0.5379 -0.0029 -0.0013 0.0042 -0.113 -0.049 0.162 -0.04 -0.017 0.058 -0.038 -0.016 0.054 36 N 14 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT7554.400S 2024-07-24T05:40:28.000 -19.28477 -19.26015 -14.50333 -14.49331 -10.38890 -10.37181 -10.37148 -10.36168 -10.36142 -10.36138 -10.36095 -10.33720 -10.32706 -10.32704 -10.30306 -10.23253 -6.78164 -1.17074 -1.13343 -1.08917 -1.07278 -0.92449 -0.90618 -0.88237 -0.83285 -0.82345 -0.79415 -0.74839 -0.74524 -0.73953 -0.68726 -0.67365 -0.65393 -0.62679 -0.62579 -0.60041 -0.59795 -0.57503 -0.56943 -0.56570 -0.56452 -0.55918 -0.55007 -0.54466 -0.52738 -0.51818 -0.50490 -0.50122 -0.49606 -0.47205 -0.45448 -0.45054 -0.44157 -0.43408 -0.42194 -0.41161 -0.39323 -0.38892 -0.37191 -0.36744 -0.34866 -0.32910 -0.31218 -0.20104 0.02312 0.03328 0.10841 0.13212 0.13681 0.14066 0.15667 0.16806 0.17109 0.17659 0.18404 0.18849 0.19448 0.20167 0.20666 0.20839 0.21457 0.22196 0.22575 0.23298 0.23592 0.24654 0.25117 0.25434 0.26082 0.27441 0.27730 0.29062 0.30293 0.30555 0.32333 0.32357 0.33681 0.34378 0.35947 0.37340 0.38398 0.39266 0.39889 0.42905 0.45401 0.46259 0.47525 0.49187 0.49757 0.50320 0.50551 0.51520 0.52034 0.52390 0.52932 0.53734 0.54540 0.55222 0.56338 0.56903 0.57290 0.58341 0.58747 0.60701 0.63337 0.64098 0.65179 0.65610 0.66686 0.68116 0.68501 0.69111 0.69354 0.69653 0.70292 0.70651 0.71100 0.71564 0.71768 0.72079 0.73550 0.74239 0.74631 0.74833 0.75352 0.75667 0.76161 0.76303 0.77402 0.78687 0.78831 0.78960 0.79578 0.80303 0.80763 0.81205 0.81928 0.83446 0.84010 0.84764 0.86811 0.87314 0.88140 0.89068 0.91809 0.92519 0.94158 0.97220 0.98858 0.99637 1.00464 1.03935 1.07527 1.09189 1.12131 1.14744 1.16047 1.16421 1.18857 1.19373 1.20331 1.21997 1.24684 1.25005 1.25411 1.26647 1.29301 1.29666 1.30738 1.32307 1.33518 1.34940 1.36812 1.37958 1.38383 1.40989 1.41543 1.43777 1.45433 1.46298 1.49831 1.50581 1.52949 1.54014 1.56474 1.56826 1.57518 1.59132 1.60441 1.60780 1.61948 1.62315 1.64338 1.67856 1.70132 1.71200 1.73419 1.77405 1.78320 1.78723 1.79479 1.79772 1.80483 1.80725 1.82447 1.84173 1.84381 1.85174 1.85875 1.86097 1.86504 1.86906 1.88001 1.88330 1.88751 1.89058 1.91262 1.91602 1.92666 1.93188 1.93464 1.94015 1.94695 1.95887 1.96078 1.97204 1.97934 1.98400 1.99077 1.99928 2.01294 2.02137 2.03475 2.04520 2.04923 2.05727 2.06735 2.08163 2.08811 2.11086 2.14281 2.15322 2.15964 2.17388 2.19733 2.21399 2.22492 2.23010 2.23880 2.23943 2.26570 2.29435 2.29939 2.30881 2.33963 2.35319 2.35706 2.39542 2.40278 2.40994 2.42495 2.43170 2.43565 2.43728 2.44211 2.47924 2.49247 2.51756 2.52538 2.55033 2.56776 2.58272 2.59353 2.63062 2.68508 2.70813 2.71854 2.72569 2.73626 2.74119 2.75029 2.76224 2.76385 2.78129 2.80025 2.80092 2.84898 2.88722 2.89295 2.90389 2.91086 2.91451 2.95132 2.95576 2.97569 2.98792 2.99220 2.99577 3.00654 3.03642 3.04561 3.05420 3.09312 3.12669 3.13552 3.17798 3.20213 3.20635 3.21877 3.23911 3.29049 3.32543 3.38825 3.46559 3.48297 3.60790 3.64229 3.73017 -19.28477 -19.25686 -14.50330 -14.49346 -10.38885 -10.37181 -10.37148 -10.36168 -10.36138 -10.36136 -10.36080 -10.33729 -10.32709 -10.32706 -10.29195 -10.23283 -6.78058 -1.17074 -1.12383 -1.08912 -1.07277 -0.92442 -0.90617 -0.88223 -0.83207 -0.81272 -0.79411 -0.74628 -0.74468 -0.73845 -0.68718 -0.67283 -0.64115 -0.62622 -0.62451 -0.60029 -0.59794 -0.57489 -0.56574 -0.56453 -0.56152 -0.55804 -0.54512 -0.54152 -0.52118 -0.51523 -0.50483 -0.49975 -0.49602 -0.47204 -0.45444 -0.44815 -0.43710 -0.42914 -0.42192 -0.39708 -0.38708 -0.37820 -0.37013 -0.36646 -0.33951 -0.32738 -0.30728 0.02257 0.03281 0.08426 0.10846 0.13224 0.13710 0.14099 0.15691 0.16825 0.17150 0.17678 0.18422 0.18862 0.19472 0.20249 0.20789 0.20883 0.21507 0.22274 0.22892 0.23565 0.24000 0.24810 0.25162 0.25480 0.26206 0.27464 0.27937 0.29081 0.30414 0.30627 0.32343 0.32394 0.33771 0.34503 0.35986 0.37886 0.38569 0.39662 0.40577 0.43140 0.45460 0.46304 0.47621 0.49280 0.49787 0.50432 0.50608 0.51931 0.52050 0.52641 0.53162 0.53840 0.54570 0.55636 0.56521 0.57006 0.57604 0.58784 0.59451 0.61017 0.63539 0.64749 0.65584 0.66065 0.67773 0.68247 0.68536 0.69142 0.69517 0.69744 0.70347 0.70802 0.71165 0.71594 0.71963 0.72216 0.73608 0.74301 0.74660 0.75028 0.75398 0.75681 0.76169 0.76365 0.77686 0.78770 0.78984 0.79213 0.79680 0.80467 0.81130 0.81335 0.82012 0.83511 0.84107 0.84837 0.86946 0.87524 0.88193 0.89358 0.92070 0.93087 0.94296 0.97393 0.98883 0.99667 1.00924 1.04100 1.07555 1.09209 1.12328 1.14903 1.16107 1.16886 1.18897 1.19444 1.20417 1.22295 1.24842 1.25130 1.25437 1.26672 1.29363 1.29729 1.30789 1.32342 1.33832 1.35069 1.36957 1.38035 1.38725 1.41035 1.41759 1.43973 1.45722 1.46452 1.50187 1.50647 1.53304 1.54305 1.56522 1.56858 1.57764 1.59343 1.60759 1.60828 1.62054 1.62610 1.64433 1.68284 1.70914 1.71259 1.73582 1.77418 1.78357 1.78779 1.79564 1.79801 1.80584 1.80880 1.82673 1.84206 1.84419 1.85260 1.85926 1.86133 1.86617 1.86936 1.88117 1.88450 1.88769 1.89173 1.91493 1.91956 1.92772 1.93288 1.93625 1.94094 1.95134 1.95976 1.96289 1.97346 1.98077 1.98513 1.99110 2.00724 2.01976 2.02697 2.03962 2.04668 2.05209 2.05809 2.07118 2.08598 2.08908 2.11671 2.14356 2.15407 2.16467 2.18031 2.19880 2.21586 2.22898 2.23489 2.23942 2.26073 2.26845 2.29595 2.30166 2.31349 2.34042 2.35486 2.35736 2.39562 2.40321 2.41173 2.42574 2.43456 2.43721 2.43827 2.44276 2.48074 2.49466 2.51817 2.52540 2.55370 2.56939 2.58521 2.59419 2.63261 2.68607 2.70843 2.72007 2.73000 2.73652 2.74254 2.75522 2.76337 2.76405 2.78162 2.80034 2.80099 2.84906 2.88798 2.89553 2.90586 2.91298 2.91535 2.95145 2.95582 2.98467 2.99085 2.99299 2.99779 3.00714 3.03654 3.05313 3.05955 3.09341 3.12812 3.13640 3.17808 3.20637 3.21184 3.21888 3.24896 3.29059 3.32552 3.38825 3.46577 3.49040 3.60790 3.64867 3.73021 2-A. 3.17220176e+00 7.16587932e-01 -2.39473940e-02 2.22161254e+02 1.47280623e+01 1.41214006e+02 -6.12848831e+00 1.29017224e+01 1.37501486e+02 -10.2328 -3.9436 0.0002 0.0005 0.0005 0.6542 19.0067 24.7035 42.3613 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 18.9544 24.6613 42.3389 59.3527 73.3741 86.4973 116.9620 152.0641 174.4326 214.4768 227.5377 245.8082 272.6554 304.0110 317.5822 333.8454 386.5386 418.5667 422.9590 470.2312 489.3055 497.6172 501.7178 552.8749 590.3010 659.8478 680.1118 685.1240 747.9188 777.6480 792.6577 806.9074 835.2458 851.0801 872.7495 899.4078 912.8694 971.6177 977.9904 991.4551 997.1904 1014.7346 1019.3676 1049.6586 1055.8894 1100.7347 1104.2329 1106.3051 1119.2622 1144.1749 1157.4423 1166.6714 1178.8424 1182.9519 1198.6022 1204.0887 1222.9795 1234.3743 1251.5776 1256.3143 1261.8585 1288.8183 1298.7632 1313.2994 1349.7761 1353.3248 1362.2821 1377.4947 1400.1530 1410.8866 1416.9492 1437.1248 1439.1511 1454.0538 1465.9535 1467.6601 1476.5940 1480.0016 1485.3448 1492.2281 1499.6922 1514.6175 1586.1265 1638.8364 1730.8458 2427.2984 2475.1327 2985.6458 2999.2031 3002.2378 3017.0792 3020.0708 3031.9440 3063.8236 3092.1315 3104.9357 3145.0512 3146.8449 3148.9237 3153.9791 3164.3025 3241.8165 3244.1309 3273.5510 3274.6528 4.2742 3.1703 3.6273 3.7068 2.9436 2.6886 2.4010 3.5000 3.3503 1.6854 1.7844 2.9890 2.7710 3.3957 3.1794 2.1896 3.3908 2.0235 2.8704 3.4177 2.8576 2.7143 2.9735 2.2275 2.7464 1.5635 2.4604 5.7564 2.1884 3.0459 2.1270 3.3156 1.2657 1.9802 1.5693 2.2387 3.3637 2.0387 1.3451 2.7725 1.4765 1.4684 1.4349 2.2484 3.0660 1.7777 1.8863 2.2321 2.2047 2.1554 2.0321 1.3475 1.2153 1.2927 1.1776 1.5865 3.1106 1.7864 1.1956 2.6897 1.2239 1.3003 2.6224 1.4565 1.2242 1.3727 2.9062 1.5430 1.3221 1.3940 1.4675 1.2994 1.5839 2.2676 1.0476 1.0761 1.0801 1.1202 1.1042 1.2347 1.1611 3.5257 3.5416 7.9419 6.2489 1.0567 1.1169 1.0394 1.0721 1.0724 1.0706 1.0716 1.0635 1.1012 1.0888 1.0990 1.0964 1.0978 1.1012 1.0957 1.0947 1.0925 1.0941 1.0940 1.0939 0.0009 0.0011 0.0038 0.0077 0.0093 0.0119 0.0194 0.0477 0.0601 0.0457 0.0544 0.1064 0.1214 0.1849 0.1889 0.1438 0.2985 0.2089 0.3025 0.4453 0.4031 0.3960 0.4410 0.4012 0.5639 0.4011 0.6705 1.5920 0.7213 1.0853 0.7874 1.2719 0.5202 0.8451 0.7043 1.0670 1.6515 1.1340 0.7580 1.6057 0.8650 0.8908 0.8785 1.4595 2.0140 1.2691 1.3551 1.6096 1.6273 1.6625 1.6040 1.0806 0.9951 1.0659 0.9968 1.3552 2.7411 1.6037 1.1034 2.5013 1.1482 1.2726 2.6062 1.4801 1.3141 1.4813 3.1777 1.7250 1.5271 1.6349 1.7359 1.5812 1.9328 2.8247 1.3264 1.3657 1.3876 1.4456 1.4354 1.6199 1.5386 4.7654 5.2496 12.5674 11.0299 3.6681 4.0316 5.4592 5.6821 5.6950 5.7421 5.7588 5.7601 6.0904 6.1336 6.2423 6.3895 6.4050 6.4332 6.4216 6.4581 6.7644 6.7843 6.9073 6.9111 0.2295 0.4016 1.3881 0.7683 0.2359 3.3172 1.4076 3.6100 4.1107 4.6848 0.3802 8.7085 4.3923 0.7019 12.6646 6.8867 8.0463 4.0663 0.0603 5.5982 0.8566 0.1690 2.2601 9.4252 15.4611 35.0685 6.4910 1.7578 4.3907 1.8427 3.9330 12.5751 0.1454 42.6000 0.1452 1.6801 1.7208 8.8976 10.2629 63.1894 7.3560 5.3970 5.0051 5.1483 42.8246 1.4670 96.7092 15.4490 60.0704 12.2205 43.8166 2.7102 10.5305 1.8052 41.4874 27.0100 83.9101 101.9593 10.7401 5.7077 2.0598 99.4453 109.7399 64.8945 7.1856 10.7265 9.0553 2.2619 54.3421 3.6460 19.9400 38.9147 50.9053 44.4600 6.0290 1.1756 0.7046 86.6146 23.1264 5.5726 4.8660 7.9275 335.0870 33.2724 366.8602 267.1942 220.2933 63.6316 28.8564 51.8011 23.6738 71.6218 34.8814 67.7297 20.2982 48.6542 26.0552 20.0421 20.6716 8.6443 8.2373 0.0526 0.0301 2.1089 2.3624 -0.03 -0.07 0.07 -0.03 -0.07 0.07 -0.04 -0.03 0.04 -0.05 -0.01 0.03 -0.05 -0.01 0.03 -0.05 0.01 0.01 -0.04 0.03 0.01 -0.09 0.05 0.00 -0.06 0.05 0.00 -0.04 -0.03 0.04 0.03 0.07 -0.00 0.00 0.03 -0.00 0.03 0.16 0.00 0.15 0.03 -0.03 0.21 0.06 -0.04 0.16 -0.08 -0.05 0.27 -0.13 -0.07 0.27 -0.23 -0.08 0.35 -0.08 -0.08 0.29 -0.13 -0.07 -0.02 -0.10 0.09 -0.02 -0.09 0.08 -0.05 0.02 0.01 -0.02 -0.05 0.04 -0.06 0.07 -0.05 -0.07 0.03 0.02 0.04 -0.09 -0.02 -0.03 -0.10 0.12 -0.11 0.14 -0.06 -0.00 0.06 -0.11 -0.09 0.10 -0.03 -0.05 0.00 0.02 -0.13 0.06 0.09 -0.11 0.20 -0.13 -0.17 0.16 0.00 -0.05 -0.01 0.03 -0.07 0.11 -0.07 -0.02 -0.05 -0.02 -0.01 -0.05 -0.01 -0.01 -0.04 -0.01 -0.00 -0.04 -0.02 -0.01 -0.03 -0.03 -0.00 -0.03 -0.03 -0.02 -0.01 -0.06 -0.04 0.01 -0.11 -0.03 -0.05 -0.05 -0.01 -0.04 -0.03 0.02 0.06 -0.02 0.03 0.10 -0.03 0.02 0.07 -0.03 0.05 0.04 0.05 0.06 0.00 0.07 0.06 0.04 0.06 0.08 0.01 0.13 0.08 0.01 0.13 0.10 0.04 0.17 0.08 -0.05 0.13 -0.01 -0.07 0.00 -0.02 -0.06 -0.02 -0.01 -0.02 -0.04 -0.07 0.14 -0.07 0.05 -0.12 0.12 -0.10 0.14 -0.13 -0.05 0.25 0.03 -0.12 0.17 -0.19 0.02 -0.11 0.04 0.09 -0.04 0.28 0.09 -0.29 0.14 -0.13 0.28 -0.17 -0.13 0.04 -0.26 0.07 -0.15 0.15 -0.01 -0.21 -0.08 -0.01 -0.03 -0.01 -0.03 0.08 -0.00 0.02 -0.06 0.03 0.01 -0.02 0.00 -0.02 0.08 -0.06 -0.04 0.15 -0.12 -0.03 0.11 -0.09 -0.07 0.25 -0.19 0.01 -0.04 0.05 0.02 -0.03 0.01 0.05 -0.10 0.08 0.00 -0.00 -0.01 -0.06 0.00 0.13 -0.18 0.01 0.10 -0.05 0.05 0.24 0.02 -0.03 0.10 0.16 -0.03 0.13 -0.03 -0.08 -0.05 0.09 -0.12 -0.08 0.03 -0.17 -0.20 0.09 -0.08 0.01 0.22 -0.16 -0.10 0.03 -0.09 0.04 0.04 -0.15 0.09 -0.05 0.17 -0.13 -0.06 0.11 -0.05 -0.01 0.03 -0.01 0.03 -0.01 0.02 -0.18 0.14 0.02 -0.05 0.19 -0.15 0.07 -0.07 0.07 -0.12 0.02 0.02 0.03 0.06 -0.04 -0.01 -0.02 0.05 0.14 -0.01 -0.04 0.07 -0.14 0.14 0.19 -0.06 0.03 -0.03 0.10 -0.07 0.02 -0.10 0.11 -0.04 0.07 -0.05 -0.06 0.13 -0.08 -0.04 0.06 -0.04 0.01 -0.09 0.07 0.02 -0.13 0.09 0.05 -0.17 0.13 -0.00 -0.03 -0.02 -0.01 -0.03 -0.02 -0.05 -0.01 -0.04 -0.00 -0.05 0.02 0.06 -0.03 -0.06 0.14 -0.02 -0.04 0.06 -0.03 -0.13 0.05 -0.03 -0.02 -0.01 -0.03 -0.03 0.08 -0.01 0.06 0.08 -0.03 0.16 0.11 -0.02 0.21 0.11 -0.01 0.17 0.02 -0.10 0.17 -0.09 0.24 -0.15 -0.07 0.14 -0.10 0.06 -0.24 0.16 -0.06 0.09 -0.06 -0.09 0.10 -0.10 0.04 -0.04 0.01 -0.19 0.10 -0.01 -0.02 0.17 -0.13 0.01 -0.01 0.00 -0.22 0.03 -0.17 -0.08 0.24 -0.14 0.02 -0.10 0.05 0.17 -0.01 -0.01 -0.03 -0.06 0.02 0.14 0.04 0.02 -0.06 0.12 -0.08 -0.01 -0.12 0.06 -0.04 0.04 -0.10 -0.04 0.06 -0.09 0.00 -0.03 -0.02 0.04 -0.11 0.03 0.04 -0.12 0.01 0.08 -0.19 0.09 0.01 -0.06 -0.04 0.00 -0.02 -0.18 0.04 -0.21 0.01 0.00 -0.05 -0.06 -0.04 0.09 0.13 -0.16 0.18 0.08 -0.03 0.13 0.25 0.05 0.04 0.20 0.26 -0.04 0.29 -0.05 0.06 -0.05 0.02 0.04 -0.12 -0.09 0.06 -0.35 -0.06 0.06 0.07 0.28 -0.02 -0.14 -0.08 0.14 -0.13 -0.07 0.10 -0.15 0.07 -0.19 0.05 -0.01 -0.03 0.02 0.02 0.00 0.00 -0.02 0.00 0.04 0.01 -0.05 0.00 -0.02 -0.06 0.05 0.01 0.04 0.02 0.04 0.00 -0.01 0.03 0.01 -0.00 -0.03 -0.00 0.05 -0.04 0.01 0.06 0.02 0.06 0.01 -0.01 0.04 0.03 0.01 -0.02 0.01 -0.00 0.04 0.02 0.01 -0.10 0.04 0.00 -0.08 0.03 -0.01 -0.02 -0.01 -0.01 -0.02 -0.01 -0.00 -0.04 0.00 -0.02 0.02 -0.03 0.00 -0.02 0.00 -0.03 -0.01 -0.03 -0.01 -0.04 0.00 0.01 -0.07 0.03 0.07 0.02 0.01 0.10 0.03 0.01 0.06 0.04 -0.03 0.07 0.02 0.03 0.01 0.04 0.00 0.10 0.01 0.11 -0.08 0.17 -0.17 0.00 0.12 -0.00 -0.10 -0.01 -0.55 -0.30 0.54 -0.18 0.01 -0.10 0.05 0.02 -0.13 0.06 -0.01 -0.03 -0.00 -0.05 0.04 -0.03 -0.03 0.03 -0.04 -0.02 0.00 0.00 -0.10 0.07 0.01 -0.05 0.08 -0.08 0.00 0.00 0.01 -0.07 0.01 -0.06 -0.02 0.08 -0.05 -0.03 -0.00 0.02 0.03 0.00 -0.02 0.00 -0.01 0.02 0.05 0.02 0.01 -0.03 0.03 -0.03 -0.02 -0.03 0.04 -0.02 0.08 -0.08 -0.02 0.08 -0.08 -0.00 0.02 -0.04 0.00 0.02 -0.03 -0.00 0.02 -0.04 0.01 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.01 -0.03 0.03 -0.04 0.02 -0.01 0.03 -0.05 -0.08 0.02 0.05 -0.17 0.01 0.04 -0.07 0.04 0.13 -0.04 0.01 0.01 -0.12 0.09 -0.06 0.05 -0.12 0.17 0.03 -0.07 -0.01 0.21 -0.30 0.31 0.22 -0.14 -0.48 -0.33 0.25 -0.00 -0.04 0.12 -0.10 -0.03 0.12 -0.11 