Gaussian 16 GINC-NODO01 BPR coments ES64L-G16RevC.02 2-Jul-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 35 35 73 74 364 (5D, 7F) def2SVP 99 99 C1[X(C13H14BN6O)] C1[X(C13H14BN6O)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 266.98969999999986 0 2 AuxInfo=1/0/N:18,14,16,12,13,4,5,2,3,1,11,8,9,6,7,22,10;29,25,32,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15);(2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.2,7.2,8.3,9.3,10.3,11.4,12.1,13.1,14.2,15.2,17.1;1.3/rA:35nC3C3C3C2C2N2N2N1N1O1B4C3C3C3HC3HC3HHHNHNCHHHC3HHCHHH/rB:s1;s1;s2;s3;s2;s3;s4;s5;s1;s6s7;;;s12;s12;s13;s13;s14s16;s14;s16;s18;s11s12s13;s11;;s24;s25;s25;s25;s24;s29;s29;s24;s32;s32;s32;/rC:2.6356,-.5968,-.3167;1.9415,-1.5731,.5464;1.7373,.1539,-1.2164;2.7738,-2.3421,1.4533;2.3633,1.1293,-2.09;.6522,-1.7749,.5362;.4435,-.01,-1.2653;3.4029,-2.9742,2.1898;2.8246,1.9158,-2.8016;3.8536,-.4241,-.2887;-.0694,-.9799,-.3786;-2.163,-2.1076,.4061;-2.3562,-.4725,-1.2637;-3.5298,-2.323,.3968;-1.4607,-2.6379,1.0528;-3.7281,-.6447,-1.3171;-1.8003,.236,-1.8816;-4.3265,-1.5826,-.4761;-3.9596,-3.0652,1.0695;-4.3163,-.0466,-2.0131;-5.4072,-1.7355,-.5009;-1.6003,-1.1967,-.4137;-.1726,-.1462,.4501;-1.7152,3.6284,2.382;-.3758,3.7397,1.7866;-.4006,4.4448,.9822;.3186,4.0712,2.5302;-.0705,2.7842,1.4142;-1.6812,2.6595,3.487;-.9868,2.9908,4.2306;-2.6562,2.5785,3.9205;-2.6692,3.1733,1.3605;-3.6442,3.0922,1.7939;-2.694,3.8785,.5562;-2.364,2.2179,.9878; /usr/local/CompChem/Gaussian/g16/g16 Output=1_p_TMA_2.log chk=1_p_TMA_2.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 12 12 12 12 12 14 14 14 14 16 11 12 12 12 1 12 1 12 1 1 1 14 1 14 12 1 1 1 12 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 14.0030740 14.0030740 14.0030740 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 2 2 2 2 0 3 0 0 0 1 0 1 0 1 1 1 2 1 2 0 1 1 1 0 1 1 0 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (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 1 1 1 2 2 3 3 4 5 6 7 11 11 12 12 12 13 13 13 14 14 16 16 18 23 24 24 24 25 25 25 29 29 32 32 32 2 3 10 4 6 5 7 8 9 11 11 22 23 14 15 22 16 17 22 18 19 18 20 21 28 25 29 32 26 27 28 30 31 33 34 35 1.4765 1.4765 1.2304 1.4514 1.3051 1.4514 1.3051 1.1566 1.1566 1.4106 1.4106 1.5466 1.18 1.3837 1.0921 1.3485 1.3837 1.0921 1.3484 1.3946 1.09 1.3946 1.09 1.0918 3.0867 1.47 1.47 1.47 1.07 1.07 1.07 1.07 1.07 1.07 1.07 1.07 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 2 2 3 1 1 4 1 1 5 2 3 6 6 6 7 7 22 14 14 15 16 16 17 12 12 18 13 13 18 14 14 16 11 11 12 11 25 25 29 24 24 24 26 26 27 23 24 24 30 24 24 24 33 33 34 1 1 1 2 2 2 3 3 3 6 7 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 18 18 18 22 22 22 23 24 24 24 25 25 25 25 25 25 28 29 29 29 32 32 32 32 32 32 3 10 10 4 6 6 5 7 7 11 11 7 22 23 22 23 23 15 22 22 17 22 22 18 19 19 18 20 20 16 21 21 12 13 13 28 29 32 32 26 27 28 27 28 28 25 30 31 31 33 34 35 34 35 35 113.9767 123.0114 123.0119 116.4891 124.2048 119.306 116.4898 124.204 119.3061 115.0422 115.0429 127.5293 116.2369 89.2811 116.2338 89.2816 91.6267 124.3026 120.8806 114.8168 124.3029 120.8807 114.8164 119.0681 119.4308 121.5011 119.0681 119.4296 121.5022 119.298 120.3506 120.3514 119.5988 119.5967 120.8045 152.5254 109.4712 109.4713 109.4712 109.4712 109.4712 109.4712 109.4713 109.4712 109.4712 161.2764 109.4713 109.4712 109.4712 109.4712 109.4712 109.4713 109.4713 109.4713 109.4712 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A56 A57 A58 A59 2 3 2 3 4 5 4 5 8 9 8 9 30 25 30 25 -1 -1 -2 -2 179.502 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 179.3498 177.7548 182.0649 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 3 3 10 10 2 2 10 10 1 4 1 5 2 2 2 3 3 3 6 6 7 7 23 23 6 7 22 15 15 22 22 14 14 15 15 17 17 22 22 16 16 17 17 12 12 19 19 13 13 20 20 11 29 29 29 32 32 32 25 25 32 32 25 25 25 29 29 29 24 26 27 1 1 1 1 1 1 1 1 2 2 3 3 6 6 6 7 7 7 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 16 16 16 16 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 2 2 2 2 3 3 3 3 6 6 7 7 11 11 11 11 11 11 22 22 22 22 22 22 23 23 23 14 14 14 14 22 22 22 22 16 16 16 16 22 22 22 22 18 18 18 18 18 18 18 18 28 25 25 25 25 25 25 29 29 29 29 32 32 32 32 32 32 28 28 28 4 6 4 6 5 7 5 7 11 11 11 11 7 22 23 6 22 23 12 13 12 13 12 13 28 28 28 18 19 18 19 11 13 11 13 18 20 18 20 11 12 11 12 16 21 16 21 14 21 14 21 25 26 27 28 26 27 28 30 31 30 31 33 34 35 33 34 35 23 23 23 179.9922 -0.0094 -0.0108 179.9876 -179.9924 0.0086 0.0106 -179.9885 0.0059 -179.9958 -0.0043 179.9967 -0.0009 179.9982 -88.5425 0.0001 -179.999 88.5415 0.0144 -179.988 -179.9865 0.0112 -89.9858 90.0118 135.0905 7.5428 -108.6818 -179.9933 0.0039 0.0007 179.9979 179.9966 -0.001 -0.0089 179.9935 -179.9909 0.0047 0.0007 179.9963 -179.9973 0.0003 -0.005 179.9927 0.0004 -179.9991 -179.9968 0.0038 -0.001 179.9984 -179.9965 0.0029 113.9219 179.9889 -60.011 59.9889 59.9889 179.989 -60.011 59.9974 179.9974 179.9974 -60.0026 179.9983 -60.0017 59.9983 59.9983 179.9983 -60.0017 15.7845 -104.2154 135.7845 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 385 A 364 A 623 385 1471.6933634530 35 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 51 out of a maximum of 176 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00096 0.00113 0.00326 0.00381 0.00680 0.00759 0.00920 0.01077 0.01417 0.01795 0.01932 0.02096 0.02158 0.02215 0.02231 0.02247 0.02273 0.02323 0.02412 0.02492 0.02736 0.02835 0.03346 0.03962 0.04593 0.04767 0.04927 0.05109 0.05476 0.06068 0.06530 0.06844 0.07212 0.07521 0.07757 0.09554 0.11614 0.11915 0.14773 0.15380 0.15691 0.15910 0.15966 0.16004 0.16017 0.16099 0.16193 0.16233 0.16525 0.16681 0.18306 0.20663 0.22009 0.22091 0.22906 0.23655 0.24214 0.24605 0.24886 0.25002 0.25006 0.25062 0.25585 0.28166 0.31445 0.33308 0.34591 0.34611 0.34693 0.34760 0.34813 0.34839 0.35829 0.36555 0.37051 0.37185 0.37227 0.37284 0.37472 0.37623 0.37902 0.38014 0.38057 0.38730 0.40457 0.41581 0.43691 0.44043 0.45106 0.48694 0.51268 0.53474 0.55157 0.62132 0.66832 0.91147 1.14313 1.30069 1.30079 -1.86083980e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 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 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 2.85752 2.85865 2.27364 2.76004 2.39552 2.76074 2.39536 2.18379 2.18415 2.85266 2.85501 3.00800 2.32508 2.60938 2.06152 2.54527 2.63370 2.05512 2.53894 2.64594 2.05958 2.61876 2.05997 2.06321 4.50294 2.72561 2.59171 2.72891 2.08110 2.07541 2.08829 2.06431 2.06697 2.07760 2.07972 2.09087 1.98582 2.15244 2.14391 2.01460 2.16029 2.10799 2.02058 2.16404 2.09836 