0.01 -0.01 -0.02 0.02 -0.05 0.02 0.04 -0.03 0.03 -0.01 -0.00 0.02 0.05 -0.08 -0.02 0.02 -0.09 0.07 0.01 0.00 0.01 0.07 -0.00 0.07 0.05 -0.09 0.04 -0.01 0.00 0.02 -0.04 0.00 0.04 0.03 0.02 0.01 -0.03 -0.01 0.00 0.02 -0.02 0.00 0.01 0.04 -0.01 -0.06 0.04 -0.00 -0.08 0.14 -0.03 -0.05 0.13 -0.00 -0.04 0.16 -0.04 -0.01 0.06 -0.02 -0.04 0.22 -0.08 0.02 -0.13 -0.04 0.08 -0.12 -0.10 -0.07 -0.18 -0.05 -0.01 -0.03 0.03 0.11 -0.08 -0.04 0.21 -0.02 -0.04 0.10 -0.06 -0.15 0.13 -0.10 0.08 0.17 -0.20 0.15 0.09 -0.01 0.02 -0.02 0.05 -0.01 -0.10 0.20 -0.16 -0.18 -0.01 0.11 0.13 0.02 -0.03 -0.11 0.19 -0.05 -0.08 0.01 -0.00 0.01 0.06 -0.03 0.05 -0.07 0.05 -0.04 -0.06 0.11 0.01 -0.04 -0.01 0.12 -0.16 -0.05 0.10 -0.12 0.19 -0.08 -0.07 -0.02 -0.00 0.01 0.23 -0.05 -0.19 0.14 0.07 -0.05 -0.05 -0.05 -0.03 0.03 -0.11 -0.09 -0.03 -0.15 -0.11 -0.05 -0.02 0.04 0.04 -0.02 0.00 -0.09 0.05 0.04 -0.02 0.03 0.03 -0.12 -0.02 -0.02 -0.14 -0.08 -0.01 -0.10 -0.07 -0.02 0.01 -0.13 0.00 -0.14 0.01 0.06 0.18 -0.09 0.03 0.36 0.08 0.26 0.16 0.01 -0.02 0.07 0.08 -0.05 0.04 0.16 -0.15 0.09 0.07 -0.04 -0.05 0.04 -0.02 -0.05 -0.04 0.05 -0.11 0.05 0.02 -0.01 -0.01 0.04 0.03 -0.08 0.17 -0.09 -0.13 0.02 0.18 0.11 -0.05 0.02 0.06 0.07 -0.17 0.10 0.07 0.00 -0.12 -0.04 0.07 -0.08 -0.11 -0.02 0.08 -0.05 -0.02 -0.11 -0.00 0.08 -0.08 -0.17 -0.08 -0.12 -0.18 0.02 0.06 0.04 0.05 0.12 -0.00 0.05 0.14 -0.14 -0.04 -0.17 -0.01 0.13 -0.14 0.01 0.11 0.14 0.08 0.09 0.03 0.02 0.03 -0.01 -0.04 -0.11 -0.02 0.08 0.08 -0.01 0.03 -0.02 0.01 -0.01 0.01 0.01 -0.02 0.02 0.01 -0.01 0.01 -0.00 0.02 -0.01 0.01 -0.04 0.03 -0.01 0.03 -0.02 -0.00 0.02 -0.00 -0.01 0.04 -0.02 -0.01 0.04 -0.03 -0.04 0.01 -0.02 -0.06 -0.01 -0.02 -0.04 0.03 0.00 -0.01 -0.00 -0.03 -0.14 0.08 -0.12 0.07 -0.09 0.14 -0.02 -0.01 -0.03 -0.27 0.24 -0.50 -0.37 -0.11 0.33 0.47 -0.07 -0.08 0.01 -0.03 0.02 -0.01 0.04 -0.03 -0.00 0.03 -0.02 0.00 0.02 -0.00 -0.00 0.01 -0.02 0.00 0.01 -0.01 -0.01 0.06 0.04 -0.01 0.04 -0.04 0.00 0.01 -0.00 -0.01 -0.02 -0.07 -0.02 0.06 -0.02 0.00 0.02 -0.01 0.01 -0.00 -0.03 0.00 0.01 -0.01 0.02 0.02 0.01 0.01 -0.02 0.02 0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.02 -0.00 -0.01 -0.02 -0.01 -0.02 -0.02 -0.00 -0.02 -0.01 -0.02 -0.01 -0.03 -0.00 0.01 0.01 -0.03 0.01 0.03 0.02 0.03 0.02 0.00 -0.02 -0.00 -0.00 0.00 0.01 -0.01 -0.01 0.01 -0.00 0.01 0.02 -0.01 0.01 -0.02 -0.03 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.01 -0.02 -0.01 0.00 0.02 0.02 -0.01 0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.01 -0.02 -0.00 -0.05 0.09 -0.03 0.05 -0.05 0.09 0.10 -0.06 0.08 -0.25 0.17 0.12 -0.03 0.23 -0.21 -0.09 0.08 -0.04 0.24 0.08 0.26 0.05 -0.31 0.15 0.12 -0.29 0.15 0.26 0.09 0.22 -0.11 0.23 -0.22 -0.27 0.15 0.13 -0.00 0.01 -0.01 0.01 -0.03 -0.05 -0.02 -0.12 0.04 -0.04 -0.02 0.01 -0.03 0.07 -0.02 0.00 0.01 0.01 0.02 -0.10 0.04 0.01 0.04 -0.00 -0.04 -0.00 -0.01 -0.12 0.04 -0.08 -0.02 -0.05 0.01 -0.01 -0.12 0.03 -0.05 0.06 0.03 -0.14 0.01 0.03 -0.04 0.07 0.12 -0.08 0.09 -0.11 -0.24 0.29 -0.28 -0.01 0.01 0.02 0.02 0.01 -0.00 -0.05 0.04 -0.14 -0.04 0.02 0.11 0.16 -0.03 -0.02 -0.07 0.01 0.00 -0.02 -0.16 0.06 0.06 -0.15 0.05 0.07 -0.07 -0.01 0.01 0.03 0.08 0.05 -0.01 0.01 0.14 -0.26 -0.21 0.15 -0.15 0.24 0.05 -0.05 0.01 -0.02 0.10 0.27 0.08 -0.13 0.08 0.06 -0.04 0.02 0.01 0.02 0.07 0.03 -0.15 0.10 0.08 -0.13 -0.10 -0.04 0.17 -0.08 0.08 0.06 -0.05 0.01 -0.02 -0.04 -0.01 0.04 -0.02 0.01 0.02 0.02 0.05 0.04 -0.04 0.07 -0.01 -0.07 0.08 0.07 -0.03 0.11 -0.06 0.07 0.06 -0.03 -0.01 0.20 -0.16 0.11 0.07 -0.05 -0.04 0.01 -0.00 0.16 -0.24 -0.14 0.15 0.03 0.06 0.38 0.01 0.04 -0.15 -0.21 0.35 -0.41 0.06 0.03 -0.05 -0.00 0.05 0.04 0.01 0.13 0.08 -0.03 0.04 0.08 -0.04 -0.02 0.06 -0.03 0.06 -0.02 -0.03 -0.04 -0.06 0.09 -0.01 -0.08 -0.02 0.02 0.06 -0.07 -0.01 -0.00 -0.05 0.01 -0.02 -0.00 0.08 0.11 -0.04 0.04 0.01 -0.09 -0.02 -0.01 -0.10 -0.06 -0.10 -0.13 0.10 0.01 -0.01 0.07 -0.07 -0.08 -0.04 -0.07 -0.09 -0.01 -0.03 -0.09 -0.00 0.02 0.01 -0.04 0.09 -0.09 -0.05 0.01 -0.09 -0.02 -0.03 -0.07 -0.01 -0.02 -0.01 -0.03 0.02 -0.06 -0.00 0.01 -0.08 0.01 -0.01 -0.06 -0.00 0.01 -0.13 -0.01 0.05 -0.19 -0.01 0.10 -0.07 0.04 0.06 -0.10 -0.03 -0.01 -0.09 0.01 0.06 -0.35 -0.09 0.04 -0.07 0.26 0.25 0.15 -0.07 -0.04 0.23 -0.05 -0.04 0.12 -0.03 -0.11 -0.11 0.04 0.08 -0.03 0.26 0.25 -0.20 -0.04 0.06 -0.32 -0.04 0.11 -0.10 0.01 -0.02 -0.08 0.00 -0.03 -0.06 0.03 -0.05 0.07 0.04 -0.01 0.05 0.04 -0.01 0.10 0.02 -0.04 0.09 0.09 0.03 0.08 0.07 -0.04 0.09 0.04 0.00 0.06 0.01 -0.09 0.05 0.10 -0.03 0.07 0.05 -0.03 0.11 0.01 -0.07 0.05 0.02 -0.02 0.11 0.06 0.02 0.02 -0.05 0.05 0.12 0.02 -0.01 0.05 0.04 0.01 0.08 -0.06 0.07 0.00 -0.00 0.00 0.06 -0.08 0.06 0.04 0.03 -0.00 0.08 -0.15 0.11 0.07 0.05 -0.05 0.17 0.02 -0.04 0.08 0.02 -0.05 0.04 0.14 -0.06 -0.07 0.01 0.01 -0.34 0.00 -0.04 -0.04 0.14 0.28 0.10 -0.06 0.00 0.24 -0.15 0.09 0.08 -0.06 -0.06 -0.09 0.00 0.05 -0.05 0.17 0.15 -0.18 -0.07 0.04 -0.23 -0.04 0.07 0.11 -0.13 0.10 0.05 0.03 0.02 0.02 0.03 0.02 -0.05 -0.05 -0.02 -0.04 -0.01 0.04 -0.06 -0.03 0.05 -0.07 -0.19 -0.15 -0.02 -0.10 0.10 -0.05 -0.05 0.00 -0.06 0.06 0.22 0.00 -0.16 0.04 -0.05 -0.12 0.08 -0.05 0.03 0.13 -0.02 -0.09 0.07 -0.04 -0.10 -0.07 -0.06 0.15 -0.12 -0.07 0.02 -0.01 -0.01 -0.06 -0.08 -0.03 -0.03 -0.02 0.00 -0.00 0.01 0.05 -0.04 -0.01 0.03 -0.03 -0.10 0.09 -0.05 0.02 -0.01 0.14 0.13 -0.24 0.08 0.50 0.20 0.52 0.11 0.00 -0.03 -0.11 0.03 -0.02 -0.02 0.17 -0.04 0.02 0.01 -0.06 -0.15 0.00 -0.02 0.06 0.10 -0.15 0.16 -0.02 -0.01 0.01 -0.00 -0.01 -0.01 -0.00 -0.03 -0.01 0.00 -0.01 -0.02 0.00 0.01 -0.01 -0.06 -0.02 -0.01 -0.04 -0.08 -0.10 0.06 -0.02 -0.14 0.04 0.02 0.06 -0.06 0.04 0.05 0.02 0.01 -0.01 0.08 -0.01 0.01 0.07 0.01 0.12 -0.04 -0.03 0.01 -0.10 0.02 0.04 -0.08 0.07 0.06 0.07 0.03 -0.04 -0.00 0.00 -0.02 -0.07 -0.09 0.03 -0.01 -0.05 -0.03 -0.01 0.07 0.05 -0.01 -0.01 -0.02 -0.08 0.08 -0.06 -0.04 -0.08 0.05 -0.04 -0.09 0.06 -0.03 -0.10 0.06 -0.08 0.09 -0.08 0.00 -0.15 0.10 0.04 -0.13 0.08 0.15 -0.13 -0.02 0.06 -0.29 0.12 -0.06 0.12 -0.09 0.09 -0.11 0.10 0.27 -0.18 0.15 0.07 -0.13 -0.11 -0.01 -0.03 -0.01 -0.25 0.21 -0.23 -0.01 0.08 0.02 0.09 0.05 -0.02 0.08 -0.06 -0.06 0.16 0.10 -0.03 0.15 0.07 -0.03 -0.02 -0.11 0.07 -0.11 0.11 -0.10 -0.11 0.16 -0.12 -0.01 0.00 -0.04 -0.02 0.04 0.01 0.05 -0.02 0.02 -0.05 -0.03 -0.05 0.03 0.03 -0.02 0.04 -0.03 0.01 -0.07 0.03 0.04 0.02 0.04 -0.01 0.02 -0.13 0.08 0.09 0.06 0.11 0.02 -0.13 0.09 0.10 -0.08 -0.09 -0.06 0.04 -0.03 0.08 0.07 -0.04 0.01 -0.01 0.01 0.00 0.02 -0.01 0.00 0.01 -0.00 0.00 0.03 -0.02 0.02 -0.01 0.01 0.00 0.04 -0.03 0.00 0.02 -0.01 -0.02 0.02 -0.00 -0.00 0.05 -0.02 0.02 -0.03 0.02 -0.01 0.02 -0.02 -0.04 0.03 -0.03 -0.00 0.01 0.02 -0.00 0.01 0.00 0.04 -0.03 0.04 -0.00 -0.01 -0.00 -0.01 -0.01 0.00 -0.01 0.01 0.01 -0.03 -0.02 0.00 -0.02 -0.01 0.00 0.00 0.03 -0.01 0.01 -0.01 0.01 0.02 -0.02 0.02 -0.05 0.03 0.03 -0.05 -0.02 -0.04 0.03 -0.03 0.11 -0.24 0.13 0.19 -0.07 0.15 -0.18 0.03 -0.11 -0.01 -0.21 -0.14 -0.21 -0.07 0.21 -0.09 0.07 -0.30 0.19 0.10 0.16 0.35 0.07 -0.28 0.21 0.13 -0.27 -0.26 0.02 -0.06 0.04 0.00 0.14 -0.10 0.04 -0.16 0.12 -0.05 0.18 -0.10 0.00 0.01 0.00 0.06 -0.15 0.12 -0.03 0.17 -0.10 0.10 -0.28 0.22 -0.00 -0.00 -0.01 -0.02 0.00 -0.02 -0.01 -0.01 -0.01 0.00 -0.01 0.01 0.00 0.01 -0.01 -0.01 0.01 -0.01 0.00 -0.00 -0.01 -0.01 0.01 -0.01 -0.00 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 -0.10 0.33 -0.20 0.11 -0.42 0.29 -0.09 0.41 -0.27 -0.01 -0.01 -0.02 0.01 -0.02 -0.02 -0.01 -0.00 0.01 -0.02 -0.01 -0.02 -0.01 -0.01 -0.03 0.00 0.00 0.00 0.01 -0.02 -0.02 0.01 -0.02 -0.02 -0.02 -0.02 0.02 0.01 0.01 0.02 0.02 0.03 -0.01 -0.02 0.01 0.01 0.01 -0.02 -0.02 -0.01 0.00 0.01 -0.10 -0.01 -0.03 -0.08 0.06 0.16 -0.00 0.09 0.15 0.07 0.13 0.12 0.10 -0.00 -0.02 0.19 0.23 0.14 -0.01 0.02 0.03 -0.14 -0.00 0.23 0.12 0.22 0.03 0.00 -0.05 -0.07 -0.01 -0.02 0.00 -0.05 -0.04 0.00 -0.01 -0.00 0.04 0.00 -0.02 0.00 -0.01 -0.04 0.01 -0.00 0.02 0.01 0.02 0.02 -0.00 0.02 -0.01 -0.02 0.04 0.03 -0.01 0.04 0.02 -0.01 -0.22 0.05 0.24 -0.22 -0.04 -0.11 0.23 -0.04 -0.09 -0.09 -0.06 -0.11 0.10 -0.07 -0.09 -0.08 -0.07 0.00 -0.19 -0.02 -0.03 -0.14 -0.04 -0.22 0.08 0.03 -0.06 0.20 0.00 0.00 0.16 -0.20 -0.09 -0.14 -0.09 0.05 -0.06 -0.04 0.02 0.14 0.09 -0.06 0.06 0.04 -0.04 0.00 -0.05 -0.09 -0.00 -0.00 0.00 -0.03 0.01 0.01 -0.04 0.01 0.03 -0.06 -0.02 0.03 -0.02 -0.00 -0.01 -0.01 -0.01 -0.03 0.02 0.04 -0.01 0.11 0.07 -0.01 0.05 0.15 -0.24 0.09 -0.14 0.03 0.03 -0.01 -0.01 0.15 0.13 0.07 0.52 0.19 0.12 0.12 -0.08 -0.25 0.00 0.12 0.03 0.09 0.26 -0.04 -0.01 -0.13 -0.05 -0.14 -0.12 0.02 -0.11 0.05 0.10 -0.23 -0.18 0.03 -0.25 -0.17 0.04 -0.04 0.03 0.02 -0.08 -0.00 -0.03 -0.03 0.00 -0.03 -0.03 -0.02 -0.03 -0.00 0.02 0.02 -0.01 -0.04 -0.03 -0.06 -0.00 0.00 0.01 0.03 -0.05 0.02 0.03 0.02 0.02 0.03 0.02 0.04 0.01 -0.00 -0.06 0.02 -0.02 -0.03 -0.07 -0.07 -0.03 0.01 -0.02 0.02 0.04 0.04 -0.06 -0.03 0.01 0.08 0.01 -0.01 0.01 0.00 0.01 0.01 -0.01 -0.03 0.01 -0.01 -0.02 0.01 -0.02 -0.01 -0.01 0.02 0.01 -0.02 -0.06 -0.01 -0.02 -0.01 0.00 0.01 -0.01 -0.02 -0.03 -0.03 0.00 -0.01 0.01 0.01 -0.01 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 0.01 -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 0.01 0.01 -0.00 0.01 0.01 -0.00 0.02 0.00 -0.05 0.04 0.00 0.03 -0.02 0.02 0.01 -0.10 -0.00 0.16 0.09 0.15 0.05 -0.10 -0.14 -0.03 -0.29 0.06 0.28 -0.01 0.18 -0.02 0.11 0.01 -0.15 0.28 0.26 0.17 -0.00 -0.09 0.16 -0.04 0.06 -0.16 -0.30 -0.26 -0.11 0.07 -0.18 0.01 0.32 -0.02 -0.29 0.01 0.06 0.07 -0.01 -0.05 -0.06 -0.01 -0.00 0.06 -0.05 0.04 0.02 -0.12 -0.02 -0.00 -0.05 -0.02 -0.05 -0.02 -0.05 -0.01 -0.01 0.00 -0.04 0.21 0.07 -0.06 0.17 0.01 0.15 0.16 0.26 -0.11 0.07 0.00 0.01 -0.02 -0.05 -0.06 -0.45 -0.02 -0.15 0.03 -0.05 0.43 -0.02 -0.04 -0.02 0.04 -0.26 0.14 -0.01 0.04 0.04 0.04 0.03 -0.01 0.03 -0.04 -0.05 0.08 0.06 -0.01 0.10 0.06 -0.02 0.02 0.04 -0.02 -0.06 -0.06 0.05 -0.10 -0.05 0.05 -0.04 -0.04 -0.04 -0.04 0.05 0.06 0.00 -0.06 -0.07 -0.08 0.01 0.03 0.05 0.07 -0.08 0.01 0.04 0.06 -0.05 0.02 -0.00 0.03 0.10 -0.00 -0.10 0.06 -0.04 -0.05 -0.12 -0.13 -0.10 0.03 -0.04 -0.02 0.08 0.12 -0.11 -0.06 0.05 0.15 0.03 -0.02 0.00 -0.07 0.04 -0.01 0.01 -0.01 -0.05 0.19 -0.12 -0.01 0.02 0.00 0.01 -0.06 0.04 0.10 -0.33 0.25 -0.02 -0.01 0.02 0.07 -0.01 -0.02 0.03 -0.08 0.05 -0.05 0.13 -0.10 -0.01 -0.02 0.03 0.14 -0.05 0.07 -0.02 0.00 -0.14 0.02 -0.02 0.01 -0.04 0.07 -0.06 0.01 0.00 -0.01 0.01 0.01 0.00 0.01 0.00 0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 0.08 -0.35 0.23 0.09 -0.37 0.24 0.10 -0.37 0.24 -0.00 -0.01 0.02 0.01 -0.03 -0.00 -0.00 -0.01 -0.01 -0.04 0.05 0.09 -0.02 0.03 -0.06 0.00 0.00 0.01 -0.03 -0.08 -0.08 -0.01 0.06 -0.02 -0.01 0.05 -0.03 -0.06 -0.05 -0.04 0.00 0.06 -0.04 -0.06 0.02 0.06 0.02 -0.05 0.03 0.03 0.01 -0.01 -0.08 -0.03 0.03 -0.09 -0.01 -0.00 -0.03 0.02 -0.01 -0.09 -0.01 0.01 -0.08 -0.04 0.01 -0.09 -0.08 0.05 0.19 0.05 -0.03 0.14 0.05 0.00 0.13 0.10 -0.06 -0.04 0.02 -0.02 0.07 -0.01 0.00 -0.12 0.02 -0.04 0.10 -0.09 0.25 -0.02 0.01 -0.01 0.04 -0.09 0.07 -0.01 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.09 -0.07 0.05 -0.09 -0.10 0.05 -0.10 -0.08 0.06 0.07 0.05 0.02 0.07 0.00 -0.05 0.05 0.10 0.05 0.27 0.00 -0.10 -0.02 -0.12 0.18 0.06 -0.01 -0.11 0.26 0.11 0.05 -0.01 -0.21 0.04 0.15 -0.13 0.08 0.23 0.23 0.15 0.15 -0.11 0.10 0.25 -0.05 -0.25 0.04 -0.02 0.02 -0.14 -0.05 0.03 -0.01 0.00 0.03 -0.01 -0.00 -0.01 -0.01 -0.01 -0.00 0.01 -0.01 -0.03 0.02 0.00 0.02 -0.00 0.02 -0.05 0.00 0.03 -0.07 -0.01 -0.03 0.15 -0.03 0.27 -0.13 0.01 0.01 0.01 -0.00 -0.00 -0.02 -0.04 0.16 -0.08 0.01 0.04 0.03 0.09 -0.10 0.14 -0.47 0.59 -0.46 -0.03 0.01 -0.02 -0.01 -0.02 -0.01 -0.00 -0.04 0.02 0.02 0.01 -0.01 -0.03 -0.04 -0.00 0.01 0.02 -0.03 -0.02 0.01 0.02 0.00 0.02 0.01 0.00 0.00 -0.01 0.00 0.01 0.00 0.00 0.01 -0.00 0.03 -0.00 -0.02 0.00 -0.01 0.01 0.00 0.00 -0.00 0.02 0.01 0.01 0.00 -0.01 0.01 0.00 -0.02 0.01 0.03 0.02 0.01 -0.00 -0.02 0.01 0.02 -0.00 -0.02 -0.01 -0.01 0.01 -0.01 -0.00 0.00 -0.09 -0.00 -0.02 -0.06 -0.10 -0.06 0.07 0.03 -0.04 0.00 0.00 0.06 -0.02 0.06 0.05 -0.10 -0.03 0.02 0.09 0.02 -0.04 -0.01 0.03 0.04 0.02 0.15 -0.09 -0.08 -0.03 0.03 0.09 -0.00 0.01 -0.14 0.05 -0.05 0.13 -0.07 0.29 -0.01 0.01 -0.00 -0.02 0.00 0.00 -0.02 -0.00 0.01 -0.01 -0.02 -0.00 -0.01 -0.03 -0.00 -0.01 -0.02 -0.00 -0.01 -0.02 -0.00 -0.11 -0.08 -0.05 -0.06 0.09 -0.04 0.01 0.12 -0.02 0.01 0.01 0.10 0.02 -0.10 -0.04 -0.01 -0.03 0.02 -0.23 0.04 0.21 -0.00 0.12 -0.09 -0.01 -0.03 0.02 -0.22 -0.21 -0.13 0.00 0.13 -0.09 0.06 0.23 -0.13 -0.26 -0.19 -0.10 0.06 0.22 -0.17 -0.29 0.01 0.20 0.09 0.10 -0.07 0.03 0.03 -0.02 -0.24 0.07 0.19 -0.22 -0.13 -0.11 -0.02 -0.07 -0.09 0.26 -0.05 -0.20 0.26 0.15 0.13 0.14 -0.12 -0.23 -0.04 -0.02 0.04 -0.06 -0.02 0.08 0.03 -0.00 0.06 0.02 0.06 0.06 -0.02 0.00 0.02 0.07 -0.06 0.06 -0.03 0.01 -0.09 -0.03 0.04 -0.04 0.16 -0.17 0.14 0.01 -0.01 0.01 0.01 0.01 0.00 0.00 0.02 -0.00 -0.01 -0.00 0.00 0.01 0.01 0.00 -0.03 -0.19 -0.16 -0.22 0.05 0.22 0.24 0.12 0.18 -0.02 -0.00 -0.06 0.00 0.02 0.01 0.00 0.02 -0.02 0.11 -0.03 -0.12 -0.04 -0.09 0.05 0.00 0.00 -0.00 0.04 0.03 0.01 0.04 -0.01 -0.00 -0.03 -0.13 0.06 0.14 0.10 0.04 -0.02 -0.05 0.03 0.05 -0.01 -0.04 -0.03 -0.04 0.02 -0.01 -0.01 -0.00 0.01 0.09 -0.07 0.05 -0.03 0.02 -0.03 0.11 -0.08 0.02 -0.03 0.04 -0.01 0.10 -0.04 0.11 -0.35 0.27 -0.06 -0.07 -0.02 -0.23 -0.08 0.14 -0.13 0.20 -0.10 0.01 -0.10 0.07 0.12 0.01 -0.01 -0.20 0.12 -0.10 0.15 0.02 0.31 -0.01 0.04 -0.01 -0.00 -0.00 0.02 -0.02 -0.01 0.01 -0.02 -0.03 -0.00 -0.02 -0.03 -0.00 -0.02 -0.03 -0.00 -0.02 -0.03 -0.00 0.16 -0.39 0.25 0.04 0.09 -0.05 0.02 0.10 -0.06 -0.01 -0.02 -0.05 -0.02 0.05 0.03 -0.01 -0.00 -0.02 0.07 -0.01 -0.07 -0.03 -0.06 -0.01 -0.01 0.01 0.01 0.07 0.07 0.04 -0.03 -0.02 0.06 -0.06 -0.09 0.05 0.08 0.06 0.02 -0.06 -0.09 0.07 0.09 0.00 -0.06 -0.01 -0.05 0.04 0.00 -0.01 0.00 0.04 -0.09 -0.05 0.01 -0.01 -0.12 0.10 -0.07 0.05 0.01 0.11 0.05 0.04 0.01 0.10 -0.09 0.16 -0.03 -0.06 0.10 -0.06 -0.17 0.19 -0.29 -0.15 0.02 -0.07 -0.11 0.08 -0.06 0.16 -0.05 0.07 -0.11 -0.17 0.06 0.19 -0.10 0.40 0.00 -0.04 -0.02 -0.05 -0.12 0.01 -0.03 0.01 0.02 -0.01 -0.02 -0.00 -0.02 -0.07 -0.02 0.02 0.00 -0.01 0.02 -0.00 -0.01 -0.09 0.09 -0.15 0.18 -0.12 0.07 0.18 -0.11 0.10 -0.03 -0.03 -0.11 -0.04 0.09 0.06 -0.04 -0.03 -0.03 0.05 -0.02 -0.12 -0.03 -0.06 -0.06 -0.04 0.02 0.04 0.04 0.11 0.07 -0.04 0.04 0.08 -0.14 -0.16 0.09 0.09 0.05 0.03 -0.15 -0.15 0.11 0.09 -0.01 -0.05 0.01 -0.03 0.02 0.01 -0.00 0.00 -0.02 0.03 0.01 -0.00 -0.01 0.06 -0.05 0.06 -0.04 0.02 -0.05 -0.03 0.00 0.01 -0.05 0.08 -0.09 0.02 -0.06 0.22 -0.03 -0.15 0.39 -0.60 -0.12 -0.24 0.04 0.05 -0.06 0.04 0.01 -0.06 0.07 0.08 -0.32 0.17 0.01 -0.13 0.06 0.01 -0.12 0.00 -0.10 -0.11 -0.04 -0.01 0.02 0.00 0.01 0.02 0.00 0.01 -0.04 -0.02 0.05 0.04 -0.01 0.04 0.03 -0.00 0.02 -0.01 0.04 -0.09 0.14 -0.09 -0.06 0.09 -0.08 0.01 0.01 0.03 0.01 -0.03 -0.02 0.01 0.01 0.01 -0.00 0.01 0.03 0.01 0.01 0.03 0.02 -0.00 -0.01 -0.00 -0.03 -0.02 0.02 -0.02 -0.02 0.04 0.04 -0.02 -0.01 -0.00 -0.00 0.05 0.04 -0.03 -0.02 0.00 0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.04 0.09 0.01 0.12 0.09 -0.06 -0.09 0.06 0.00 -0.04 -0.13 0.00 -0.08 -0.06 0.08 0.04 -0.14 -0.19 -0.07 -0.04 -0.32 -0.08 0.10 -0.24 0.20 -0.11 0.06 0.10 -0.06 0.19 -0.02 0.05 -0.21 0.03 -0.05 0.22 0.06 0.40 -0.01 0.04 -0.04 0.02 -0.08 0.05 -0.03 0.00 0.03 -0.03 -0.04 -0.00 -0.03 -0.07 -0.02 -0.01 -0.03 -0.00 -0.01 -0.03 -0.01 0.11 0.10 0.05 -0.06 -0.16 0.14 -0.08 -0.17 0.08 0.02 0.03 0.08 0.03 -0.07 -0.05 0.03 0.02 0.03 -0.05 0.01 0.09 0.06 0.07 0.06 0.03 -0.01 -0.03 -0.04 -0.08 -0.04 0.06 -0.04 -0.08 0.12 0.13 -0.08 -0.08 -0.05 -0.02 0.12 0.12 -0.08 -0.08 -0.00 0.04 -0.03 0.05 -0.03 -0.02 0.00 -0.00 0.01 -0.04 0.03 0.02 -0.08 0.05 -0.00 0.00 0.00 -0.02 0.07 -0.05 -0.01 0.04 -0.03 0.15 -0.49 0.35 -0.00 -0.01 0.01 0.02 -0.02 0.03 -0.02 0.00 -0.00 0.00 0.00 0.00 0.01 0.00 -0.01 -0.02 0.02 -0.01 0.01 0.02 0.02 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.15 0.52 -0.34 -0.07 0.24 -0.16 0.06 -0.24 0.17 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.00 0.02 0.01 -0.01 0.00 0.00 0.00 0.01 0.00 0.01 -0.01 -0.00 0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.02 -0.04 0.02 0.03 -0.09 0.06 -0.06 0.15 -0.11 0.03 -0.10 0.07 0.02 -0.04 0.04 -0.14 0.48 -0.34 -0.03 -0.04 -0.02 -0.00 -0.08 0.11 -0.02 0.07 -0.04 -0.01 0.06 -0.04 0.04 -0.01 0.02 -0.02 0.03 -0.00 0.04 0.00 0.04 -0.01 0.02 -0.01 0.04 -0.01 0.02 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.12 0.46 -0.30 -0.05 0.24 -0.16 -0.05 0.26 -0.18 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 0.01 -0.01 0.01 0.02 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.03 0.01 -0.01 0.00 -0.03 0.01 -0.00 -0.01 0.01 0.03 0.02 0.00 -0.01 -0.03 0.03 0.05 0.01 -0.03 -0.01 -0.05 0.03 0.00 -0.00 0.00 -0.01 0.00 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.02 -0.03 0.00 0.00 0.00 -0.01 -0.03 0.01 0.00 0.02 0.02 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.02 -0.01 0.01 -0.01 -0.02 -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 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 -0.02 0.00 -0.02 -0.01 0.01 0.03 -0.00 0.00 0.09 -0.06 -0.00 -0.08 0.02 -0.06 0.09 0.01 0.05 -0.25 0.05 0.21 0.06 0.13 -0.33 -0.09 0.04 0.03 0.23 0.19 0.13 -0.03 -0.35 -0.01 0.11 0.35 -0.10 -0.22 -0.18 -0.09 -0.12 -0.22 0.29 0.23 -0.01 -0.18 0.00 -0.04 -0.05 -0.00 0.03 0.04 -0.01 -0.01 -0.01 -0.02 -0.01 -0.00 -0.00 0.02 0.00 0.02 -0.02 0.00 0.01 -0.01 -0.02 0.03 0.09 -0.05 0.01 0.01 0.20 0.25 0.06 -0.16 -0.09 -0.44 0.26 -0.00 0.01 -0.01 0.07 0.10 -0.16 -0.27 -0.03 -0.19 0.10 0.52 0.13 0.08 -0.05 -0.01 -0.19 -0.10 -0.06 -0.07 0.04 0.05 -0.05 -0.07 -0.01 -0.07 -0.20 -0.06 0.02 -0.02 -0.02 0.02 -0.04 -0.02 -0.05 0.01 -0.01 -0.00 -0.02 -0.00 0.01 -0.01 -0.02 0.01 -0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.01 0.02 0.01 0.01 -0.04 -0.01 0.00 0.01 0.02 0.01 0.00 0.02 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.01 -0.00 -0.01 -0.02 0.03 0.02 -0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.06 -0.03 -0.06 0.01 -0.02 -0.05 -0.03 -0.02 0.01 0.01 0.04 0.04 0.06 0.05 0.05 -0.05 -0.00 0.04 -0.01 0.00 0.01 0.02 0.00 -0.01 0.02 -0.02 0.02 -0.00 0.00 -0.00 0.01 0.01 -0.01 -0.02 -0.01 -0.01 0.01 0.04 0.01 0.01 -0.00 -0.00 -0.02 -0.00 -0.01 -0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.06 -0.02 -0.02 0.15 0.01 -0.02 0.15 0.01 0.02 -0.15 0.05 0.12 -0.13 -0.09 -0.10 0.03 0.14 0.07 0.03 -0.10 -0.08 -0.32 -0.24 0.37 0.03 -0.02 -0.15 0.04 0.06 0.12 -0.24 -0.44 0.04 0.03 0.26 0.03 0.08 0.06 -0.06 0.00 0.02 -0.23 0.08 0.07 -0.04 -0.11 -0.03 0.01 0.19 -0.03 0.02 0.01 0.01 -0.01 0.01 -0.02 -0.02 -0.01 0.00 0.01 -0.00 -0.00 -0.00 0.01 0.01 0.02 -0.11 -0.05 -0.04 0.01 -0.01 -0.02 -0.15 0.02 -0.01 0.17 -0.01 0.03 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.01 -0.03 0.02 -0.00 0.07 -0.03 0.01 -0.01 -0.01 -0.01 -0.03 -0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.03 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.12 -0.02 -0.08 0.04 -0.04 0.04 0.03 0.01 0.00 0.13 0.02 -0.06 -0.12 -0.08 -0.03 -0.08 -0.09 -0.01 0.12 0.13 0.05 0.39 0.28 -0.11 0.09 0.03 -0.08 -0.12 -0.00 0.14 -0.32 -0.26 0.13 -0.27 -0.17 0.16 -0.05 -0.01 0.09 0.30 0.24 -0.07 0.06 0.09 0.03 -0.03 0.04 0.07 -0.01 0.05 0.07 0.00 0.04 0.02 0.02 -0.00 0.01 0.00 -0.01 -0.02 -0.03 0.01 0.02 -0.01 0.02 0.03 -0.06 -0.02 0.01 0.03 -0.05 -0.07 -0.57 0.07 -0.01 0.65 -0.01 0.11 0.00 -0.00 -0.01 -0.00 0.05 0.02 0.07 -0.13 0.08 -0.02 0.28 -0.14 0.04 -0.05 -0.04 -0.03 -0.12 -0.02 -0.03 0.03 0.03 -0.03 -0.03 -0.00 -0.04 -0.14 -0.04 0.03 0.01 -0.02 0.03 -0.00 -0.01 0.04 0.06 -0.05 0.00 -0.05 0.07 0.00 0.02 0.02 -0.02 -0.00 0.01 0.03 0.02 0.01 0.01 0.01 -0.00 -0.01 -0.03 -0.01 -0.05 -0.04 0.04 -0.01 -0.00 0.02 0.01 -0.00 -0.03 0.05 0.06 -0.02 0.05 0.02 -0.03 0.01 0.01 -0.01 -0.05 -0.04 0.01 -0.02 -0.02 0.00 0.00 -0.01 -0.01 -0.00 -0.01 -0.01 -0.06 -0.02 0.09 -0.01 0.06 0.06 0.12 0.03 -0.01 -0.01 -0.03 -0.08 -0.05 -0.09 -0.03 -0.12 -0.19 -0.08 -0.00 -0.00 -0.01 0.01 -0.02 0.04 0.01 0.01 -0.01 0.01 0.02 -0.01 0.00 0.00 0.01 0.02 -0.02 0.02 -0.00 0.07 -0.04 0.01 -0.00 -0.01 0.02 -0.03 0.00 -0.01 0.01 0.01 -0.01 -0.01 0.00 -0.01 -0.03 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.08 -0.03 0.19 -0.25 0.19 -0.14 -0.23 0.16 -0.12 -0.00 -0.03 -0.08 -0.05 0.04 0.05 -0.09 0.05 0.07 0.03 0.03 -0.03 -0.24 -0.16 -0.19 -0.06 -0.05 -0.10 -0.00 0.04 0.02 -0.33 0.04 0.23 -0.30 0.07 0.21 -0.05 0.04 0.05 -0.21 -0.13 -0.18 -0.03 -0.01 -0.05 0.17 0.03 0.00 0.12 -0.03 0.04 0.04 -0.10 0.04 -0.02 0.04 -0.06 -0.02 -0.01 0.01 -0.02 0.06 -0.00 0.03 -0.05 0.05 0.09 -0.16 0.18 -0.02 0.00 -0.03 0.20 -0.08 0.11 0.01 0.04 -0.03 0.01 0.02 -0.01 0.01 0.00 0.04 0.04 -0.04 0.06 -0.00 0.20 -0.09 0.03 -0.01 -0.03 0.04 -0.06 0.00 -0.02 0.02 0.02 -0.02 -0.02 -0.00 -0.03 -0.09 -0.03 0.01 0.00 -0.01 0.02 -0.01 -0.01 0.11 -0.29 0.13 -0.11 0.52 -0.36 -0.06 0.38 -0.26 0.00 0.01 0.02 0.01 -0.01 -0.01 0.02 -0.01 -0.02 0.00 -0.00 0.01 0.05 0.04 0.03 0.02 0.01 0.02 0.00 -0.01 0.00 0.06 -0.01 -0.04 0.06 -0.02 -0.05 0.01 -0.01 -0.01 0.06 0.04 0.04 0.01 0.00 0.01 -0.04 -0.00 -0.00 -0.03 0.01 -0.01 -0.01 0.04 -0.02 0.01 -0.02 0.02 -0.01 -0.00 -0.00 -0.01 0.06 -0.04 0.03 -0.10 0.08 0.09 -0.26 0.19 0.00 -0.02 0.05 -0.26 0.09 -0.11 0.10 -0.15 0.11 -0.01 0.02 -0.02 0.00 -0.01 -0.07 -0.10 0.07 -0.11 0.02 -0.26 0.13 -0.03 0.02 0.05 -0.06 0.08 0.00 0.02 -0.03 -0.02 0.02 0.02 -0.00 0.04 0.12 0.04 -0.02 -0.01 0.02 -0.03 0.00 0.01 -0.02 0.11 -0.08 0.07 -0.20 0.15 -0.13 0.56 -0.39 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.01 -0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.01 -0.00 -0.00 0.00 0.01 -0.00 0.02 0.01 -0.01 0.00 -0.00 -0.00 0.01 0.00 0.01 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 -0.08 0.06 -0.00 0.05 -0.02 -0.00 -0.00 -0.00 0.01 -0.03 0.01 -0.01 0.05 -0.02 -0.06 0.11 -0.10 0.01 -0.03 0.05 -0.42 0.12 -0.13 0.22 -0.18 0.15 -0.02 0.02 -0.02 0.00 -0.01 -0.08 -0.11 0.07 -0.13 0.03 -0.31 0.16 -0.04 0.02 0.06 -0.07 0.10 0.00 0.03 -0.03 -0.03 0.03 0.03 -0.00 0.05 0.14 0.05 -0.03 -0.01 0.02 -0.04 -0.00 0.01 0.09 -0.18 0.12 -0.12 0.44 -0.28 0.08 -0.23 0.17 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.02 -0.02 -0.04 0.00 0.01 0.02 -0.03 -0.01 0.01 0.00 -0.01 -0.02 0.02 0.03 0.04 -0.07 -0.04 -0.05 0.00 0.00 -0.00 0.04 -0.01 0.01 0.04 -0.00 0.01 -0.02 -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 -0.00 0.00 -0.00 0.00 -0.06 0.02 0.05 0.03 -0.02 -0.03 0.03 0.02 0.03 -0.02 -0.14 -0.07 -0.04 0.02 0.15 0.11 0.10 0.02 -0.33 -0.09 0.09 -0.18 -0.11 -0.35 0.12 0.02 -0.09 -0.33 -0.13 0.04 -0.21 0.27 0.21 0.26 0.22 -0.13 -0.05 0.02 -0.03 0.27 0.22 -0.14 -0.05 0.04 -0.01 -0.02 -0.01 0.00 -0.08 -0.02 0.01 -0.04 0.08 0.13 -0.03 -0.12 -0.17 -0.04 -0.01 0.01 -0.05 0.10 0.18 -0.03 -0.09 -0.13 0.35 0.35 0.30 -0.05 -0.01 0.01 -0.10 0.01 -0.03 -0.07 -0.01 0.00 0.15 0.03 -0.01 0.00 -0.01 -0.00 -0.02 0.02 -0.01 0.00 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.02 0.01 -0.00 -0.00 0.00 -0.01 0.00 0.00 0.38 -0.14 -0.40 -0.00 0.09 0.16 0.01 -0.14 -0.12 0.01 -0.04 -0.03 0.00 0.01 0.05 -0.01 0.05 0.04 -0.04 0.04 0.07 -0.00 0.01 -0.12 0.00 -0.01 -0.07 -0.04 -0.05 -0.05 -0.01 0.11 0.04 -0.05 0.09 0.05 -0.04 0.04 0.03 -0.03 -0.02 -0.10 -0.03 -0.01 -0.05 0.01 0.00 -0.00 0.01 -0.02 0.02 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 0.01 0.01 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.02 -0.01 0.01 0.02 -0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.02 -0.01 -0.00 -0.01 -0.00 -0.01 0.02 -0.01 0.01 -0.02 0.11 -0.07 0.03 -0.09 0.08 0.03 -0.09 0.10 0.07 -0.14 -0.34 0.12 0.01 0.28 -0.04 0.10 -0.07 -0.02 -0.27 -0.27 -0.10 0.28 0.07 -0.05 0.31 -0.01 -0.16 -0.31 -0.14 0.00 -0.13 0.25 0.15 -0.04 -0.34 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.01 -0.02 -0.06 -0.02 -0.01 0.00 -0.06 -0.01 -0.00 -0.02 -0.00 0.01 0.01 0.05 0.06 -0.04 -0.01 0.00 -0.11 0.07 -0.06 0.33 -0.12 0.24 0.49 -0.32 0.20 0.05 -0.02 0.01 0.02 -0.08 -0.04 -0.13 -0.21 -0.02 0.03 -0.13 0.07 0.03 0.09 0.03 0.08 0.15 0.01 0.00 0.02 0.01 -0.01 -0.03 -0.01 -0.00 0.02 0.01 -0.06 -0.06 0.00 -0.05 -0.05 -0.00 -0.02 -0.00 0.00 -0.02 -0.11 -0.05 -0.03 0.03 0.11 0.06 -0.00 -0.02 0.06 0.04 -0.00 -0.04 0.03 0.06 0.03 0.07 0.06 0.14 0.11 -0.08 -0.03 -0.06 -0.04 0.05 0.01 -0.06 0.14 0.08 -0.06 -0.12 0.08 0.10 -0.11 0.02 0.07 -0.12 -0.06 -0.16 -0.14 -0.06 0.01 -0.03 -0.00 -0.00 0.01 -0.02 0.01 -0.03 0.02 0.03 -0.03 -0.02 -0.01 0.09 0.01 -0.01 -0.03 0.01 0.03 -0.03 -0.02 -0.02 -0.19 -0.06 -0.03 -0.09 0.05 -0.04 0.16 -0.07 0.15 0.26 -0.22 0.13 0.11 0.00 -0.00 0.01 -0.06 -0.03 -0.10 -0.14 -0.02 0.01 -0.10 0.04 0.03 0.07 0.02 0.07 0.12 0.00 0.00 0.02 0.01 -0.01 -0.03 -0.01 -0.00 0.01 0.01 -0.04 -0.05 0.00 -0.04 -0.04 -0.00 -0.15 0.00 0.04 -0.13 -0.09 0.01 -0.12 -0.03 0.05 -0.08 -0.00 0.04 -0.09 -0.05 -0.01 0.04 -0.06 -0.11 -0.01 -0.07 -0.04 -0.26 -0.18 0.08 0.03 0.10 0.08 -0.03 -0.01 0.06 -0.27 -0.13 0.13 0.17 -0.19 -0.15 0.20 0.00 -0.10 0.17 0.07 0.28 0.22 0.10 0.00 0.08 0.01 -0.01 -0.02 0.03 -0.02 -0.00 0.01 0.02 0.02 0.01 0.00 0.00 0.00 0.00 0.02 -0.00 -0.01 0.00 -0.02 -0.02 0.10 0.04 0.01 0.06 -0.03 0.02 -0.19 0.06 -0.10 -0.24 0.10 -0.09 -0.06 -0.00 -0.00 -0.09 -0.05 -0.04 0.01 -0.32 0.06 -0.07 -0.52 0.05 0.14 0.10 -0.02 0.37 0.27 -0.06 0.02 0.13 0.06 -0.10 -0.13 -0.01 -0.13 -0.31 -0.09 -0.00 -0.06 -0.05 0.02 -0.07 -0.02 0.10 0.00 -0.03 0.05 0.07 0.04 0.06 -0.01 -0.08 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 -0.02 -0.02 -0.01 0.01 0.01 0.01 0.01 -0.00 -0.01 -0.02 0.00 0.02 0.02 -0.01 -0.01 0.01 0.02 -0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.01 -0.01 -0.02 0.01 0.01 0.01 -0.04 -0.01 0.01 0.01 -0.01 -0.02 0.01 0.01 0.01 0.08 0.02 0.01 0.01 0.00 -0.00 0.03 -0.00 0.00 0.03 0.01 -0.00 -0.04 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.01 0.01 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.06 0.00 -0.01 0.03 0.01 -0.01 0.02 0.01 0.00 0.02 -0.10 0.10 0.03 -0.12 0.06 -0.05 0.08 -0.11 -0.04 0.12 0.33 0.05 0.10 -0.16 -0.06 0.13 -0.04 -0.01 -0.27 -0.24 0.04 0.19 -0.03 -0.16 -0.28 0.11 0.24 0.31 0.09 -0.16 -0.21 0.21 0.26 0.03 -0.30 -0.02 0.07 -0.05 0.05 -0.05 0.04 0.04 -0.05 -0.08 -0.09 -0.04 -0.03 -0.02 0.00 0.01 -0.06 0.00 0.03 0.01 0.05 0.06 -0.26 -0.11 -0.03 -0.01 -0.06 0.07 -0.21 0.11 -0.38 -0.18 0.34 -0.08 0.19 0.05 -0.01 -0.03 -0.00 0.00 -0.01 0.17 -0.05 -0.04 -0.07 -0.06 0.02 -0.01 -0.02 0.11 0.05 -0.03 0.01 0.02 0.01 -0.03 -0.01 0.01 -0.04 -0.13 -0.04 0.05 0.03 -0.02 0.06 0.02 -0.00 -0.43 -0.04 0.16 -0.07 -0.11 -0.16 -0.24 0.10 0.23 0.03 -0.00 -0.00 0.03 -0.00 0.00 -0.01 -0.00 0.00 0.03 0.05 0.05 -0.01 0.01 -0.07 -0.01 -0.00 -0.00 0.04 -0.03 -0.06 0.01 0.06 0.00 -0.05 -0.01 0.03 -0.02 0.00 0.02 -0.04 -0.04 0.00 -0.01 -0.02 -0.02 0.00 0.02 -0.00 0.00 -0.00 0.00 0.05 -0.00 -0.02 -0.05 -0.03 -0.03 0.00 0.03 0.05 0.07 -0.02 -0.05 -0.05 -0.03 -0.03 0.47 0.20 0.07 -0.00 0.00 -0.03 -0.09 -0.01 0.08 0.15 -0.09 