2.06985 2.06467 2.05153 1.89460 1.87263 1.90461 1.86891 1.86275 2.15113 2.12012 2.01174 2.15274 2.10972 2.01835 2.07461 2.08694 2.12156 2.08120 2.08006 2.12189 2.07878 2.10088 2.10350 2.07756 2.09980 2.10130 1.95729 2.09803 2.01813 2.08133 1.91807 1.91875 1.95526 1.89072 1.88863 1.89096 2.05543 2.03765 2.02961 2.05973 1.91834 1.92214 1.94646 1.88736 1.90098 1.88728 3.11996 3.10423 3.10578 3.17234 2.94890 -0.16644 -0.14546 3.02238 -2.96461 0.15529 0.13002 -3.03327 -0.08589 3.08330 0.10600 -3.05820 0.35486 2.52588 -1.75034 -0.36461 -2.53061 1.74254 0.63930 -2.60390 2.89508 -0.34811 -1.37410 1.66589 2.32686 0.10963 -1.92822 -3.11190 0.01642 0.00762 3.13593 3.05687 0.01696 -0.10515 3.13814 3.10011 -0.04943 0.03579 -3.11375 -3.07748 -0.03888 0.13571 -3.10888 -0.01006 3.12587 -3.13810 -0.00217 -0.01095 3.13632 3.13879 0.00287 2.08335 -2.61139 -0.53187 1.57166 0.96617 3.04569 -1.13396 0.42674 2.98679 3.11676 -0.60638 -2.96188 -0.88424 1.21118 0.61126 2.68891 -1.49885 -1.27942 2.88659 0.84018 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -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 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 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 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 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 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00002 0.00002 -0.00001 -0.00002 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 0.00000 0.00000 -0.00044 -0.00001 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00001 -0.00001 -0.00000 -0.00001 0.00001 -0.00000 -0.00001 0.00000 -0.00000 0.00001 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00002 0.00001 -0.00005 0.00004 -0.00002 0.00001 0.00001 0.00001 0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00001 -0.00001 0.00001 0.00000 -0.00001 0.00014 0.00003 -0.00000 0.00002 0.00001 0.00001 -0.00002 -0.00000 -0.00002 0.00002 -0.00044 0.00000 0.00002 -0.00000 -0.00001 0.00000 -0.00001 0.00001 -0.00002 0.00003 -0.00004 -0.00001 0.00022 -0.00001 0.00018 0.00010 0.00015 0.00007 -0.00011 -0.00010 -0.00009 -0.00007 -0.00002 -0.00010 0.00001 0.00003 -0.00007 -0.00003 0.00001 0.00007 0.00004 0.00001 -0.00010 -0.00008 -0.00006 -0.00004 -0.00010 -0.00008 -0.00005 -0.00002 -0.00003 0.00001 0.00001 0.00001 0.00001 0.00004 0.00002 0.00004 0.00001 -0.00001 0.00001 0.00001 0.00003 -0.00005 -0.00003 -0.00002 -0.00000 -0.00002 -0.00003 -0.00002 -0.00003 0.00001 0.00001 -0.00001 -0.00000 0.00029 0.00035 0.00036 0.00038 0.00023 0.00025 0.00026 -0.00003 0.00000 0.00009 0.00012 -0.00020 -0.00020 -0.00017 -0.00032 -0.00032 -0.00029 -0.00043 -0.00042 -0.00042 -0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00002 -0.00003 0.00000 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 -0.00001 0.00001 -0.00000 -0.00000 0.00001 0.00000 0.00000 0.00001 0.00000 -0.00001 0.00001 -0.00000 0.00002 -0.00001 -0.00001 -0.00001 0.00000 0.00001 -0.00000 -0.00002 -0.00001 0.00001 0.00001 -0.00001 -0.00001 0.00002 0.00000 -0.00001 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00003 0.00002 0.00001 0.00010 0.00000 -0.00001 0.00001 0.00002 0.00001 -0.00002 0.00000 -0.00001 -0.00001 -0.00006 0.00000 -0.00001 -0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00001 0.00005 -0.00003 -0.00004 0.00001 -0.00005 -0.00010 -0.00005 -0.00010 0.00016 0.00009 0.00016 0.00009 -0.00000 -0.00005 0.00001 -0.00006 0.00011 0.00010 0.00014 -0.00012 -0.00012 -0.00013 0.00002 0.00004 0.00000 0.00003 -0.00001 0.00002 0.00001 0.00003 0.00004 0.00002 0.00001 0.00001 0.00000 0.00004 0.00001 0.00003 0.00000 -0.00001 -0.00002 0.00004 0.00002 -0.00006 -0.00003 -0.00002 0.00001 -0.00000 -0.00001 0.00000 -0.00000 -0.00002 -0.00001 -0.00000 0.00000 -0.00025 0.00018 0.00021 0.00020 0.00016 0.00018 0.00017 -0.00008 -0.00010 -0.00006 -0.00008 -0.00000 -0.00001 0.00000 -0.00003 -0.00003 -0.00002 0.00016 0.00016 0.00016 -0.00001 0.00000 0.00000 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00003 0.00003 -0.00003 -0.00002 0.00001 -0.00000 -0.00001 -0.00001 -0.00000 0.00001 -0.00001 -0.00000 0.00001 -0.00000 0.00000 -0.00045 -0.00002 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00001 0.00000 0.00001 -0.00001 0.00002 -0.00001 -0.00000 -0.00002 0.00001 0.00000 0.00001 -0.00003 0.00000 0.00002 -0.00002 0.00001 -0.00007 0.00006 -0.00002 0.00000 0.00002 0.00001 -0.00000 -0.00002 -0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 0.00001 -0.00001 -0.00002 0.00003 -0.00000 0.00024 0.00003 -0.00001 0.00003 0.00003 0.00002 -0.00003 0.00000 -0.00003 0.00001 -0.00049 0.00001 0.00001 -0.00001 -0.00001 0.00001 -0.00002 0.00000 -0.00002 0.00003 0.00001 -0.00004 0.00018 -0.00000 0.00012 -0.00000 0.00010 -0.00003 0.00005 -0.00000 0.00008 0.00002 -0.00002 -0.00015 0.00003 -0.00003 0.00005 0.00007 0.00015 -0.00005 -0.00008 -0.00012 -0.00008 -0.00003 -0.00006 -0.00001 -0.00010 -0.00006 -0.00004 0.00001 0.00001 0.00003 0.00003 0.00001 0.00001 0.00008 0.00003 0.00007 0.00002 -0.00002 -0.00002 0.00005 0.00005 -0.00011 -0.00006 -0.00004 0.00000 -0.00002 -0.00003 -0.00002 -0.00003 -0.00001 0.00000 -0.00001 -0.00000 0.00004 0.00054 0.00057 0.00058 0.00039 0.00042 0.00043 -0.00011 -0.00010 0.00003 0.00004 -0.00021 -0.00020 -0.00017 -0.00035 -0.00035 -0.00031 -0.00027 -0.00026 -0.00025 2.85751 2.85865 2.27365 2.76004 2.39552 2.76074 2.39536 2.18379 2.18415 2.85263 2.85505 3.00796 2.32506 2.60939 2.06152 2.54526 2.63369 2.05511 2.53895 2.64593 2.05958 2.61876 2.05997 2.06321 4.50249 2.72559 2.59171 2.72891 2.08111 2.07540 2.08829 2.06431 2.06697 2.07760 2.07972 2.09087 1.98582 2.15245 2.14390 2.01462 2.16028 2.10799 2.02056 2.16405 2.09837 2.06986 2.06464 2.05153 1.89462 1.87262 1.90461 1.86884 1.86281 2.15111 2.12012 2.01176 2.15275 2.10972 2.01834 2.07461 2.08693 2.12157 2.08120 2.08007 2.12189 2.07879 2.10089 2.10349 2.07754 2.09983 2.10130 1.95753 2.09806 2.01812 2.08137 1.91809 1.91877 1.95523 1.89073 1.88860 1.89097 2.05494 2.03766 2.02962 2.05973 1.91833 1.92214 1.94644 1.88737 1.90096 1.88731 3.11997 3.10418 3.10596 3.17234 2.94903 -0.16644 -0.14537 3.02235 -2.96456 0.15528 0.13009 -3.03324 -0.08591 3.08314 0.10603 -3.05823 0.35491 2.52596 -1.75019 -0.36465 -2.53069 1.74242 0.63922 -2.60393 2.89502 -0.34813 -1.37421 1.66583 2.32682 0.10964 -1.92821 -3.11187 0.01644 0.00763 3.13594 3.05695 0.01699 -0.10508 3.13815 3.10008 -0.04945 0.03584 -3.11370 -3.07759 -0.03894 0.13567 -3.10887 -0.01008 3.12584 -3.13812 -0.00220 -0.01095 3.13632 3.13878 0.00287 2.08339 -2.61086 -0.53131 1.57224 0.96656 