0.03 -0.03 0.03 0.05 0.00 -0.01 0.01 -0.01 0.09 -0.03 0.00 -0.01 -0.02 0.00 -0.01 -0.01 0.03 0.01 -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 -0.03 -0.01 0.02 0.02 -0.00 0.02 0.01 -0.00 -0.40 -0.02 0.16 0.40 0.21 0.14 -0.38 0.01 0.18 0.01 0.00 -0.02 -0.02 -0.02 -0.01 -0.00 -0.01 0.01 0.03 0.04 0.01 -0.10 -0.06 -0.06 0.00 0.02 -0.01 -0.05 0.01 0.06 0.10 -0.05 -0.07 -0.02 0.02 0.01 -0.01 -0.04 -0.02 0.03 0.01 0.03 0.02 0.00 -0.04 0.00 0.02 0.03 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 0.01 0.01 0.00 -0.06 -0.02 -0.01 -0.00 0.05 -0.01 -0.10 -0.02 0.29 -0.07 -0.38 0.06 0.00 -0.00 -0.01 0.00 0.00 0.02 0.03 0.50 -0.13 0.00 -0.22 0.03 0.02 -0.05 -0.05 0.23 0.07 -0.08 0.00 -0.03 0.00 -0.06 0.06 0.03 -0.10 -0.39 -0.08 0.24 0.25 -0.03 0.22 0.03 -0.00 0.06 0.00 -0.03 -0.07 -0.05 -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 -0.01 -0.01 -0.00 0.02 0.01 0.01 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -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 -0.04 0.00 0.06 -0.03 -0.08 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.10 -0.03 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.04 0.02 -0.02 -0.03 0.03 -0.05 0.05 -0.05 0.12 -0.15 0.07 -0.27 -0.24 -0.47 -0.34 0.13 0.66 0.03 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 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.02 -0.01 -0.02 -0.02 -0.01 -0.01 -0.00 -0.00 0.00 -0.01 0.00 0.01 0.01 0.01 0.01 -0.08 -0.03 -0.01 0.06 0.03 -0.04 -0.36 -0.04 0.49 -0.45 -0.44 -0.09 0.04 0.02 -0.01 -0.01 0.03 0.00 0.07 -0.20 0.09 -0.01 0.04 0.01 -0.00 -0.01 0.01 -0.17 -0.12 0.04 0.00 0.03 0.01 0.02 -0.03 -0.04 0.07 0.18 0.07 -0.10 -0.08 0.05 -0.13 -0.10 -0.01 -0.12 -0.01 0.05 -0.02 -0.03 -0.04 -0.04 0.02 0.04 0.01 -0.00 0.00 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.01 0.01 0.01 0.01 -0.02 -0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.02 -0.00 -0.02 0.00 0.01 -0.01 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 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.01 -0.04 -0.05 -0.01 0.18 -0.13 0.11 0.05 0.10 -0.01 0.02 0.01 0.00 -0.01 0.19 -0.04 0.22 -0.52 0.23 0.04 -0.48 0.32 0.03 -0.04 0.01 -0.19 -0.14 0.00 -0.01 -0.05 -0.03 -0.02 0.05 0.04 -0.06 -0.19 -0.07 0.10 0.09 -0.07 0.15 0.12 0.01 -0.05 -0.00 0.01 0.00 0.01 -0.01 -0.04 0.01 0.02 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.03 0.02 0.00 -0.03 -0.02 -0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 0.00 -0.00 0.01 0.00 -0.00 -0.02 -0.01 -0.01 0.01 0.02 0.02 0.01 -0.00 -0.01 -0.01 -0.01 -0.01 -0.00 0.00 -0.02 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.02 0.01 0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 0.00 -0.02 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.04 -0.02 0.02 0.11 0.06 0.04 -0.07 -0.00 0.03 -0.10 -0.07 -0.01 0.09 0.02 -0.06 0.14 -0.05 -0.14 -0.37 -0.28 -0.11 0.23 0.12 0.14 -0.13 -0.12 -0.11 0.36 0.02 -0.25 -0.21 0.07 0.12 -0.10 -0.01 0.03 0.29 0.04 -0.13 0.11 0.04 0.01 -0.28 -0.14 -0.04 -0.00 0.05 0.08 -0.01 0.13 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.06 0.00 0.01 0.21 -0.04 -0.02 0.20 0.03 0.08 -0.00 -0.00 0.00 -0.02 0.08 0.05 0.17 0.54 -0.06 -0.01 -0.45 0.15 -0.02 -0.10 -0.05 -0.22 -0.29 0.01 0.06 0.13 0.03 0.01 -0.11 -0.06 0.06 0.19 0.07 -0.14 -0.17 0.05 -0.19 -0.14 -0.03 0.04 -0.00 -0.02 0.00 0.00 0.01 0.02 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.02 0.00 -0.01 -0.02 -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 0.03 0.03 0.04 -0.05 -0.01 -0.00 -0.01 0.01 0.01 -0.04 -0.01 0.00 0.03 -0.03 -0.05 -0.36 -0.18 -0.10 -0.01 0.01 -0.01 0.03 -0.01 0.02 0.03 -0.02 0.01 0.01 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 0.00 0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.00 0.01 0.01 -0.00 0.02 0.02 -0.00 -0.29 -0.01 0.13 0.47 0.30 0.25 0.44 -0.10 -0.31 0.02 -0.01 -0.01 0.03 -0.01 -0.01 -0.01 0.01 0.01 -0.02 0.01 0.01 0.00 0.00 -0.04 0.00 -0.00 0.02 0.09 -0.02 -0.07 -0.08 0.04 0.05 -0.00 0.00 0.01 -0.05 0.01 0.03 -0.03 -0.02 0.01 0.02 0.00 0.02 -0.01 0.02 0.01 0.00 -0.01 -0.02 -0.02 -0.03 -0.04 0.02 -0.02 -0.04 0.01 0.07 0.10 0.02 -0.02 -0.03 0.00 -0.01 -0.01 -0.14 -0.09 -0.09 0.00 -0.00 -0.00 -0.03 0.00 0.00 0.02 0.00 -0.00 -0.00 0.02 0.02 -0.00 0.00 0.00 -0.00 -0.02 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -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 0.35 -0.05 -0.20 -0.05 -0.06 -0.05 -0.27 0.04 0.15 -0.06 -0.06 -0.11 0.05 -0.08 -0.09 -0.02 0.11 0.05 -0.39 -0.22 -0.14 0.25 0.10 0.07 0.02 0.02 0.12 0.33 -0.02 -0.15 -0.17 -0.03 0.04 0.01 0.07 0.04 -0.17 0.08 0.07 -0.01 0.02 0.07 0.17 0.05 0.09 -0.00 0.10 0.15 0.01 -0.08 -0.11 0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.01 0.01 0.02 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.12 0.00 -0.07 -0.03 -0.02 -0.01 0.07 -0.00 -0.04 -0.02 -0.05 -0.01 0.04 0.00 -0.05 0.02 -0.01 0.03 0.24 0.20 0.14 -0.21 -0.14 -0.13 -0.03 0.03 0.00 -0.20 0.05 0.17 0.16 -0.04 -0.12 -0.26 0.17 0.17 0.30 -0.15 -0.28 0.25 0.11 0.24 -0.28 -0.22 -0.24 -0.00 0.05 0.06 0.00 -0.02 -0.03 0.01 -0.02 -0.03 0.00 -0.00 0.00 -0.10 -0.01 0.03 -0.00 -0.01 -0.01 0.02 0.02 0.02 0.10 0.06 0.02 0.01 0.00 -0.00 -0.03 0.01 0.01 -0.02 -0.02 -0.01 -0.02 0.00 0.01 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.01 -0.01 0.02 -0.00 -0.01 0.07 0.03 -0.02 -0.03 -0.01 0.01 0.02 0.01 -0.00 0.02 0.04 0.01 -0.03 -0.02 0.02 -0.04 -0.01 0.00 0.17 0.00 -0.11 0.04 -0.00 -0.02 0.02 0.02 0.02 0.01 -0.00 -0.01 -0.00 -0.01 0.01 -0.00 -0.05 0.02 0.36 0.24 0.10 -0.37 -0.21 -0.19 -0.01 -0.05 0.02 0.45 -0.01 -0.28 -0.29 0.09 0.17 0.13 -0.03 -0.09 0.00 -0.09 -0.05 0.02 0.02 -0.02 0.11 0.09 0.17 0.02 0.06 -0.02 -0.00 0.03 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.02 -0.01 0.00 0.01 0.00 -0.00 -0.00 0.01 0.01 0.05 0.02 0.01 0.01 0.01 -0.01 -0.01 0.01 0.01 -0.02 -0.01 -0.02 -0.01 -0.00 -0.00 0.02 -0.04 0.01 -0.07 -0.11 0.01 0.00 0.27 -0.08 -0.15 0.05 0.10 -0.50 -0.21 0.18 0.21 0.07 -0.09 -0.14 -0.09 0.03 -0.17 -0.35 -0.07 0.26 0.13 -0.18 0.33 0.06 -0.04 0.07 -0.00 -0.03 -0.01 -0.01 -0.01 -0.02 0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.01 0.08 0.05 0.02 -0.08 -0.04 -0.05 -0.00 -0.01 0.01 0.11 -0.00 -0.06 -0.08 0.02 0.05 0.02 -0.00 -0.01 0.00 -0.02 -0.02 0.02 0.01 0.01 0.02 0.02 0.03 0.00 0.02 -0.00 0.00 0.01 -0.00 -0.02 -0.02 -0.01 0.02 -0.01 -0.03 0.01 0.05 0.07 -0.02 -0.02 -0.02 0.02 -0.01 -0.02 -0.22 -0.14 -0.08 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.03 0.00 0.01 0.00 0.02 0.03 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.18 -0.01 -0.12 -0.01 -0.01 -0.00 0.00 -0.00 -0.02 0.00 0.01 -0.04 0.02 -0.04 -0.01 0.01 -0.05 -0.02 0.06 0.04 -0.03 -0.28 -0.19 -0.11 -0.01 0.01 -0.06 -0.26 -0.05 0.12 0.39 -0.06 -0.25 0.31 -0.11 -0.21 -0.19 0.01 0.14 -0.32 -0.21 -0.18 0.12 0.09 -0.01 -0.01 0.03 0.07 -0.00 0.04 0.07 -0.00 0.00 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 -0.04 -0.02 -0.00 0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -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 0.01 0.03 0.03 0.02 -0.06 0.00 0.03 -0.03 -0.04 0.01 -0.00 -0.03 0.01 0.04 -0.01 0.03 0.08 0.06 0.07 0.13 0.08 0.03 0.05 -0.02 0.00 -0.04 -0.05 -0.01 0.07 -0.02 -0.03 -0.29 0.23 0.17 0.40 -0.11 -0.28 -0.37 -0.17 -0.33 0.35 0.24 0.21 -0.00 0.01 -0.01 -0.07 0.05 -0.03 0.00 -0.00 -0.00 0.06 -0.01 -0.04 0.01 -0.00 -0.01 -0.06 -0.04 -0.03 0.00 -0.01 -0.01 0.23 0.11 0.06 -0.00 -0.01 -0.01 -0.03 0.01 -0.01 0.06 0.00 0.02 -0.00 0.06 0.09 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.28 0.00 0.13 -0.37 -0.23 -0.17 0.40 -0.07 -0.26 0.04 0.02 -0.00 -0.04 -0.02 0.02 0.02 -0.00 -0.02 -0.23 -0.11 -0.03 -0.16 -0.14 -0.02 -0.00 -0.02 -0.01 0.19 -0.01 -0.10 0.20 0.02 -0.14 -0.24 0.02 0.16 -0.03 -0.01 -0.01 0.08 0.08 -0.03 0.15 0.08 0.06 -0.01 0.03 0.04 -0.01 0.00 -0.02 -0.10 -0.07 -0.07 0.04 -0.02 -0.04 -0.01 0.12 0.17 -0.03 -0.03 -0.03 0.11 -0.03 -0.08 -0.29 -0.17 -0.12 -0.00 -0.00 -0.01 -0.05 0.00 0.01 0.06 0.00 0.01 0.00 0.06 0.09 0.00 -0.00 0.01 -0.03 -0.02 0.00 -0.00 -0.00 -0.04 0.00 0.01 0.00 -0.03 -0.02 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.29 -0.04 -0.18 0.22 0.10 0.09 -0.24 0.05 0.13 0.07 0.06 0.10 -0.07 0.06 0.08 -0.02 -0.01 -0.02 -0.25 -0.16 -0.01 -0.09 -0.06 0.08 0.03 -0.01 -0.01 0.19 0.04 -0.13 0.09 0.08 -0.02 -0.28 0.03 0.15 0.24 0.00 -0.11 0.18 0.10 0.04 -0.19 -0.09 -0.03 0.00 -0.10 -0.14 -0.01 -0.01 -0.01 -0.02 -0.02 -0.03 0.04 -0.02 -0.04 0.00 0.03 0.05 -0.03 -0.03 -0.03 0.03 -0.02 -0.04 0.14 0.07 0.02 -0.00 -0.01 -0.01 -0.05 0.01 -0.00 0.06 0.00 0.01 -0.00 0.07 0.10 0.00 -0.00 0.00 -0.03 -0.00 -0.00 -0.00 -0.01 -0.03 0.00 0.00 0.00 -0.02 -0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.18 -0.01 0.07 -0.19 -0.13 -0.10 0.19 -0.04 -0.14 -0.06 -0.05 -0.01 0.03 0.01 -0.03 -0.04 0.01 0.04 0.27 0.14 0.05 0.33 0.25 0.04 0.03 0.03 0.01 -0.12 0.01 0.08 -0.30 -0.02 0.19 0.33 0.03 -0.23 0.22 -0.00 -0.09 -0.19 -0.16 -0.03 -0.23 -0.12 -0.07 0.00 -0.02 -0.03 0.01 0.01 0.02 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.01 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 -0.05 0.42 -0.09 0.08 0.05 0.30 0.42 -0.11 -0.08 0.01 0.52 0.34 -0.10 0.03 0.03 0.01 -0.02 -0.05 -0.01 0.03 0.21 0.08 0.12 0.09 0.04 0.08 0.13 -0.03 0.00 -0.00 -0.00 -0.02 -0.01 -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 -0.01 0.03 -0.00 -0.02 -0.02 -0.02 -0.01 -0.03 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.02 0.01 0.02 0.03 -0.00 -0.02 0.06 0.02 0.00 0.03 0.01 0.01 -0.00 -0.02 -0.03 -0.18 -0.10 -0.06 -0.00 0.00 -0.00 0.01 -0.00 -0.00 0.02 0.00 0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.01 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 0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.13 0.01 0.07 -0.06 -0.01 0.01 -0.10 -0.01 0.03 -0.09 -0.05 -0.00 -0.07 -0.01 0.06 0.02 0.01 0.02 0.44 0.17 0.02 0.23 0.25 -0.06 -0.04 -0.04 -0.03 0.30 0.04 -0.09 0.34 0.15 -0.23 0.12 0.06 -0.07 -0.12 0.05 0.12 0.30 0.26 0.03 0.19 0.06 -0.00 -0.03 -0.00 -0.01 0.01 -0.01 -0.00 0.02 0.02 0.03 -0.00 0.00 0.00 0.03 -0.02 -0.03 0.02 0.01 0.01 -0.03 0.00 0.01 -0.06 -0.03 -0.01 -0.00 0.00 0.00 0.02 -0.00 -0.00 -0.02 0.00 -0.00 -0.00 -0.03 -0.04 -0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.02 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.05 0.00 0.04 -0.03 -0.00 0.00 -0.02 -0.00 0.01 0.05 0.00 -0.02 -0.10 -0.03 0.02 -0.09 -0.01 0.04 -0.20 -0.11 -0.04 -0.02 -0.03 -0.05 0.08 0.03 -0.00 0.44 0.03 -0.18 0.22 0.06 -0.19 0.27 0.02 -0.23 0.42 -0.02 -0.19 -0.13 -0.12 -0.09 -0.37 -0.21 -0.15 -0.02 0.03 0.04 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 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.03 0.02 -0.04 0.02 0.01 0.01 -0.00 0.00 0.00 -0.07 -0.09 -0.03 0.59 0.21 0.01 -0.00 0.24 0.51 0.06 0.08 -0.01 -0.28 -0.16 0.07 -0.01 -0.01 -0.01 0.02 0.05 0.01 -0.03 -0.25 -0.09 -0.16 -0.12 -0.05 -0.09 -0.16 0.04 -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 -0.00 0.01 0.01 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 -0.00 0.01 -0.01 -0.00 0.01 -0.02 -0.00 0.01 -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 -0.02 -0.04 -0.05 0.01 0.03 -0.06 -0.01 0.01 -0.05 -0.03 -0.02 0.00 0.03 0.04 0.13 0.06 0.04 0.00 -0.00 0.00 -0.03 0.01 0.01 -0.02 -0.01 -0.01 0.03 0.01 -0.00 -0.01 -0.00 -0.00 0.03 0.01 0.00 -0.00 0.02 0.02 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.02 -0.01 0.00 -0.01 -0.01 0.00 0.15 -0.01 -0.07 0.16 0.06 0.03 0.17 0.00 -0.06 -0.00 -0.01 -0.02 -0.01 0.02 0.01 -0.10 -0.01 0.03 -0.17 -0.13 -0.08 0.13 0.07 0.05 -0.09 -0.04 -0.01 -0.17 0.02 0.12 0.17 -0.02 -0.09 0.24 0.11 -0.25 0.43 0.08 -0.09 0.24 0.29 0.00 0.42 0.13 -0.01 0.11 -0.00 0.01 0.03 0.01 -0.01 -0.00 -0.03 -0.05 -0.06 0.01 0.05 -0.07 -0.01 0.01 -0.06 -0.04 -0.03 -0.01 0.03 0.05 0.18 0.08 0.05 0.00 -0.00 0.00 -0.03 0.01 0.01 -0.03 -0.01 -0.01 0.04 0.01 -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 -0.02 -0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.00 0.21 -0.00 -0.09 0.22 0.09 0.05 0.23 -0.00 -0.09 -0.12 -0.03 0.00 -0.12 -0.01 0.02 0.08 0.03 -0.03 0.18 -0.03 -0.10 0.19 0.19 0.06 0.08 0.05 -0.02 0.17 0.07 0.03 0.26 -0.03 -0.22 -0.15 -0.16 0.21 -0.34 -0.09 -0.01 -0.13 -0.25 0.06 -0.34 -0.04 0.05 0.18 0.02 -0.00 -0.02 -0.01 0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 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 -0.01 -0.01 0.00 0.02 0.02 -0.01 -0.00 0.01 -0.01 -0.02 0.03 -0.04 0.28 -0.26 0.54 -0.40 -0.22 0.10 0.45 0.07 -0.08 -0.00 0.00 0.00 0.01 0.01 0.01 -0.01 0.00 0.01 0.00 -0.00 -0.02 -0.01 -0.02 -0.01 0.00 0.00 -0.00 -0.07 0.11 0.12 0.03 -0.08 0.16 -0.00 -0.00 0.00 0.06 0.07 0.14 -0.03 0.16 -0.03 0.01 -0.04 0.01 -0.03 -0.03 -0.03 -0.01 0.02 -0.04 0.02 -0.02 -0.03 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 0.01 0.00 -0.00 0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.01 -0.01 0.01 -0.11 0.11 -0.21 0.16 0.09 -0.05 -0.17 -0.03 0.03 0.00 -0.00 0.01 0.02 0.01 0.01 -0.01 0.00 0.01 0.01 -0.00 -0.05 -0.01 -0.05 -0.02 0.01 0.01 -0.00 -0.17 0.27 0.29 0.08 -0.20 0.38 -0.01 -0.00 0.01 0.14 0.20 0.38 -0.08 0.44 -0.08 0.03 -0.12 0.03 -0.07 -0.08 -0.08 -0.03 0.07 -0.11 0.08 -0.05 -0.10 0.00 -0.01 -0.02 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -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 -0.02 -0.00 -0.02 -0.01 -0.01 -0.05 -0.01 -0.04 0.08 0.08 0.01 -0.07 0.10 0.02 0.01 -0.05 0.04 0.06 0.13 -0.01 0.14 -0.04 -0.09 0.44 -0.15 0.15 0.29 0.37 0.08 -0.29 0.36 -0.19 0.24 0.38 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.04 0.03 0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.02 0.01 -0.02 -0.00 0.02 -0.00 0.01 -0.00 0.04 0.00 -0.03 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 0.02 0.07 0.01 -0.05 -0.04 0.00 -0.01 -0.01 0.16 -0.33 -0.33 -0.12 0.20 -0.43 0.00 0.01 0.02 0.11 0.20 0.41 -0.15 0.44 -0.05 -0.08 0.10 0.01 0.04 0.06 0.08 -0.07 0.04 -0.11 0.05 -0.06 -0.10 -0.01 -0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 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 -0.01 -0.01 0.00 0.05 0.05 -0.01 -0.01 -0.02 0.03 0.05 0.02 -0.02 -0.08 -0.07 0.01 -0.04 -0.01 0.01 -0.05 -0.01 0.02 0.03 0.54 0.20 0.28 -0.02 -0.52 0.47 -0.27 -0.03 0.00 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 -0.02 -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 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.02 -0.03 0.00 0.09 0.09 -0.01 -0.02 -0.01 0.06 0.07 0.05 -0.02 -0.21 -0.14 0.04 -0.03 -0.03 -0.01 -0.03 -0.08 -0.03 0.06 0.24 0.19 0.23 0.34 0.45 0.07 0.64 -0.11 0.01 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.01 0.03 0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -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 0.03 0.00 -0.01 0.02 0.01 0.01 0.02 0.00 -0.01 -0.02 -0.00 -0.01 -0.02 0.01 0.00 0.03 -0.06 -0.04 0.02 0.11 0.08 -0.01 -0.07 0.11 0.02 0.02 0.07 0.03 -0.04 -0.13 -0.01 -0.13 0.03 -0.15 0.41 -0.10 0.02 0.26 0.43 -0.14 0.23 -0.36 0.06 -0.31 -0.40 0.02 0.01 -0.00 -0.01 -0.01 0.01 -0.22 -0.04 0.03 0.22 0.05 -0.02 0.00 -0.05 -0.08 -0.22 -0.05 0.02 0.21 0.05 -0.00 0.27 0.22 0.20 -0.00 0.01 0.02 0.04 -0.00 0.01 -0.05 -0.00 -0.01 0.01 -0.05 -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.02 0.01 0.02 0.02 -0.03 0.02 0.00 -0.29 0.09 0.26 0.26 0.26 0.29 -0.28 0.16 0.33 -0.00 -0.01 -0.02 0.01 -0.01 -0.02 -0.00 0.00 0.01 0.02 -0.02 -0.04 -0.01 0.01 -0.07 0.00 0.01 0.00 -0.02 -0.02 -0.02 0.00 -0.05 -0.01 0.03 0.01 -0.02 0.00 -0.00 0.00 -0.03 -0.03 0.01 -0.00 0.01 0.01 -0.01 0.04 0.06 0.00 0.00 0.00 -0.11 -0.08 -0.07 -0.08 0.03 0.09 0.30 0.07 -0.03 -0.07 -0.07 -0.07 -0.12 0.03 0.10 0.40 0.17 0.06 -0.00 -0.00 0.00 -0.03 0.01 -0.00 -0.03 -0.00 -0.01 0.12 0.02 -0.01 -0.00 0.00 -0.00 0.01 -0.01 0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.42 0.02 -0.16 0.30 0.16 0.12 0.34 -0.04 -0.18 0.02 -0.01 0.00 0.02 -0.00 0.01 0.00 0.00 0.01 0.07 0.14 0.11 -0.05 -0.07 -0.02 0.00 -0.01 -0.01 0.09 -0.05 -0.17 -0.07 -0.02 0.08 0.04 -0.02 -0.01 -0.02 -0.03 -0.02 0.04 0.00 0.02 -0.02 0.01 0.03 -0.18 -0.01 -0.00 -0.00 0.00 -0.00 0.11 0.16 0.20 0.11 -0.10 -0.21 -0.02 0.24 0.35 -0.10 -0.15 -0.18 -0.13 0.12 0.22 0.32 0.05 -0.07 -0.00 0.01 0.02 0.10 0.00 -0.01 -0.11 -0.01 -0.01 0.01 -0.20 -0.30 0.00 -0.00 0.00 -0.01 0.02 -0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 -0.01 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 0.01 -0.01 0.00 -0.32 -0.10 -0.00 -0.26 -0.03 0.03 0.25 0.06 -0.00 -0.02 0.00 0.02 0.02 0.02 0.01 0.01 0.00 -0.01 0.02 0.01 0.01 0.05 0.05 0.03 -0.01 -0.01 -0.00 -0.03 0.01 0.01 -0.06 0.01 0.06 -0.03 -0.01 0.02 -0.01 0.00 0.00 0.02 0.03 -0.00 0.01 -0.00 0.00 0.00 -0.05 -0.07 -0.00 0.00 0.00 0.30 0.12 0.06 -0.29 -0.04 0.07 0.19 0.04 -0.02 -0.29 -0.09 -0.01 0.32 0.00 -0.12 0.19 0.17 0.16 -0.01 0.00 -0.00 0.04 -0.03 -0.00 0.03 0.01 0.03 -0.16 -0.03 0.01 0.01 -0.00 0.00 -0.01 0.01 -0.01 0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.21 -0.07 -0.20 -0.24 -0.21 -0.22 -0.29 0.13 0.28 -0.01 -0.01 -0.01 -0.01 0.00 0.02 0.00 0.00 0.00 0.04 0.08 0.05 0.03 -0.01 0.02 0.00 -0.00 -0.00 0.05 -0.02 -0.08 0.03 -0.01 -0.00 0.02 -0.00 -0.01 -0.01 -0.01 -0.00 0.02 0.01 0.01 -0.01 0.00 0.01 -0.03 0.01 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.03 0.04 -0.05 -0.14 -0.63 -0.19 -0.21 0.15 0.69 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 0.01 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.07 -0.07 0.15 0.70 0.19 -0.19 0.13 0.62 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.02 -0.03 -0.00 -0.00 -0.00 -0.01 -0.04 -0.04 0.27 0.01 -0.14 -0.28 0.38 -0.18 0.10 0.07 0.80 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -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 0.01 -0.01 0.00 -0.01 0.00 0.01 -0.05 0.03 0.05 -0.13 0.13 -0.02 0.01 0.01 -0.00 0.03 -0.03 -0.03 0.12 -0.06 0.01 0.00 0.01 0.10 0.05 0.14 -0.19 0.59 -0.42 -0.08 0.09 0.07 0.14 -0.45 0.32 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 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 0.01 -0.04 0.02 0.04 -0.11 0.12 -0.01 0.01 0.01 0.01 -0.04 0.04 0.05 -0.17 0.08 -0.01 -0.00 -0.01 0.06 0.03 0.10 -0.15 0.45 -0.31 0.10 -0.10 -0.08 -0.19 0.58 -0.43 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -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 0.04 -0.06 0.00 -0.02 0.01 -0.00 0.02 -0.00 0.21 -0.60 0.61 -0.13 0.17 0.09 -0.00 -0.00 0.00 -0.08 0.28 -0.14 0.04 0.01 0.07 -0.05 -0.03 -0.07 0.05 -0.17 0.12 0.02 -0.02 -0.01 -0.01 0.05 -0.03 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 0.02 0.00 -0.01 0.00 -0.08 0.21 -0.22 0.05 -0.06 -0.03 0.00 -0.01 0.01 -0.23 0.77 -0.37 0.11 0.03 0.18 0.02 0.01 0.03 -0.02 0.08 -0.05 0.05 -0.06 -0.05 -0.05 0.17 -0.12 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.03 -0.02 -0.06 -0.17 0.26 0.80 0.50 -0.00 -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 0.00 -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 0.01 -0.03 -0.04 -0.00 -0.00 -0.00 0.03 -0.05 0.07 0.14 -0.00 -0.05 -0.47 0.61 -0.26 -0.06 -0.06 -0.54 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.03 0.01 0.02 0.04 -0.07 -0.21 0.38 -0.00 -0.04 0.02 -0.04 -0.06 -0.19 0.47 0.73 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 0.00 -0.01 -0.03 0.04 -0.02 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -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 -0.07 0.01 0.04 0.08 -0.13 -0.41 0.77 0.00 -0.08 -0.01 0.02 0.03 0.10 -0.24 -0.37 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 -0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.04 -0.01 -0.06 0.00 -0.02 0.02 -0.02 0.02 0.02 0.03 -0.03 -0.02 -0.00 0.02 -0.01 0.01 0.00 0.01 0.46 0.26 0.65 0.04 -0.15 0.10 -0.30 0.29 0.25 -0.03 0.09 -0.06 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.03 0.00 -0.01 0.00 -0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 -0.04 0.00 -0.01 0.01 -0.01 0.01 0.01 -0.05 0.05 0.03 0.01 -0.03 0.01 -0.01 -0.00 -0.01 0.27 0.15 0.38 0.02 -0.08 0.05 0.52 -0.50 -0.44 0.04 -0.14 0.10 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.08 0.01 0.04 0.84 0.03 -0.42 0.15 -0.20 0.10 -0.03 -0.01 -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.01 -0.01 -0.00 0.00 -0.00 -0.01 0.01 0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.02 0.00 -0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.03 -0.04 -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.07 -0.02 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.05 0.15 -0.16 -0.57 0.67 0.41 -0.00 0.00 0.00 0.00 -0.01 0.00 0.01 0.00 0.02 -0.01 -0.01 -0.02 -0.01 0.03 -0.02 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -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 0.04 -0.04 -0.07 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 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 -0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.02 -0.01 -0.00 0.00 -0.00 0.05 -0.19 0.08 0.51 0.18 0.80 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.01 -0.03 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.01 -0.03 0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.04 -0.04 -0.05 0.08 -0.07 -0.14 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.03 -0.04 -0.05 -0.26 0.16 0.34 0.43 0.50 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 -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 0.04 -0.03 -0.06 0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.02 0.02 0.03 -0.06 0.05 0.10 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.08 -0.12 -0.14 -0.49 0.30 0.64 -0.22 -0.26 -0.28 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.04 -0.04 -0.07 -0.01 -0.01 -0.01 -0.45 0.40 0.75 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.03 0.04 0.05 0.01 -0.01 -0.01 0.11 0.12 0.13 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.00 0.05 0.02 0.07 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.01 -0.01 -0.01 -0.03 -0.05 -0.06 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.02 -0.02 -0.04 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.39 0.56 0.69 -0.12 0.07 0.16 -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 -0.01 -0.04 0.05 0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 6 6 6 6 6 1 5 1 1 7 6 1 1 6 1 8 6 1 1 1 1 1 1 6 6 6 1 1 6 1 1 1 1 1 1 7 8 298.150 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 6 6 6 6 6 1 5 1 1 7 6 1 1 6 1 8 6 1 1 1 1 1 1 6 6 6 1 1 6 1 1 1 1 1 1 7 8 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 11.00931 1.00783 1.00783 14.00307 12.00000 1.00783 1.00783 12.00000 1.00783 15.99491 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 12.00000 12.00000 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 1.00783 14.00307 15.99491 235.16178 1749.19278 7755.64421 8296.10705 1.0 -8.7E-4 -0.00226 0.00101 0.99814 0.06092 0.0022 -0.06093 0.99814 asymmetric 1 0.04952 0.01117 0.01044 1.03176 0.23270 0.21754 832823.9 27.27 35.48 60.92 85.40 105.57 124.45 168.28 218.79 250.97 308.58 327.38 353.66 392.29 437.40 456.93 480.33 556.14 602.22 608.54 676.56 704.00 715.96 721.86 795.46 849.31 949.37 978.53 985.74 1076.09 1118.86 1140.46 1160.96 1201.73 1224.51 1255.69 1294.05 1313.42 1397.94 1407.11 1426.48 1434.73 1459.98 1466.64 1510.22 1519.19 1583.71 1588.74 1591.73 1610.37 1646.21 1665.30 1678.58 1696.09 1702.00 1724.52 1732.42 1759.59 1775.99 1800.74 1807.56 1815.53 1854.32 1868.63 1889.54 1942.03 1947.13 1960.02 1981.91 2014.51 2029.95 2038.67 2067.70 2070.62 2092.06 2109.18 2111.64 2124.49 2129.39 2137.08 2146.98 2157.72 2179.20 2282.08 2357.92 2490.30 3492.34 3561.16 4295.68 4315.18 4319.55 4340.90 4345.21 4362.29 4408.16 4448.89 4467.31 4525.03 4527.61 4530.60 4537.87 4552.73 4664.25 4667.58 4709.91 4711.49 0.317206 0.334115 0.335060 0.269698 -752.957709 -752.940799 -752.939855 -753.005216 209.661 63.977 137.564 0.000 0.000 1.377 0.889 2.981 42.267 0.889 2.981 33.087 207.883 58.015 60.833 1 0.593 1.986 6.741 2 0.593 1.985 6.218 3 0.595 1.980 5.147 4 0.597 1.974 4.479 5 0.599 1.967 4.061 6 0.601 1.959 3.738 7 0.608 1.935 3.150 8 0.619 1.900 2.646 9 0.627 1.874 2.387 10 0.644 1.819 2.005 11 0.651 1.799 1.898 12 0.660 1.770 1.760 13 0.676 1.724 1.579 14 0.695 1.666 1.395 15 0.704 1.640 1.323 16 0.715 1.608 1.241 17 0.755 1.499 1.013 18 0.781 1.430 0.897 19 0.785 1.420 0.882 20 0.827 1.316 0.737 21 0.845 1.274 0.685 22 0.853 1.255 0.664 23 0.857 1.246 0.654 24 0.908 1.133 0.538 25 0.948 1.052 0.467 0.711064e+22 21.851909 50.315879 0.660487e+07 6.819864 15.703318 0.200000e+01 0.301030 0.693147 0.141744e+09 8.151504 18.769532 0.379761e+07 6.579511 15.149883 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 8.0629 1.8214 -0.0609 8.2663 -134.0702 -102.1553 -98.6792 -7.4306 -0.2804 9.1787 -22.4353 9.4796 12.9556 -7.4306 -0.2804 9.1787 123.3953 34.4796 -5.6451 40.4552 37.0180 -14.1575 39.9058 5.5045 -12.6711 -6.4517 -6321.1322 -1034.7963 -590.3106 -170.9931 30.5583 -92.0296 20.0837 13.4809 29.6791 -1144.1820 -995.4876 -267.1273 99.6510 25.3890 -15.5638 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 2-A -753.2749146 0.753968 0. 