3.04611 -1.13353 0.42663 2.98669 3.11679 -0.60634 -2.96209 -0.88444 1.21102 0.61091 2.68856 -1.49917 -1.27968 2.88633 0.83993 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000003 0.001596 0.000307 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -9.191829e-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 1 1 1 2 2 3 3 4 5 6 7 11 11 12 12 12 13 13 13 14 14 16 16 18 23 24 24 24 25 25 25 29 29 32 32 32 2 3 10 4 6 5 7 8 9 11 11 22 23 14 15 22 16 17 22 18 19 18 20 21 28 25 29 32 26 27 28 30 31 33 34 35 1.5121 1.5127 1.2032 1.4606 1.2677 1.4609 1.2676 1.1556 1.1558 1.5096 1.5108 1.5918 1.2304 1.3808 1.0909 1.3469 1.3937 1.0875 1.3435 1.4002 1.0899 1.3858 1.0901 1.0918 2.3829 1.4423 1.3715 1.4441 1.1013 1.0983 1.1051 1.0924 1.0938 1.0994 1.1005 1.1064 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 2 2 3 1 1 4 1 1 5 2 3 6 6 6 7 7 22 14 14 15 16 16 17 12 12 18 13 13 18 14 14 16 11 11 12 11 25 25 29 24 24 24 26 26 27 23 24 24 30 24 24 24 33 33 34 1 1 1 2 2 2 3 3 3 6 7 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 18 18 18 22 22 22 23 24 24 24 25 25 25 25 25 25 28 29 29 29 32 32 32 32 32 32 3 10 10 4 6 6 5 7 7 11 11 7 22 23 22 23 23 15 22 22 17 22 22 18 19 19 18 20 20 16 21 21 12 13 13 28 29 32 32 26 27 28 27 28 28 25 30 31 31 33 34 35 34 35 35 113.779 123.3259 122.837 115.4281 123.7755 120.7792 115.7707 123.9904 120.2273 118.5937 118.2967 117.544 108.5526 107.294 109.126 107.0805 106.7276 123.2509 121.4736 115.2645 123.3429 120.878 115.6431 118.8666 119.5726 121.5562 119.2441 119.1787 121.5755 119.1056 120.3717 120.5219 119.0356 120.3099 120.3956 112.1446 120.2082 115.6303 119.2515 109.8972 109.9362 112.0282 108.3304 108.2103 108.3438 117.7677 116.7489 116.2881 118.0139 109.9127 110.1303 111.5239 108.138 108.9184 108.1332 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A56 A57 A58 2 3 2 4 5 4 8 9 8 30 25 30 -1 -1 -2 178.7605 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 177.8591 177.9481 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 3 3 10 10 2 2 10 10 1 4 1 5 2 2 2 3 3 3 6 6 7 7 23 23 6 7 22 15 15 22 22 14 14 15 15 17 17 22 22 16 16 17 17 12 12 19 19 13 13 20 20 11 29 29 29 32 32 32 25 25 32 32 25 25 25 29 29 29 24 26 1 1 1 1 1 1 1 1 2 2 3 3 6 6 6 7 7 7 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 16 16 16 16 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 25 2 2 2 2 3 3 3 3 6 6 7 7 11 11 11 11 11 11 22 22 22 22 22 22 23 23 23 14 14 14 14 22 22 22 22 16 16 16 16 22 22 22 22 18 18 18 18 18 18 18 18 28 25 25 25 25 25 25 29 29 29 29 32 32 32 32 32 32 28 28 4 6 4 6 5 7 5 7 11 11 11 11 7 22 23 6 22 23 12 13 12 13 12 13 28 28 28 18 19 18 19 11 13 11 13 18 20 18 20 11 12 11 12 16 21 16 21 14 21 14 21 25 26 27 28 26 27 28 30 31 30 31 33 34 35 33 34 35 23 23 168.9597 -9.5362 -8.3345 173.1696 -169.8597 8.8974 7.4494 -173.7935 -4.9212 176.6599 6.0734 -175.2221 20.3322 144.7224 -100.287 -20.8905 -144.9934 99.84 36.629 -149.1924 165.876 -19.9453 -78.7302 95.4484 133.3191 6.2813 -110.4788 -178.2985 0.9406 0.4363 179.6755 175.1455 0.972 -6.0244 179.8021 177.623 -2.8322 2.0504 -178.4049 -176.3265 -2.2276 7.7756 -178.1255 -0.5764 179.0992 -179.7998 -0.1242 -0.6273 179.6976 179.8393 0.1642 119.3669 -149.6219 -30.4742 90.0496 55.3574 174.5051 -64.9711 24.4506 171.1306 178.5772 -34.7429 -169.7033 -50.663 69.3958 35.0229 154.0632 -85.878 -73.3052 165.3895 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0206359002 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.98969999999986 AuxInfo=1/0/N:18,14,16,12,13,4,5,2,3,1,11,8,9,6,7,22,10;29,25,32,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15);(2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.2,7.2,8.3,9.3,10.3,11.4,12.1,13.1,14.2,15.2,17.1;1.3/rA:35nC3C3C3C2C2N2N2N1N1O1B4C3C3C3HC3HC3HHHNHNCHHHC3HHCHHH/rB:s1;s1;s2;s3;s2;s3;s4;s5;s1;s6s7;;;s12;s12;s13;s13;s14s16;s14;s16;s18;s11s12s13;s11;;s24;s25;s25;s25;s24;s29;s29;s24;s32;s32;s32;/rC:2.6356,-.5968,-.3167;1.9415,-1.5731,.5464;1.7373,.1539,-1.2164;2.7738,-2.3421,1.4533;2.3633,1.1293,-2.09;.6522,-1.7749,.5362;.4435,-.01,-1.2653;3.4029,-2.9742,2.1898;2.8246,1.9158,-2.8016;3.8536,-.4241,-.2887;-.0694,-.9799,-.3786;-2.163,-2.1076,.4061;-2.3562,-.4725,-1.2637;-3.5298,-2.323,.3968;-1.4607,-2.6379,1.0528;-3.7281,-.6447,-1.3171;-1.8003,.236,-1.8816;-4.3265,-1.5826,-.4761;-3.9596,-3.0652,1.0694;-4.3163,-.0466,-2.0131;-5.4072,-1.7356,-.5009;-1.6003,-1.1967,-.4137;-.1726,-.1462,.4501;-1.7152,3.6284,2.382;-.3758,3.7397,1.7866;-.4006,4.4448,.9822;.3186,4.0712,2.5302;-.0705,2.7842,1.4142;-1.6812,2.6595,3.487;-.9868,2.9908,4.2306;-2.6562,2.5785,3.9204;-2.6692,3.1733,1.3605;-3.6442,3.0922,1.7939;-2.694,3.8785,.5562;-2.364,2.2179,.9878; 0.000000 1.476464 0.000000 1.476471 2.476213 0.000000 2.489610 1.451407 3.798900 0.000000 2.489624 3.798903 1.451405 4.977389 0.000000 2.459577 1.305059 2.823010 2.379928 4.273127 0.000000 2.459568 2.822994 1.305051 4.273113 2.379921 2.530546 0.000000 3.538816 2.607558 4.915395 1.156568 6.019652 3.426193 5.429679 0.000000 3.538833 4.915400 2.607557 6.019655 1.156569 5.429695 3.426186 7.011422 0.000000 1.230431 2.381888 2.381899 2.806929 2.806959 3.571251 3.571247 3.584488 3.584527 0.000000 2.732727 2.291580 2.291596 3.646302 3.646317 1.410575 1.410591 4.757174 4.757188 3.963158 0.000000 5.082474 4.141521 4.791518 5.052102 6.098777 2.837743 3.739873 5.908592 7.166052 6.286128 2.504094 0.000000 5.082388 4.791469 4.141406 6.098752 5.051956 3.739855 2.837633 7.166041 5.908431 6.286039 2.504054 2.344990 0.000000 6.442118 5.524445 6.039789 6.391535 7.268479 4.220014 4.888647 7.190293 8.280980 7.654342 3.792002 1.383681 2.749338 0.000000 4.777187 3.600716 4.813565 4.263671 6.220304 2.340050 3.988107 5.005993 7.345480 5.911135 2.594940 1.092140 3.295041 2.193315 0.000000 6.442062 6.039787 5.524342 7.268514 6.391378 4.888674 4.219916 8.281038 7.190105 7.654281 3.791986 2.749340 1.383696 2.406949 3.838040 0.000000 4.777026 4.813445 3.600529 6.220201 4.263454 3.988037 2.339885 7.345385 5.005768 5.910967 2.594873 3.295044 1.092144 3.838042 4.121352 2.193334 0.000000 7.033371 6.350862 6.350802 7.396890 7.396776 5.084199 5.084126 8.293777 8.293630 8.263802 4.300644 2.394711 2.394707 1.394621 3.415294 1.394602 3.415294 0.000000 7.177124 6.109222 6.931216 6.782968 8.219178 4.818447 5.845667 7.447743 9.263910 8.358508 4.645305 2.141229 3.838833 1.090000 2.535206 3.407063 4.926376 2.172938 0.000000 7.177012 6.931173 6.109058 8.219174 6.782732 5.845666 4.818303 9.263929 7.447463 8.358385 4.645266 3.838835 2.141229 3.407073 4.926374 1.090000 2.535208 2.172932 