0.750012 2.047E-9 3.22E-6 0.3172059 0.3341153 -752.9407993 -752.9398551 -753.0052162 -17.0515373,3.5621252,13.4894121,-4.0159089,1.262472,5.2005383 C01 [X(C12H20B1N2O2)] 3.1975091 0.5827046 -0.1154415 0.6611536 0.0550946 -0.0458585 0.175951 0.1205733 0.037513 0.093625 0.0632685 0.2231992 -0.7759821 -0.0132192 0.1586949 0.0168454 -0.1714316 0.0507339 0.6082731 0.0527897 -0.1754698 2.1861947 0.269084 -0.242422 0.5448883 0.2632132 -0.079936 -0.3834979 -0.0165085 0.1681521 -0.7486587 -0.1184097 -0.0280421 -0.2371661 -0.2314607 0.0153343 -0.367028 -0.0270818 -0.0370918 0.5441455 0.0951285 -0.0495522 0.0748752 0.1108618 0.0534468 -0.2420358 0.0370202 0.3060819 0.0737753 0.0057243 0.0442257 -0.0097213 0.1179794 -0.0230345 0.0656252 -0.0238579 -0.0000792 0.8906038 0.0158004 -0.0768856 0.2204881 0.569529 0.0106831 -0.1802732 -0.0806991 0.4724456 -0.2623953 -0.014331 0.0054309 -0.1674954 -0.394467 -0.1037261 -0.0629549 -0.1667636 -0.1848152 -0.2469135 -0.0038688 0.0069273 -0.0228018 -0.1384635 0.0132774 0.1335968 0.0998162 -0.4031485 -0.7869076 -0.1166531 0.0686772 -0.2338501 -0.2514505 -0.0816921 0.1385351 -0.0900722 -0.5384642 -0.2284965 0.0357639 -0.009073 -0.2388103 -0.4454086 0.0053138 0.0534902 0.0718453 -0.0216552 0.0593199 -0.019824 0.0406974 -0.0060739 0.0165831 0.0205336 -0.0255126 -0.0007917 -0.1804263 -0.2031317 -0.0272097 0.0207178 0.096213 0.0704017 -0.0192238 0.0071695 -0.0378099 0.0669495 0.5026779 0.6234581 -0.1327954 0.4738854 0.097512 0.1044404 -0.3612356 0.1289266 0.2998912 0.055392 -0.1171764 -0.0648743 -0.0943773 0.0802666 -0.0415261 0.0844368 -0.1144518 -0.1535908 -0.9103479 -0.7056938 0.049099 -0.2464568 -0.8005947 -0.1365232 0.1516546 -0.0883842 -0.4601921 0.4030969 0.2321468 0.0937143 0.1609149 0.7976068 0.0787703 0.1790295 0.2395281 0.3760831 -0.0895121 -0.0837446 0.0587581 -0.0208979 0.0353344 -0.0143689 0.0825666 0.0000105 0.004278 -0.0254545 0.1636672 -0.0090636 0.0238141 -0.1861838 -0.0035271 -0.0475909 -0.0243231 0.0459456 0.005797 -0.0328718 -0.0278174 -0.0094582 -0.0262725 0.0982169 -0.1178687 -0.0196523 -0.1554218 0.0566145 -0.0227714 -0.042054 -0.0524928 0.1126814 -0.0374277 -0.0536926 -0.0400542 0.0225864 0.0962557 0.0036624 0.0488344 0.0096588 0.0933995 -0.0196998 0.0208352 -0.0139029 0.0524994 0.0811764 -0.0283942 -0.0512142 -0.0109144 0.0965455 -0.0157125 -0.0214016 -0.0111725 0.0645808 0.352733 0.0019181 0.2738172 0.1188594 0.2424734 -0.0351344 0.5004585 -0.0072947 0.2809377 0.258887 -0.1482488 -0.2358551 -0.1598824 0.2848621 0.0710833 -0.4939756 0.0502772 0.3494101 0.4766669 -0.0745159 -0.2615004 0.0435668 0.4811034 0.1702624 -0.1890656 0.1145569 0.6159933 -0.0729196 -0.0160363 -0.0452807 0.0495006 -0.1101229 0.0970988 -0.1576498 0.0100843 -0.0078085 0.0370925 0.0461268 0.0651858 0.0421199 0.0187992 -0.0512448 -0.005327 -0.0427572 -0.0247414 0.5259333 0.0801961 0.2760536 0.1319002 0.3819845 -0.0498351 0.1502415 0.0171963 0.655018 -0.0527319 0.0194586 0.0562232 0.1241175 -0.133422 -0.0365943 0.1167936 0.0639226 -0.0113105 0.0211028 0.001813 -0.0868816 0.0384867 0.0492327 0.0006996 -0.026394 -0.006158 -0.0391505 -0.0593744 -0.029993 -0.0644094 0.0067138 0.0687485 0.0031448 -0.0614015 -0.0311441 -0.0726851 0.0151007 0.0724571 0.0522173 0.0078938 -0.1555314 -0.0024823 0.0221947 0.0990821 -0.0196002 -0.043425 0.0089285 0.0696892 0.0334555 0.0373465 -0.0836553 0.0466003 -0.0449411 -0.0555876 0.0040765 0.023496 -0.0822864 -0.0017449 -0.1589287 0.0976283 -0.0256964 -0.0102895 -0.002473 -2.0389979 -0.1606167 0.1754633 -0.8417634 -0.4305534 0.0570565 0.365686 0.0009392 -0.4844213 -0.7625471 -0.0203456 -0.0085609 -0.0402412 -0.5127467 -0.1498931 0.0017897 -0.1511533 -0.9759189 222.1923779|14.0053629|132.2191457|-8.4533032|10.1710488|146.4652224 -0.000001470 -0.000001095 0.000000817 -0.000001420 -0.000001289 0.000005667 -0.000010939 -0.000007125 -0.000008384 0.000005430 0.000003972 -0.000001203 -0.000002688 0.000000219 -0.000002688 0.000002539 -0.000000230 0.000000246 0.000004974 0.000000928 -0.000004893 -0.000000203 -0.000001641 -0.000002327 -0.000001571 -0.000001544 -0.000002611 0.000002032 0.000001301 0.000001310 -0.000001875 -0.000002772 -0.000003116 0.000000213 0.000000378 -0.000001893 0.000000144 -0.000001366 -0.000002032 0.000001905 0.000001211 -0.000002028 -0.000001528 -0.000001958 -0.000000906 -0.000000392 -0.000002979 0.000000744 -0.000000710 0.000000324 0.000000149 -0.000000682 -0.000000158 0.000000565 -0.000001049 -0.000000994 0.000000491 -0.000001157 -0.000000805 0.000000129 0.000000006 -0.000000359 -0.000002732 -0.000001044 -0.000000904 -0.000001914 -0.000000250 -0.000000208 -0.000000215 0.000006685 0.000002080 0.000007111 -0.000009198 -0.000002902 0.000003493 0.000002330 -0.000002259 -0.000002513 -0.000002638 -0.000000020 -0.000000044 -0.000003872 0.000001328 0.000000157 0.000005338 0.000002631 0.000003555 0.000004673 0.000000272 -0.000000300 -0.000001444 0.000002566 0.000002206 0.000000503 0.000000726 0.000002626 -0.000001880 0.000000757 0.000004447 0.000000612 0.000002686 0.000001339 0.000002027 0.000002297 -0.000000013 0.000013057 0.000004516 -0.000000892 -0.000006457 0.000002415 0.000005653 214.95159999999993 AuxInfo=1/0/N:17,2,4,11,1,5,24,25,14,26,29,3,7,36,10,16,37/E:(2,3)(5,6)(7,8)(10,11)/CRV:2.3,3.3,5.3,6.3,9.3,12.3,13.4/rA:37nC3C3C3C3C3HB4HHNCHHC3HOCHHHHHHCCCHHCHHHHHHNO/rB:s1;s2;s3;s4;s4;;s7;s7;s1s5s7;s7;s11;s11;s11;s14;s14;s16;s17;s17;s17;s2;s1;s5;;;s24;s24;s24;s25;s25;s25;s26;s26;s29;s29;s3s24s25;s26s29;/rC:-.4038,-.9482,1.1623;.9416,-.6667,1.0415;1.59,-.809,-.2069;.781,-1.3121,-1.2543;-.5559,-1.5649,-1.0389;1.1747,-1.5008,-2.2496;-2.7545,-1.4879,.2774;-3.0976,-2.4762,-.3679;-2.9808,-1.6061,1.4804;-1.1552,-1.3842,.145;-3.3708,-.0892,-.343;-3.2705,-.0725,-1.4441;-4.4522,-.0874,-.125;-2.7574,1.1448,.2026;-2.8708,1.401,1.2689;-1.5411,1.4713,-.3392;-.8702,2.5279,.2743;.0715,2.6911,-.2682;-1.4637,3.4601,.2503;-.6313,2.2988,1.3322;1.4669,-.3325,1.9325;-.9292,-.8234,2.1101;-1.2013,-1.9285,-1.8401;3.7659,-.2333,.7615;3.6163,-.9387,-1.582;5.0171,.5389,.367;4.0503,-1.1886,1.2442;3.2281,.3707,1.5026;4.8762,-.1205,-1.8271;3.8778,-2.0105,-1.4862;2.9753,-.8267,-2.4645;5.7052,.5835,1.2221;4.736,1.5766,.0948;5.4575,-.577,-2.6397;4.5921,.9051,-2.1388;2.91,-.4824,-.3912;5.6951,-.0715,-.6935; Gaussian 16 24-Jul-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 105 C1[X(C12H20BN2O2)] UwB97XD def2TZVPP SP #p wB97xD/Def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 214.95159999999993 AuxInfo=1/0/N:17,2,4,11,1,5,24,25,14,26,29,3,7,36,10,16,37/E:(2,3)(5,6)(7,8)(10,11)/CRV:2.3,3.3,5.3,6.3,9.3,12.3,13.4/rA:37nC3C3C3C3C3HB4HHNCHHC3HOCHHHHHHCCCHHCHHHHHHNO/rB:s1;s2;s3;s4;s4;;s7;s7;s1s5s7;s7;s11;s11;s11;s14;s14;s16;s17;s17;s17;s2;s1;s5;;;s24;s24;s24;s25;s25;s25;s26;s26;s29;s29;s3s24s25;s26s29;/rC:-.4038,-.9482,1.1623;.9416,-.6667,1.0415;1.59,-.809,-.2069;.781,-1.3121,-1.2543;-.5559,-1.5649,-1.0389;1.1747,-1.5008,-2.2496;-2.7545,-1.4879,.2774;-3.0976,-2.4762,-.3679;-2.9808,-1.6061,1.4804;-1.1552,-1.3842,.145;-3.3708,-.0892,-.343;-3.2705,-.0725,-1.4441;-4.4522,-.0874,-.125;-2.7574,1.1448,.2026;-2.8708,1.401,1.2689;-1.5411,1.4713,-.3392;-.8702,2.5279,.2743;.0715,2.6911,-.2682;-1.4637,3.4601,.2504;-.6313,2.2988,1.3322;1.4669,-.3325,1.9325;-.9292,-.8234,2.1101;-1.2013,-1.9285,-1.8401;3.7659,-.2333,.7615;3.6163,-.9387,-1.582;5.0171,.5389,.367;4.0503,-1.1886,1.2442;3.2281,.3707,1.5026;4.8762,-.1205,-1.8271;3.8778,-2.0105,-1.4862;2.9753,-.8267,-2.4645;5.7052,.5835,1.2221;4.736,1.5766,.0948;5.4575,-.577,-2.6397;4.5921,.9051,-2.1388;2.91,-.4824,-.3912;5.6951,-.0715,-.6935; chk=50_OMe_p.chk Mem=12000MB NProc=12 #p wB97xD/Def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,24=110,25=1,30=1,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments 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 12 12 12 12 12 1 11 1 1 14 12 1 1 12 1 16 12 1 1 1 1 1 1 12 12 12 1 1 12 1 1 1 1 1 1 14 16 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 11.0093053 1.0078250 1.0078250 14.0030740 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 15.9949146 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 14.0030740 15.9949146 0 0 0 0 0 1 3 1 1 2 0 1 1 0 1 0 0 1 1 1 1 1 1 0 0 0 1 1 0 1 1 1 1 1 1 2 0 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 2.7500000 1.0000000 1.0000000 4.5500000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 5.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 4.5500000 5.6000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "50_OMe_p.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 912 A 807 A 807 1207 912 64 63 1237.0274997682 37 37 37 1.00e+00 60 F IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 5 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi=121 Grimme-D2 -0.0286709925 0.000000 1.379878 0.000000 2.422707 1.413930 0.000000 2.715919 2.390201 1.415852 0.000000 2.291047 2.716180 2.422542 1.377561 0.000000 3.799817 3.403218 2.196360 1.086900 2.113047 0.000000 2.569097 3.862629 4.423864 3.857067 2.563686 4.671703 0.000000 3.454381 4.644998 4.977862 4.145395 2.782220 4.769124 1.229164 0.000000 2.678564 4.057132 4.937048 4.660032 3.496928 5.584987 1.229804 2.046190 0.000000 1.337783 2.390652 2.826789 2.389953 1.339144 3.343047 1.608183 2.286579 2.272761 0.000000 3.436174 4.565962 5.014660 4.423083 3.253588 5.127350 1.649586 2.402740 2.403803 2.612361 0.000000 3.972165 4.926804 5.069296 4.241149 3.124186 4.738025 2.287580 2.639311 3.314909 2.953014 1.105717 0.000000 4.334486 5.548872 6.085713 5.491954 4.266070 6.178488 2.237285 2.756895 2.655035 3.553180 1.103121 1.771013 0.000000 3.292547 4.203323 4.783791 4.547375 3.705412 5.336073 2.633716 3.681386 3.041417 2.994339 1.482117 2.111021 2.120842 0.000000 3.408233 4.343008 5.192396 5.202211 4.413773 6.096467 3.056510 4.214645 3.016553 3.458898 2.251465 3.113072 2.580545 1.102557 0.000000 3.066232 3.555470 3.875706 3.738522 3.267800 4.456312 3.257140 4.243310 3.854058 2.921807 2.404740 2.567978 3.309004 1.370893 2.087833 0.000000 3.617918 3.751912 4.173608 4.450656 4.309797 5.175176 4.435899 5.514944 4.795767 3.924593 3.671975 3.933971 4.453076 2.340857 2.502328 1.393928 0.000000 3.939114 3.707724 3.815750 4.183366 4.370434 4.765995 5.074208 6.062453 5.553364 4.275872 4.425480 4.493151 5.310738 3.258085 3.561506 2.023236 1.098985 0.000000 4.624707 4.841685 5.268696 5.484150 5.266561 6.149921 5.113627 6.187974 5.429636 4.855228 4.072641 4.314431 4.653641 2.652632 2.693934 2.075802 1.105340 1.793648 0.000000 3.259332 3.369360 4.118378 4.660714 4.533803 5.525181 4.467550 5.636715 4.559590 3.904852 4.001657 4.505011 4.734546 2.669751 2.413536 2.075048 1.108414 1.791412 1.792149 0.000000 2.114652 1.086930 2.195273 3.403767 3.799977 4.352099 4.679172 5.542706 4.648444 3.343131 5.351714 5.823371 6.271291 4.797840 4.718130 4.178788 4.048881 3.991536 5.079529 3.418540 0.000000 1.090756 2.160147 3.422685 3.805553 3.256535 4.887946 2.670593 3.684265 2.284306 2.055989 3.538155 4.321753 4.236643 3.294638 3.070097 3.411589 3.821646 4.359979 4.700298 3.231403 2.452269 0.000000 3.257580 3.806357 3.422327 2.157026 1.091196 2.448653 2.662827 2.462376 3.781064 2.058896 3.214276 2.807773 4.110957 4.004923 4.851746 3.731886 4.943723 5.042960 5.785862 5.315845 4.888693 4.110871 0.000000 4.249454 2.870968 2.450198 3.759856 4.867483 4.169876 6.657612 7.308413 6.922303 5.091284 7.223099 7.375683 8.267023 6.690581 6.853718 5.681642 5.417972 4.822911 6.422650 5.106080 2.581927 4.920378 5.857898 0.000000 4.867495 3.756405 2.452232 2.878456 4.253727 2.592883 6.659282 6.993832 7.303739 5.093868 7.146771 6.942399 8.243038 6.938931 7.462168 5.826756 5.965850 5.240828 6.965099 6.084021 4.164032 5.857100 4.924964 2.451952 0.000000 5.677160 4.303228 3.727042 4.898863 6.120519 5.076528 8.032049 8.687838 8.355020 6.468713 8.441309 8.505146 9.502710 7.799747 7.985941 6.661676 6.214864 5.430833 7.109655 5.994421 3.976707 6.344468 7.044694 1.522344 2.818523 0.000000 4.461320 3.158654 2.881412 4.116504 5.154701 4.535766 6.879648 7.439644 7.047374 5.323823 7.668177 7.878209 8.682141 7.271431 7.389723 6.391075 6.242139 5.759355 7.280260 5.838414 2.807259 5.067345 6.135083 1.107505 2.870217 2.165339 0.000000 3.878871 2.552722 2.645153 4.052116 4.952147 4.668787 6.383304 7.184484 6.515955 4.912760 6.867533 7.149127 7.864169 6.173689 6.189683 5.229565 4.791433 4.299274 5.755432 4.317573 1.944503 4.367791 6.006569 1.096847 3.373343 2.125647 1.781640 0.000000 6.123713 4.899788 3.727970 4.303253 5.675799 3.972961 8.032795 8.441483 8.653191 6.470139 8.379508 8.155779 9.482414 7.999450 8.480317 6.777100 6.667127 5.780979 7.571675 6.794576 5.079666 7.049629 6.340674 2.818978 1.522081 2.295406 3.354988 3.747554 0.000000 5.145435 4.100776 2.883444 3.183040 4.478445 2.854718 6.882681 7.079791 7.483598 5.327645 7.585589 7.406484 8.656802 7.538785 8.048151 6.542404 6.799993 6.170570 7.840563 6.844343 4.507318 6.119580 5.092065 2.867631 1.107414 3.351379 2.856607 3.876168 2.164453 0.000000 4.958568 4.056359 2.648845 2.552482 3.879013 1.934614 6.386405 6.632974 7.186424 4.917420 6.731871 6.373390 7.822247 6.622972 7.285494 5.495076 5.791595 5.062655 6.741805 6.098462 4.674809 6.014310 4.364360 3.374137 1.096499 3.748534 3.878319 4.151563 2.125621 1.781302 0.000000 6.298379 4.928190 4.573354 5.828646 6.994935 6.076407 8.760706 9.454018 8.961414 7.217792 9.234529 9.386256 10.268279 8.542220 8.615003 7.465591 6.922060 6.196913 7.785393 6.565515 4.393977 6.839794 7.961593 2.154129 3.813599 1.098517 2.424797 2.502028 3.237411 4.171680 4.799224 0.000000 5.825098 4.508414 3.959682 5.079983 6.257680 5.258303 8.095203 8.831987 8.461556 6.593524 8.287781 8.318145 9.340245 7.506579 7.698888 6.293002 5.689175 4.809530 6.481372 5.555258 4.208192 6.474222 7.161093 2.158995 3.223660 1.108952 3.072079 2.389510 2.567819 4.012872 3.927641 1.787837 0.000000 6.996288 5.826883 4.574896 4.932430 6.300721 4.398585 8.762189 9.052984 9.446594 7.220309 9.135180 8.823902 10.235463 8.861530 9.410111 7.646445 7.627018 6.731484 8.517819 7.817892 6.073730 7.963068 6.841392 3.814241 2.153969 3.237250 4.176035 4.798640 1.098487 2.425028 2.500832 4.040072 3.554773 0.000000 6.268280 5.090285 3.960150 4.496936 5.814857 4.180814 8.095508 8.584879 8.760887 6.594503 8.223250 7.953539 9.318786 7.717155 8.219113 6.416844 6.188183 5.208149 6.993510 6.424516 5.279617 7.178106 6.456148 3.223426 2.159075 2.567810 4.015196 3.925000 1.108878 3.071882 2.391493 3.555021 2.336832 1.787816 0.000000 3.689473 2.441615 1.372251 2.442508 3.688358 2.738997 5.791835 6.329856 6.282305 4.198407 6.293355 6.282946 7.377631 5.926201 6.302502 4.861313 4.878021 4.259498 5.923212 4.821443 2.739553 4.594829 4.592759 1.457197 1.457665 2.461237 2.115088 2.101279 2.461352 2.114356 2.102701 3.398824 2.794612 3.399117 2.794341 0.000000 6.434978 5.095065 4.199033 5.099122 6.436137 4.989773 8.622302 9.121328 9.074729 7.025070 9.072670 8.996896 10.163169 8.586366 8.910293 7.407285 7.127134 6.279886 8.038080 7.052993 4.984152 7.232284 7.233426 2.421822 2.421276 1.398936 2.776346 3.332322 1.399285 2.773129 3.332244 2.024570 2.063366 2.024774 2.063707 2.831339 0.000000 C12H20BN2O2(2) 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 0 214.95159999999993 AuxInfo=1/0/N:17,2,4,11,1,5,24,25,14,26,29,3,7,36,10,16,37/E:(2,3)(5,6)(7,8)(10,11)/CRV:2.3,3.3,5.3,6.3,9.3,12.3,13.4/rA:37nC3C3C3C3C3HB4HHNCHHC3HOCHHHHHHCCCHHCHHHHHHNO/rB:s1;s2;s3;s4;s4;;s7;s7;s1s5s7;s7;s11;s11;s11;s14;s14;s16;s17;s17;s17;s2;s1;s5;;;s24;s24;s24;s25;s25;s25;s26;s26;s29;s29;s3s24s25;s26s29;/rC:-1.4825,-.383,1.4136;-.1417,-.0693,1.3238;.6314,-.5492,.2416;-.0529,-1.4003,-.6595;-1.3955,-1.6571,-.4885;.4434,-1.8621,-1.5091;-3.7149,-1.3147,.5486;-3.9595,-2.4733,.2188;-4.0551,-1.0698,1.7047;-2.1146,-1.1576,.5247;-4.3127,-.217,-.5279;-4.1045,-.5347,-1.5663;-5.4098,-.2154,-.4127;-3.7974,1.1608,-.3467;-4.0243,1.726,.5724;-2.545,1.3792,-.8596;-1.9734,2.6133,-.5538;-.9886,2.6593,-1.0394;-2.5922,3.4537,-.918;-1.833,2.7371,.5386;.2814,.5556,2.1061;-2.1029,-.0048,2.2271;-1.946,-2.2897,-1.1867;2.6805,.4316,1.1597;2.7869,-.9705,-.849;3.9383,1.1207,.6494;2.9472,-.3085,1.9392;2.0523,1.2,1.6266;4.0371,-.1911,-1.2316;3.073,-1.9419,-.401;2.2331,-1.1765,-1.7727;4.5366,1.4697,1.5021;3.6514,2.0041,.0436;4.7108,-.839,-1.8088;3.7516,.6684,-1.8713;1.9516,-.2139,.0755;4.7378,.2562,-.106; 1.0317566 0.2327004 0.2175407 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 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= 902 902 902 902 902 MxSgAt= 37 MxSgA2= 37. 