4.329137 0.000000 8.125126 7.424724 7.424658 8.433006 8.432880 6.147615 6.147538 9.294677 9.294511 9.355557 5.392399 3.389069 3.389074 2.162312 4.336251 2.162304 4.336261 1.091756 2.515848 2.515861 0.000000 4.279329 3.688922 3.688904 4.891928 4.891893 2.512089 2.512061 5.913530 5.913486 5.509759 1.546601 1.348456 1.348440 2.376592 2.060910 2.376591 2.060893 2.754042 3.355171 3.355159 3.845798 0.000000 2.945675 2.552380 2.552392 3.809161 3.809171 1.827663 1.827683 4.879361 4.879363 4.102798 1.180000 2.794717 2.794905 4.001465 2.868961 4.001616 2.869185 4.491744 4.821336 4.821518 5.552583 1.971799 0.000000 6.638118 6.617867 6.077843 7.527294 6.548200 6.181197 5.585780 8.356194 7.100183 7.386932 5.618383 6.083263 5.524412 6.530913 6.410759 5.999558 5.449252 6.491698 7.180837 6.291886 7.121355 5.577696 4.512184 0.000000 5.683110 5.927384 5.132377 6.857072 5.417151 5.747309 4.903689 7.714778 5.883965 6.287462 5.201650 6.268243 5.564989 6.973941 6.510723 6.332019 5.268924 7.003938 7.724318 6.655922 7.779867 5.541588 4.114405 1.470000 0.000000 6.026851 6.472258 5.274079 7.507359 5.298117 6.323936 5.060559 8.424146 5.578038 6.589336 5.602588 6.809680 5.748753 7.479164 7.161954 6.500964 5.279670 7.339563 8.311122 6.669109 8.090908 5.934179 4.627387 2.086720 1.070000 0.000000 5.938247 6.198921 5.603057 6.951070 5.846509 6.185780 5.574705 7.698442 6.273222 6.375706 5.841667 6.989061 6.495592 7.761880 7.096480 7.308692 6.217911 7.910742 8.447759 7.686296 8.700005 6.332390 4.728065 2.086721 1.070000 1.747303 0.000000 4.663698 4.877222 4.135997 5.862651 4.576200 4.698822 3.905330 6.769456 5.187326 5.347110 4.169278 5.415213 4.795993 6.251837 5.609162 5.709260 4.510886 6.384035 7.032770 6.147049 7.250947 4.639969 3.086669 2.086721 1.070001 1.747303 1.747303 0.000000 6.611126 6.299711 6.331389 6.999959 7.057165 5.815187 5.850253 7.698706 7.771902 7.375566 5.548588 5.696451 5.730123 6.147536 5.834090 6.179590 5.891536 6.379617 6.618773 6.672148 7.007331 5.485684 4.401300 1.470000 2.400499 3.331921 2.628262 2.628085 0.000000 6.831530 6.555648 6.718460 7.091848 7.391776 6.248698 6.423007 7.682111 8.070543 7.450779 6.152459 6.481007 6.637507 7.028585 6.481093 7.176946 6.753509 7.363597 7.450188 7.700291 8.016538 6.283376 4.979562 2.086720 2.628153 3.606951 2.400574 2.968917 1.070000 0.000000 7.485903 7.053959 7.181092 7.731984 7.963741 6.430437 6.572684 8.398812 8.698490 8.313196 6.151080 5.878214 6.022764 6.099520 6.071515 6.242603 6.315373 6.279695 6.455906 6.697285 6.762187 5.843959 5.063192 2.086720 3.331921 4.147802 3.606973 3.606866 1.070000 1.747303 0.000000 6.720698 6.667059 5.930793 7.749501 6.435090 6.016313 5.168876 8.680446 7.006162 7.629432 5.199293 5.390233 4.502857 5.646091 5.943492 4.782015 4.460265 5.360774 6.377194 4.945805 5.920948 4.836007 4.252204 1.470000 2.400501 2.628086 3.331922 2.628264 2.400500 3.331921 2.628195 0.000000 7.582805 7.383831 6.830472 8.416542 7.418052 6.612822 5.974228 9.306950 8.021669 8.539199 5.837887 5.581904 4.869746 5.593699 6.176646 4.863099 5.006706 5.241390 6.207921 4.979599 5.628614 5.238833 4.934083 2.086719 3.331921 3.606862 4.147802 3.606977 2.628160 3.606919 2.400506 1.070000 0.000000 7.013907 7.155971 6.053997 8.330531 6.335358 6.569533 5.318125 9.316679 6.751412 