1 open 1 1 1 -753.707296874530 -753.897856133845 -0.190559259315 -754.095112997804 -0.197256863959 -754.095412232642 -0.000299234838 -754.095469992268 -0.000057759627 -754.095482042734 -0.000012050466 -754.095482795588 -0.000000752854 -754.095482920946 -0.000000125359 -754.095482959274 -0.000000038328 -754.095482966693 -0.000000007418 -754.095482967684 -0.000000000991 -754.095482967854 -0.000000000170 -754.095482967907 -0.000000000054 -754.095482967911 -0.000000000003 -754.095482968 14 0.7544 7.500148456756e+02 -4.228403054092e+03 1.487293896673e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1571180818 LenY= 1570348162 Requested convergence on RMS density matrix=1.00D-08 within 32 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. 0.7544 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 C C C C C H B H H N C H H C H O C H H H H H H C C C H H C H H H H H H N O 13 13 13 13 13 1 11 1 1 14 13 1 1 13 1 17 13 1 1 1 1 1 1 13 13 13 1 1 13 1 1 1 1 1 1 14 17 0.00161 -0.00001 0.00025 -0.00031 0.00035 0.00002 0.04015 0.00199 -0.00059 -0.00433 -0.02242 0.00521 0.00654 0.14840 -0.00485 0.02614 -0.00181 -0.00045 0.00161 0.00156 0.00002 -0.00008 -0.00008 -0.00001 0.00000 0.00001 0.00003 0.00001 0.00001 0.00005 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00059 -0.00000 1.81414 -0.00599 0.28664 -0.34352 0.39288 0.09130 57.58667 8.90079 -2.65110 -1.39882 -25.20648 23.27314 29.21825 166.82589 -21.69663 -15.84695 -2.03298 -2.01669 7.17602 6.99461 0.07561 -0.34849 -0.34126 -0.01259 0.00547 0.00842 0.12383 0.04169 0.01564 0.24482 0.05321 -0.00239 -0.00088 -0.00494 -0.00305 0.18943 0.00165 0.64733 -0.00214 0.10228 -0.12258 0.14019 0.03258 20.54836 3.17602 -0.94598 -0.49913 -8.99430 8.30444 10.42580 59.52763 -7.74190 -5.65459 -0.72542 -0.71960 2.56058 2.49585 0.02698 -0.12435 -0.12177 -0.00449 0.00195 0.00300 0.04418 0.01487 0.00558 0.08736 0.01899 -0.00085 -0.00031 -0.00176 -0.00109 0.06759 0.00059 0.60513 -0.00200 0.09561 -0.11458 0.13105 0.03045 19.20885 2.96899 -0.88431 -0.46660 -8.40798 7.76309 9.74616 55.64713 -7.23722 -5.28597 -0.67813 -0.67269 2.39366 2.33315 0.02522 -0.11624 -0.11383 -0.00420 0.00182 0.00281 0.04130 0.01391 0.00522 0.08166 0.01775 -0.00080 -0.00029 -0.00165 -0.00102 0.06319 0.00055 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 -0.004559 0.002870 -0.000091 0.002434 -0.001408 0.000908 -0.015586 -0.004040 -0.006253 0.002325 -0.022851 -0.008057 0.006117 -0.104881 -0.039015 -0.014149 0.005840 0.005645 -0.001309 0.002572 0.001439 -0.000880 -0.000464 0.000872 0.000753 0.000631 0.000606 0.001004 0.000577 0.000513 0.000707 0.000444 0.000695 0.000387 0.000620 -0.000809 0.000497 0.002459 -0.001839 0.001756 -0.000842 0.005116 -0.000010 0.015620 0.007471 -0.000043 -0.000042 0.039740 0.009359 0.002667 -0.071860 -0.005879 -0.113698 0.001815 -0.000742 0.008970 0.000779 -0.001258 -0.001647 0.002143 -0.000490 -0.000316 -0.000315 -0.000368 -0.000614 -0.000287 -0.000152 -0.000306 -0.000237 -0.000327 -0.000187 -0.000334 0.001596 -0.000241 0.002100 -0.001031 -0.001664 -0.001592 -0.003708 -0.000898 -0.000034 -0.003431 0.006296 -0.002284 -0.016890 -0.001302 -0.008785 0.176742 0.044894 0.127847 -0.007656 -0.004904 -0.007661 -0.003352 -0.000180 0.002527 -0.001679 -0.000381 -0.000437 -0.000316 -0.000238 -0.000390 -0.000290 -0.000361 -0.000401 -0.000207 -0.000368 -0.000200 -0.000286 -0.000787 -0.000255 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 -0.003247 -0.000213 -0.002814 -0.001841 -0.004400 -0.001201 -0.019790 0.000850 0.000629 -0.001190 -0.013600 0.001058 0.013907 -0.418302 -0.034710 -0.246651 0.012018 0.006601 0.008956 0.007416 -0.000349 -0.003017 -0.002263 -0.000105 -0.000455 0.000016 -0.000203 0.000039 -0.000152 -0.000424 -0.000514 0.000037 0.000146 -0.000146 -0.000059 -0.001605 -0.000060 0.003162 0.001111 0.001388 -0.000267 0.000386 -0.000472 0.015583 0.001393 -0.000763 -0.000426 0.010711 0.000610 -0.001468 0.528069 -0.001929 0.400285 0.003048 -0.001276 -0.001639 0.004698 0.001589 0.003754 -0.000668 0.000382 -0.000172 0.000147 0.000388 0.000627 -0.000113 -0.000029 -0.000319 0.000168 0.000072 -0.000113 -0.000211 0.000931 0.000014 -0.012162 0.000283 -0.003530 0.001460 -0.003074 0.000345 -0.031520 -0.000630 -0.005927 0.004514 -0.026382 0.011992 -0.001096 -0.533203 0.030981 -0.301568 0.003315 -0.001630 -0.001881 0.004450 -0.000259 -0.002542 0.001165 0.000038 0.000114 0.000004 -0.000071 0.000043 0.000014 0.000014 0.000152 0.000009 0.000005 0.000023 -0.000000 -0.003273 -0.000014 0.0059 0.7026 0.7115 0.9753 0.153 -0.1592 -0.2207 0.6949 -0.6844 -0.0099 -0.0056 0.0155 -1.326 -0.749 2.076 -0.473 -0.267 0.741 -0.442 -0.25 0.692 1 C 13 0.1341 0.8996 -0.4157 -0.2174 0.436 0.8733 0.9668 -0.0267 0.254 -0.002 -0.0012 0.0032 -0.269 -0.156 0.425 -0.096 -0.056 0.152 -0.09 -0.052 0.142 2 C 13 0.1219 0.5674 0.8144 0.8702 0.3335 -0.3627 -0.4774 0.7529 -0.4531 -0.0039 -0.0017 0.0057 -0.525 -0.235 0.76 -0.187 -0.084 0.271 -0.175 -0.078 0.254 3 C 13 -0.1977 -0.6767 0.7093 0.432 0.5894 0.6827 0.8799 -0.4414 -0.1758 -0.0029 -5.0E-4 0.0034 -0.391 -0.067 0.458 -0.139 -0.024 0.163 -0.13 -0.022 0.153 4 C 13 0.4158 0.421 0.8061 0.8082 0.2353 -0.5398 -0.4169 0.876 -0.2424 -0.0051 -0.0029 0.0081 -0.686 -0.395 1.082 -0.245 -0.141 0.386 -0.229 -0.132 0.361 5 C 13 0.1208 -0.189 0.9745 0.5808 0.8096 0.085 0.805 -0.5558 -0.2076 -0.001 -8.0E-4 0.0019 -0.546 -0.445 0.991 -0.195 -0.159 0.354 -0.182 -0.149 0.331 6 H 1 0.9254 0.1995 -0.3221 0.122 0.648 0.7518 -0.3588 0.735 -0.5753 -0.0253 -0.0247 0.05 -4.328 -4.225 8.552 -1.544 -1.507 3.052 -1.444 -1.409 2.853 7 B 11 0.777 -0.0828 -0.624 0.6259 -0.0041 0.7799 0.0672 0.9966 -0.0486 -0.0052 -0.0023 0.0076 -2.801 -1.232 4.033 -0.999 -0.44 1.439 -0.934 -0.411 1.345 8 H 1 0.9967 -0.0771 0.024 0.0537 0.8545 0.5166 -0.0604 -0.5137 0.8559 -0.0063 -0.0036 0.0099 -3.372 -1.914 5.286 -1.203 -0.683 1.886 -1.125 -0.638 1.763 9 H 1 -0.0496 -0.6203 0.7828 0.8446 0.3922 0.3643 -0.533 0.6793 0.5044 -0.0058 0.0016 0.0042 -0.225 0.061 0.164 -0.08 0.022 0.058 -0.075 0.02 0.055 10 N 14 -0.6623 0.1452 0.735 0.7185 0.4012 0.5682 -0.2124 0.9044 -0.3701 -0.0318 -0.022 0.0537 -4.261 -2.949 7.21 -1.52 -1.052 2.573 -1.421 -0.984 2.405 11 C 13 0.0654 -0.5463 0.835 0.9967 -0.0047 -0.0811 0.0482 0.8376 0.5442 -0.0091 -0.0081 0.0172 -4.855 -4.328 9.183 -1.732 -1.544 3.277 -1.619 -1.444 3.063 12 H 1 -0.6587 0.7259 -0.1979 -0.0823 0.192 0.9779 0.7479 0.6604 -0.0667 -0.0097 -0.0089 0.0185 -5.15 -4.736 9.886 -1.838 -1.69 3.528 -1.718 -1.58 3.298 13 H 1 0.855 0.2975 -0.4248 0.0265 0.793 0.6086 0.5179 -0.5316 0.6702 -0.5128 -0.495 1.0078 -68.809 -66.43 135.239 -24.553 -23.704 48.256 -22.952 -22.159 45.111 14 C 13 0.8079 0.5702 -0.1491 -0.5611 0.6669 -0.4903 -0.1802 0.4798 0.8587 -0.0632 5.0E-4 0.0626 -33.698 0.293 33.404 -12.024 0.105 11.92 -11.24 0.098 11.143 15 H 1 0.7334 -0.0937 -0.6733 0.3672 0.8881 0.2763 0.5721 -0.4499 0.6858 -0.3501 -0.3095 0.6596 25.335 22.395 -47.73 9.04 7.991 -17.031 8.451 7.47 -15.921 16 O 17 0.3331 -0.5958 0.7308 -0.5737 0.487 0.6586 0.7483 0.6386 0.1796 -0.009 -0.0079 0.0168 -1.204 -1.055 2.258 -0.429 -0.376 0.806 -0.401 -0.352 0.753 17 C 13 -0.2556 0.5889 0.7667 0.4841 -0.6085 0.6288 0.8368 0.5319 -0.1295 -0.0057 -0.0043 0.01 -3.057 -2.299 5.356 -1.091 -0.82 1.911 -1.02 -0.767 1.787 18 H 1 0.3009 -0.053 0.9522 0.8119 -0.5095 -0.285 0.5002 0.8588 -0.1103 -0.0081 -0.0064 0.0144 -4.308 -3.39 7.698 -1.537 -1.21 2.747 -1.437 -1.131 2.568 19 H 1 0.0329 -0.5624 0.8262 0.7271 -0.5537 -0.4058 0.6857 0.6141 0.3907 -0.0062 -0.0057 0.0119 -3.304 -3.04 6.344 -1.179 -1.085 2.264 -1.102 -1.014 2.116 20 H 1 -0.0234 0.9672 0.253 -0.5323 -0.2262 0.8158 0.8462 -0.1156 0.5201 -0.0013 -0.0011 0.0025 -0.703 -0.611 1.314 -0.251 -0.218 0.469 -0.235 -0.204 0.438 21 H 1 0.7333 0.6622 -0.1544 -0.4232 0.6222 0.6586 0.5322 -0.4176 0.7365 -0.0044 -0.0023 0.0067 -2.345 -1.22 3.565 -0.837 -0.435 1.272 -0.782 -0.407 1.189 22 H 1 0.1017 -0.217 0.9709 0.8682 0.4959 0.0199 -0.4858 0.8408 0.2388 -0.002 -0.0018 0.0038 -1.072 -0.946 2.018 -0.383 -0.337 0.72 -0.358 -0.315 0.673 23 H 1 0.2273 0.7249 -0.6503 -0.154 0.6862 0.711 0.9616 -0.0615 0.2675 -6.0E-4 -4.0E-4 0.001 -0.075 -0.057 0.132 -0.027 -0.02 0.047 -0.025 -0.019 0.044 24 C 13 0.184 0.7538 -0.6308 0.3266 0.5584 0.7626 0.9271 -0.3463 -0.1435 -5.0E-4 -4.0E-4 9.0E-4 -0.07 -0.057 0.127 -0.025 -0.02 0.045 -0.023 -0.019 0.043 25 C 13 -0.1491 -0.0509 0.9875 -0.0248 0.9986 0.0477 0.9885 0.0174 0.1501 -3.0E-4 -3.0E-4 7.0E-4 -0.045 -0.042 0.088 -0.016 -0.015 0.031 -0.015 -0.014 0.029 26 C 13 0.2842 0.9223 -0.262 -0.281 0.3414 0.8969 0.9167 -0.1813 0.3562 -4.0E-4 -4.0E-4 8.0E-4 -0.219 -0.206 0.425 -0.078 -0.074 0.152 -0.073 -0.069 0.142 27 H 1 -0.2704 -0.6027 0.7507 -0.2369 0.7974 0.5549 0.9332 0.0278 0.3584 -7.0E-4 -6.0E-4 0.0012 -0.347 -0.318 0.665 -0.124 -0.113 0.237 -0.116 -0.106 0.222 28 H 1 0.2034 0.8947 0.3977 0.0454 -0.4144 0.909 0.978 -0.1668 -0.1248 -3.0E-4 -3.0E-4 6.0E-4 -0.042 -0.041 0.083 -0.015 -0.014 0.03 -0.014 -0.014 0.028 29 C 13 0.0669 0.0703 0.9953 0.4331 0.8966 -0.0924 0.8988 -0.4373 -0.0296 -4.0E-4 -4.0E-4 7.0E-4 -0.193 -0.191 0.385 -0.069 -0.068 0.137 -0.065 -0.064 0.128 30 H 1 0.2672 0.8823 -0.3874 0.3602 0.2814 0.8894 0.8938 -0.3772 -0.2427 -5.0E-4 -5.0E-4 0.001 -0.282 -0.257 0.539 -0.101 -0.092 0.192 -0.094 -0.086 0.18 31 H 1 -0.2373 0.0354 0.9708 -0.0427 0.998 -0.0469 0.9705 0.0526 0.2353 -2.0E-4 -2.0E-4 5.0E-4 -0.132 -0.128 0.26 -0.047 -0.046 0.093 -0.044 -0.043 0.087 32 H 1 -0.0906 0.1838 0.9788 -0.1227 0.9733 -0.1941 0.9883 0.1377 0.0656 -4.0E-4 -3.0E-4 7.0E-4 -0.199 -0.185 0.384 -0.071 -0.066 0.137 -0.067 -0.062 0.128 33 H 1 0.2883 0.7385 0.6095 -0.0081 -0.6346 0.7728 0.9575 -0.2277 -0.177 -2.0E-4 -2.0E-4 4.0E-4 -0.12 -0.116 0.236 -0.043 -0.041 0.084 -0.04 -0.039 0.079 34 H 1 0.1818 0.7639 0.6192 0.1286 -0.6428 0.7552 0.9749 -0.0577 -0.2151 -3.0E-4 -3.0E-4 7.0E-4 -0.186 -0.172 0.357 -0.066 -0.061 0.128 -0.062 -0.057 0.119 35 H 1 0.0879 0.5902 0.8024 0.9408 0.2156 -0.2617 -0.3274 0.7779 -0.5363 -0.0031 -0.0014 0.0045 -0.119 -0.055 0.175 -0.043 -0.02 0.062 -0.04 -0.018 0.058 36 N 14 PT8136.700S 2024-07-24T05:52:18.000 -19.28230 -19.25867 -14.49362 -14.48345 -10.37690 -10.35969 -10.35943 -10.34868 -10.34848 -10.34825 -10.34747 -10.32283 -10.31423 -10.31394 -10.29617 -10.22298 -6.77164 -1.18233 -1.14870 -1.09605 -1.07978 -0.92996 -0.91173 -0.88839 -0.83896 -0.83161 -0.79788 -0.75724 -0.74878 -0.74455 -0.69130 -0.67461 -0.66098 -0.62845 -0.62337 -0.60154 -0.59755 -0.57623 -0.57148 -0.56620 -0.56355 -0.56021 -0.55189 -0.54326 -0.53016 -0.51807 -0.50373 -0.50212 -0.49503 -0.47131 -0.45275 -0.45121 -0.44387 -0.43668 -0.42503 -0.41353 -0.39837 -0.39295 -0.37431 -0.36644 -0.35233 -0.33474 -0.31325 -0.20515 0.01991 0.02965 0.08482 0.10945 0.11205 0.11946 0.12665 0.13842 0.14169 0.15141 0.15442 0.15806 0.16171 0.16459 0.17006 0.17610 0.18215 0.18667 0.19091 0.19392 0.19626 0.20384 0.21063 0.21383 0.21496 0.22435 0.22970 0.23441 0.23761 0.24201 0.25171 0.25917 0.26233 0.26922 0.27669 0.28725 0.29060 0.29470 0.29815 0.30934 0.31197 0.32430 0.32528 0.33112 0.33815 0.34612 0.35282 0.36019 0.36258 0.36836 0.36930 0.37325 0.38184 0.38505 0.38886 0.39599 0.40343 0.40998 0.41193 0.41855 0.42225 0.42579 0.42604 0.44132 0.44530 0.44886 0.45293 0.45638 0.46000 0.46472 0.46612 0.46851 0.47241 0.47473 0.48035 0.48429 0.48864 0.49113 0.49993 0.50852 0.51364 0.51461 0.52289 0.52718 0.53212 0.53384 0.54366 0.54890 0.54904 0.55329 0.55636 0.56173 0.56864 0.57397 0.58156 0.58802 0.59699 0.60398 0.60918 0.61634 0.62555 0.63251 0.64032 0.64591 0.65681 0.66126 0.66785 0.67767 0.68110 0.68791 0.69506 0.70364 0.70807 0.71971 0.72222 0.73135 0.73566 0.74319 0.74894 0.75811 0.76581 0.77242 0.77407 0.78139 0.78959 0.79824 0.80568 0.81416 0.82267 0.82533 0.83417 0.83579 0.85092 0.85417 0.85678 0.87344 0.88707 0.89153 0.89820 0.90199 0.91001 0.91369 0.91789 0.92535 0.93301 0.94437 0.95488 0.96259 0.96437 0.97078 0.97517 0.98411 0.98943 0.99490 1.00259 1.00804 1.01846 1.02645 1.03933 1.04598 1.05405 1.06007 1.06685 1.07190 1.07688 1.08625 1.08889 1.10077 1.10648 1.11381 1.11567 1.12227 1.12887 1.13880 1.14812 1.15043 1.15520 1.16273 1.17092 1.17593 1.18648 1.19194 1.19487 1.20440 1.20686 1.21234 1.21812 1.22001 1.23160 1.24280 1.24770 1.25573 1.26052 1.27175 1.27985 1.28536 1.29183 1.29824 1.30123 1.31898 1.32168 1.32805 1.33360 1.34194 1.34671 1.36070 1.36466 1.37201 1.38124 1.38707 1.39992 1.40720 1.41896 1.42142 1.43050 1.43883 1.44680 1.45071 1.45281 1.45915 1.46716 1.47671 1.47957 1.48574 1.49497 1.49623 1.50179 1.50646 1.51026 1.51513 1.52030 1.52981 1.53419 1.54163 1.54577 1.55173 1.55842 1.56704 1.57341 1.58585 1.58973 1.59971 1.60589 1.60825 1.61356 1.62172 1.62862 1.63851 1.66051 1.66843 1.67167 1.67932 1.68619 1.69808 1.70249 1.70588 1.71995 1.72758 1.73414 1.74623 1.76184 1.76666 1.78120 1.79352 1.80710 1.81323 1.81920 1.82967 1.83705 1.85786 1.86464 1.87466 1.88387 1.90154 1.91058 1.92622 1.93019 1.93735 1.95212 1.96660 1.97563 1.99385 1.99916 2.01772 2.02129 2.05220 2.05761 2.05871 2.06456 2.07159 2.08931 2.09117 2.10861 2.12158 2.12688 2.14133 2.14766 2.17120 2.17321 2.18463 2.19660 2.21009 2.21737 2.22228 2.23726 2.25437 2.27342 2.28294 2.29981 2.30306 2.31069 2.32157 2.34391 2.35462 2.37149 2.38707 2.39667 2.40874 2.41692 2.43239 2.43386 2.44311 2.45339 2.46938 2.48953 2.50400 2.50901 2.52545 2.53631 2.55734 2.56138 2.56915 2.59662 2.60609 2.61192 2.62030 2.62961 2.64203 2.65781 2.66509 2.67126 2.67669 2.68781 2.70829 2.71501 2.73110 2.74293 2.75962 2.76028 2.76727 2.78519 2.79484 2.79822 2.80561 2.81735 2.82686 2.83088 2.83939 2.84998 2.86092 2.86832 2.87042 2.87560 2.88338 2.89266 2.90759 2.91381 2.91883 2.92477 2.93117 2.93506 2.94931 2.96600 2.98028 2.98682 2.99537 3.00653 3.00861 3.01717 3.02108 3.02366 3.02803 3.03098 3.03518 3.04126 3.04774 3.05929 3.06872 3.07032 3.07538 3.08268 3.08851 3.10056 3.10916 3.11897 3.12394 3.12577 3.13176 3.13654 3.14890 3.15067 3.16105 3.16564 3.17970 3.18539 3.19041 3.19650 3.20331 3.20886 3.21457 3.21734 3.22475 3.23498 3.23786 3.24500 3.25842 3.26386 3.27326 3.27573 3.28894 3.29746 3.30422 3.31216 3.32313 3.32732 3.33212 3.33980 3.34545 3.35359 3.36634 3.37793 3.38296 3.38650 3.39140 3.40449 3.41130 3.41710 3.42035 3.42629 3.43933 3.44416 3.45247 3.46248 3.46555 3.47250 3.47864 3.48418 3.49311 3.51095 3.51480 3.52034 3.52974 3.53622 3.53995 3.55380 3.55996 3.56185 3.56560 3.58541 3.59320 3.59914 3.60566 3.61700 3.62244 3.63002 3.63395 3.64030 3.64479 3.65417 3.66418 3.66943 3.67490 3.68880 3.69349 3.70748 3.71712 3.71965 3.72686 3.73320 3.74137 3.74616 3.75561 3.75925 3.76591 3.77868 3.78933 3.79582 3.79952 3.80621 3.80968 3.83166 3.83936 3.84273 3.84507 3.84859 3.85405 3.86368 3.86585 3.89556 3.89875 3.90139 3.90505 3.92189 3.92342 3.93353 3.95126 3.95523 3.95978 3.96935 3.98281 3.98849 3.99134 4.00440 4.00466 4.01451 4.01686 4.02591 4.03580 4.03896 4.04982 4.05404 4.06054 4.07041 4.08085 4.08696 4.08928 4.09628 4.10340 4.11052 4.12184 4.13664 4.14190 4.14590 4.14903 4.16367 4.16930 4.17460 4.18894 4.20051 4.20303 4.20644 4.20913 4.22396 4.23349 4.23581 4.24243 4.24839 4.25934 4.26632 4.27593 4.29890 4.30583 4.31337 4.32250 4.32749 4.33343 4.33832 4.34153 4.35164 4.35963 4.36575 4.37279 4.37624 4.38777 4.39994 4.41445 4.42414 4.42868 4.43482 4.44870 4.45199 4.46030 4.46904 4.47461 4.49160 4.49408 4.51462 4.52146 4.52342 4.55215 4.56593 4.58342 4.59320 4.60241 4.61171 4.62469 4.63438 4.63941 4.64356 4.65635 4.66214 4.67237 4.67799 4.70824 4.72355 4.73029 4.74121 4.74587 4.75496 4.76538 4.77919 4.79044 4.79970 4.80981 4.81215 4.82914 4.83315 4.85943 4.86515 4.87163 4.88398 4.88989 4.90399 4.90648 4.91824 4.92974 4.94453 4.96180 4.96703 4.98079 5.01051 5.01120 5.01417 5.02335 5.04156 5.04367 5.05039 5.06962 5.08590 5.08874 5.09656 5.11086 5.11847 5.12258 5.13147 5.14254 5.14935 5.15386 5.17607 5.18455 5.18857 5.21013 5.21384 5.22143 5.22640 5.23758 5.25955 5.27420 5.28005 5.30448 5.32438 5.33498 5.34420 5.35185 5.36554 5.37900 5.38360 5.39457 5.41350 5.41470 5.43069 5.43744 5.44443 5.45309 5.45674 5.47050 5.47770 5.49028 5.49235 5.51012 5.51092 5.52980 5.53930 5.54859 5.55184 5.57246 5.59097 5.59548 5.60548 5.61143 5.62248 5.63784 5.65601 5.66446 5.67904 5.69653 5.70860 5.73197 5.73757 5.74590 5.78446 5.79551 5.80000 5.80314 5.85872 5.86663 5.92493 6.01645 6.04286 6.05343 6.09254 6.12165 6.13885 6.14118 6.14963 6.18737 6.20779 6.27929 6.29703 6.30701 6.35844 6.44212 6.50127 6.54926 6.60807 6.82805 6.83793 6.86837 6.91409 6.99094 7.09843 7.10703 7.40397 7.41735 7.48313 7.52582 15.90496 23.06959 23.10576 23.21699 23.27338 23.32073 23.47513 23.48312 23.50178 23.56000 23.59101 23.69284 23.80565 33.04391 33.28948 44.35965 44.37564 -19.28230 -19.25536 -14.49359 -14.48360 -10.37685 -10.35969 -10.35943 -10.34868 -10.34848 -10.34819 -10.34733 -10.32290 -10.31425 -10.31396 -10.28543 -10.22319 -6.77063 -1.18233 -1.13929 -1.09601 -1.07978 -0.92990 -0.91172 -0.88823 -0.83765 -0.82135 -0.79785 -0.75437 -0.74868 -0.74396 -0.69123 -0.67317 -0.64761 -0.62723 -0.62328 -0.60141 -0.59754 -0.57608 -0.56631 -0.56403 -0.56350 -0.55897 -0.54452 -0.54221 -0.52398 -0.51555 -0.50296 -0.50132 -0.49500 -0.47130 -0.45268 -0.44880 -0.43947 -0.43223 -0.42498 -0.40011 -0.39230 -0.38241 -0.37262 -0.36577 -0.34278 -0.33298 -0.30896 0.01908 0.02899 0.07148 0.08473 0.10944 0.11235 0.12003 0.12653 0.13841 0.14199 0.15146 0.15448 0.15833 0.16214 0.16471 0.17079 0.17621 0.18229 0.18679 0.19106 0.19493 0.19846 0.20487 0.21307 0.21396 0.21668 0.22482 0.23160 0.23490 0.23781 0.24209 0.25201 0.25922 0.26242 0.26950 0.27719 0.28707 0.29164 0.29469 0.29868 0.30983 0.31384 0.32502 0.32624 0.33314 0.33945 0.34951 0.35466 0.36077 0.36421 0.36874 0.37099 0.37552 0.38245 0.38664 0.39046 0.39775 0.40573 0.41068 0.41272 0.41996 0.42514 0.42633 0.42683 0.44173 0.44601 0.44942 0.45325 0.45718 0.46240 0.46540 0.46852 0.46892 0.47303 0.47509 0.48076 0.48546 0.48876 0.49251 0.50061 0.50880 0.51472 0.51487 0.52346 0.52816 0.53294 0.53494 0.54389 0.54946 0.54997 0.55517 0.55891 0.56301 0.56885 0.57458 0.58230 0.58867 0.60006 0.60571 0.60940 0.61710 0.62756 0.63374 0.64233 0.64634 0.65728 0.66165 0.66931 0.67799 0.68184 0.68887 0.69554 0.70386 0.70992 0.71987 0.72234 0.73184 0.73610 0.74347 0.74921 0.75877 0.76664 0.77291 0.77456 0.78267 0.78990 0.79858 0.80601 0.81469 0.82383 0.82597 0.83460 0.83670 0.85129 0.85491 0.85754 0.87512 0.88842 0.89267 0.89861 0.90302 0.91057 0.91411 0.91911 0.92576 0.93335 0.94499 0.95723 0.96300 0.96552 0.97069 0.97664 0.98510 0.99121 0.99534 1.00620 1.00879 1.02072 1.02768 1.03974 1.04734 1.05652 1.06099 1.06856 1.07244 1.07714 1.08686 1.08973 1.10161 1.10752 1.11444 1.11760 1.12246 1.12911 1.14031 1.14958 1.15168 1.15855 1.16395 1.17157 1.17709 1.18748 1.19293 1.19527 1.20499 1.20807 1.21399 1.21882 1.22093 1.23274 1.24352 1.24858 1.25614 1.26080 1.27295 1.28051 1.28664 1.29388 1.29940 1.30449 1.32051 1.32255 1.32846 1.33532 1.34333 1.34707 1.36311 1.36564 1.37348 1.38356 1.38779 1.40035 1.40863 1.42013 1.42328 1.43081 1.43961 1.44990 1.45163 1.45334 1.45974 1.46836 1.47732 1.48069 1.48634 1.49592 1.49797 1.50196 1.50806 1.51162 1.51680 1.52184 1.53058 1.53502 1.54271 1.54735 1.55230 1.55931 1.56969 1.57931 1.58731 1.59255 1.60269 1.60780 1.61059 1.61456 1.62481 1.63150 1.63945 1.66110 1.66937 1.67274 1.68084 1.68836 1.69961 1.70451 1.70705 1.72026 1.72977 1.73498 1.74777 1.76417 1.77053 1.78154 1.79409 1.80943 1.81470 1.81985 1.83077 1.83805 1.85905 1.86631 1.87512 1.88660 1.90265 1.91310 1.92787 1.93211 1.93795 1.95539 1.96688 1.97860 1.99470 2.00322 2.01892 2.02340 2.05488 2.05920 2.06253 2.06602 2.07313 2.09102 2.09206 2.11375 2.12399 2.12895 2.14283 2.14898 2.17333 2.17567 2.18684 2.19846 2.21196 2.21825 2.22405 2.23858 2.25592 2.27534 2.28362 2.30180 2.30593 2.31272 2.32270 2.34558 2.35587 2.37208 2.38965 2.40106 2.41291 2.41699 2.43275 2.43640 2.44380 2.45541 2.47133 2.49342 2.50468 2.51151 2.52787 2.53665 2.55872 2.56285 2.57005 2.59812 2.60688 2.61256 2.62086 2.63056 2.64394 2.65851 2.66633 2.67433 2.67708 2.68946 2.70861 2.71627 2.73331 2.74355 2.76014 2.76058 2.76876 2.78711 2.79579 2.79849 2.80829 2.81948 2.82841 2.83174 2.83976 2.85155 2.86223 2.86891 2.87063 2.87847 2.88697 2.89678 2.90963 2.91464 2.91962 2.92653 2.93309 2.93942 2.95188 2.96732 2.98180 2.98831 2.99654 3.00736 3.01023 3.01772 3.02227 3.02484 3.02962 3.03269 3.03583 3.04387 3.05296 3.06006 3.06920 3.07446 3.07611 3.08413 3.09172 3.10253 3.11407 3.12134 3.12613 3.12713 3.13256 3.13881 3.15235 3.15382 3.16302 3.17628 3.18337 3.18921 3.19074 3.19713 3.20507 3.21153 3.21513 3.22117 3.22695 3.23795 3.23902 3.24591 3.26016 3.26763 3.27416 3.27876 3.29030 3.29829 3.30614 3.32124 3.32442 3.33185 3.33595 3.34311 3.34667 3.35729 3.36806 3.37972 3.38453 3.38894 3.39637 3.41062 3.41250 3.42050 3.42238 3.42888 3.44240 3.44713 3.45442 3.46405 3.46855 3.47421 3.47977 3.48636 3.49453 3.51468 3.51724 3.52076 3.53093 3.53712 3.54095 3.55659 3.56119 3.56439 3.56765 3.58639 3.59495 3.59986 3.60671 3.61989 3.62343 3.63227 3.63523 3.64176 3.64600 3.65679 3.66705 3.67811 3.68155 3.69026 3.69526 3.70826 3.71775 3.72100 3.73109 3.73686 3.74334 3.74746 3.75633 3.76007 3.76694 3.78008 3.79096 3.79641 3.80002 3.80794 3.81208 3.83250 3.84154 3.84359 3.84562 3.85052 3.85446 3.86441 3.86673 3.89674 3.90008 3.90242 3.90541 3.92325 3.92409 3.93586 3.95326 3.95571 3.96085 3.97082 3.98371 3.99012 3.99168 4.00481 4.00630 4.01570 4.01833 4.02668 4.03797 4.04015 4.05222 4.05453 4.06151 4.07201 4.08141 4.08731 4.08981 4.09701 4.10484 4.11114 4.12407 4.13775 4.14313 4.14818 4.14959 4.16452 4.17104 4.17651 4.18953 4.20080 4.20334 4.20709 4.20957 4.22499 4.23393 4.23804 4.24316 4.24879 4.26009 4.26736 4.27730 4.30035 4.30678 4.31446 4.32284 4.32923 4.33389 4.33953 4.34205 4.35250 4.36037 4.36654 4.37444 4.37798 4.38842 4.40055 4.41460 4.42576 4.42940 4.43601 4.44887 4.45359 4.46066 4.47084 4.47500 4.49434 4.49478 4.51591 4.52222 4.52456 4.55245 4.56627 4.58397 4.59710 4.60298 4.61307 4.62497 4.63550 4.64085 4.64406 4.65687 4.66343 4.67263 4.67871 4.71054 4.72406 4.73089 4.74151 4.74759 4.75540 4.76545 4.77976 4.79102 4.80088 4.81109 4.81556 4.83062 4.83359 4.86088 4.86732 4.87273 4.88757 4.89091 4.90629 4.90960 4.92097 4.93060 4.94498 4.96402 4.96966 4.98192 5.01185 5.01287 5.01440 5.02552 5.04208 5.04409 5.05516 5.07016 5.08684 5.08892 5.09855 5.11131 5.11890 5.12286 5.13307 5.14283 5.15092 5.15515 5.17637 5.18529 5.18870 5.21055 5.21594 5.22227 5.22666 5.23823 5.26145 5.27454 5.28111 5.30634 5.32590 5.33547 5.34461 5.35273 5.36579 5.37911 5.38383 5.39488 5.41449 5.41550 5.43134 5.43816 5.44632 5.45314 5.45920 5.47122 5.47801 5.49074 5.49261 5.51044 5.51413 5.52999 5.53984 5.54902 5.55281 5.57530 5.59251 5.59623 5.60572 5.61199 5.62269 5.63793 5.65661 5.66473 5.67922 5.69660 5.70915 5.73209 5.73886 5.74879 5.78453 5.79596 5.80017 5.80902 5.85883 5.86838 5.92495 6.01762 6.05131 6.05358 6.09319 6.12173 6.14086 6.14176 6.15464 6.19430 6.20865 6.27932 6.29711 6.30705 6.35845 6.44212 6.50670 6.54926 6.61297 6.82814 6.83794 6.87898 6.92502 6.99094 7.09844 7.11779 7.40714 7.41735 7.48313 7.53037 15.90666 23.08211 23.11102 23.21727 23.27339 23.32074 23.47534 23.48313 23.50178 23.56003 23.59111 23.69283 23.80574 33.04375 33.28952 44.36274 44.37567 2-A. 8.0151 1.6593 -0.0700 8.1853 -133.6355 -103.2385 -99.1608 -6.6351 -0.4543 9.2462 -21.6239 8.7731 12.8508 -6.6351 -0.4543 9.2462 127.1356 32.5796 -5.5525 42.7814 34.1521 -13.3445 40.8615 5.3339 -12.6225 -6.9524 -6342.8315 -1059.6045 -601.6507 -152.0469 22.1722 -88.0975 20.3242 13.7512 31.3811 -1158.7778 -1005.3945 -270.8428 101.9616 24.2367 -14.8031 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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-NODO01 NSF 2024-07-24T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-754.095483 S2=0.754431 S2-1=0. S2A=0.750014 RMSD=4.003e-09 Dipole=3.1745086,0.523924,-0.1366452 Quadrupole=-16.4051711,3.0122798,13.3928913,-3.4640802,1.2483987,5.05037 PG=C01 [X(C12H20B1N2O2)] 0 -0.4038085563 -0.9481928751 1.1623379775 0 0.9416401649 -0.6666972576 1.0415481452 0 1.5900339362 -0.8089774132 -0.2068663065 0 0.7810248694 -1.3120548521 -1.2542696022 0 -0.5558954945 -1.5649029606 -1.0388964531 0 1.1747109055 -1.5008154386 -2.2496249488 0 -2.7545222325 -1.4878785858 0.2773831467 0 -3.0975623863 -2.4761941776 -0.3679082639 0 -2.9807554034 -1.6061346525 1.4804007166 0 -1.1551575082 -1.3841941652 0.1449687405 0 -3.3708284784 -0.0891738864 -0.3430416006 0 -3.2704840485 -0.0724603406 -1.4440690834 0 -4.4521925596 -0.0873736251 -0.1250424989 0 -2.757364001 1.1447736448 0.2025821961 0 -2.8707985284 1.4009878172 1.2689397575 0 -1.5411218178 1.4712538705 -0.3391861654 0 -0.870190834 2.5279013729 0.2743132972 0 0.0714968288 2.6910548617 -0.2682484368 0 -1.4637029822 3.4600742754 0.2503495005 0 -0.6313381778 2.2987502008 1.332150621 0 1.4668786686 -0.3324933342 1.9325303702 0 -0.9291745749 -0.8234468897 2.1100601943 0 -1.2012641938 -1.9285466997 -1.8401274434 0 3.7658572785 -0.2332720526 0.7615475391 0 3.6162838773 -0.9386659526 -1.5819787302 0 5.0170800316 0.538936955 0.3670035659 0 4.0502751054 -1.1886331096 1.2442050045 0 3.2280595318 0.3706807196 1.5025526076 0 4.8761531604 -0.1205167717 -1.8271131204 0 3.8778236854 -2.010480713 -1.4861851547 0 2.9753015464 -0.8267121677 -2.4645417828 0 5.7052002657 0.5834781802 1.222133006 0 4.7360107515 1.5765802239 0.0948429463 0 5.4574617686 -0.5770168603 -2.6397390104 0 4.5921246166 0.9050526818 -2.1387933223 0 2.9100438853 -0.4824041013 -0.3912489966 0 5.6950514696 -0.0715039608 -0.6935335623