7.880178 5.600593 6.011478 4.728332 6.259625 6.650679 5.003819 4.473208 5.792625 7.076783 4.963790 6.324299 5.281529 4.750504 2.086719 2.628188 2.400418 3.606883 2.969243 3.331921 4.147802 3.606927 1.070000 1.747303 0.000000 5.883886 5.753558 5.093026 6.885267 5.745044 5.024300 4.233436 7.852338 6.432137 6.875157 4.166297 4.368992 3.508152 4.725212 4.939484 3.920158 3.532593 4.520818 5.519359 4.236069 5.206393 3.769157 3.268073 2.086720 2.628161 2.968928 3.606957 2.400584 2.628188 3.606918 2.969138 1.070000 1.747302 1.747302 0.000000 C13H14BN6O(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 0 266.98969999999986 AuxInfo=1/0/N:18,14,16,12,13,4,5,2,3,1,11,8,9,6,7,22,10;29,25,32,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15);(2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.2,7.2,8.3,9.3,10.3,11.4,12.1,13.1,14.2,15.2,17.1;1.3/rA:35nC3C3C3C2C2N2N2N1N1O1B4C3C3C3HC3HC3HHHNHNCHHHC3HHCHHH/rB:s1;s1;s2;s3;s2;s3;s4;s5;s1;s6s7;;;s12;s12;s13;s13;s14s16;s14;s16;s18;s11s12s13;s11;;s24;s25;s25;s25;s24;s29;s29;s24;s32;s32;s32;/rC:-2.9228,.2613,.1033;-2.4196,-.6372,-.9547;-2.0068,.4077,1.252;-3.2779,-.8206,-2.1106;-2.4481,1.2797,2.325;-1.273,-1.2587,-.9054;-.8512,-.1909,1.3497;-3.9334,-.9924,-3.0479;-2.7645,1.9663,3.2003;-4.0081,.8367,.0339;-.512,-1.0163,.2573;1.2447,-2.5453,-.663;1.6353,-1.5561,1.427;2.4599,-3.205,-.6126;.536,-2.6229,-1.4904;2.8608,-2.1897,1.5326;1.2226,-.8843,2.1827;3.2821,-3.0268,.4997;2.7534,-3.8508,-1.4402;3.4746,-2.0246,2.4181;4.2452,-3.5371,.5612;.8524,-1.7393,.3445;-.0221,-.0844,-.2756;2.8944,3.3062,-.8733;1.5703,3.708,-.377;1.6694,4.1328,.6001;1.1459,4.4329,-1.0397;.9318,2.8506,-.3301;2.7582,2.7224,-2.2155;2.3337,3.4472,-2.8783;3.722,2.43,-2.5767;3.4776,2.3105,.0373;4.4414,2.018,-.3239;3.5768,2.7354,1.0143;2.8391,1.4531,.0845; 0.2798725 0.2009639 0.1651719 -19.25566 -14.57524 -14.47979 -14.47884 -14.46854 -14.44825 -14.44698 -10.41442 -10.41395 -10.40411 -10.39213 -10.39097 -10.39037 -10.38142 -10.38097 -10.33844 -10.33709 -10.32388 -10.31634 -10.31497 -6.87989 -1.14898 -1.13978 -1.06585 -1.02882 -1.02359 -0.99319 -0.98766 -0.97960 -0.93797 -0.84438 -0.81583 -0.81402 -0.79859 -0.79541 -0.79230 -0.74627 -0.72118 -0.68557 -0.65737 -0.65367 -0.62535 -0.62158 -0.60512 -0.59699 -0.57566 -0.57423 -0.57301 -0.56542 -0.55849 -0.55685 -0.53764 -0.52116 -0.50697 -0.49746 -0.49274 -0.48380 -0.46956 -0.45914 -0.45601 -0.45212 -0.44989 -0.44955 -0.43690 -0.43084 -0.42568 -0.41966 -0.41823 -0.40453 -0.40112 -0.39181 -0.33303 -0.32679 -0.27160 -0.05404 -0.02619 -0.02589 -0.00942 0.07922 0.09721 0.10252 0.11547 0.12616 0.13622 0.14214 0.15034 0.15756 0.17219 0.18105 0.18904 0.18958 0.19417 0.19513 0.19703 0.20920 0.21761 0.22008 0.22992 0.24511 0.24942 0.25625 0.27423 0.28025 0.28333 0.29355 0.30150 0.30564 0.30734 0.31167 0.32030 0.36206 0.36481 0.36554 0.38785 0.39468 0.41425 0.41670 0.43003 0.43511 0.45363 0.46268 0.48134 0.48773 0.49283 0.49782 0.51205 0.51490 0.52349 0.52746 0.53239 0.53923 0.54436 0.54903 0.55993 0.57473 0.58547 0.58818 0.60182 0.61330 0.61337 0.61720 0.63176 0.65550 0.66163 0.66652 0.67064 0.67583 0.68179 0.69507 0.70323 0.70811 0.71410 0.71748 0.72487 0.72879 0.73104 0.73451 0.73703 0.74302 0.74751 0.75021 0.75066 0.75343 0.75897 0.76402 0.76757 0.77090 0.78280 0.79305 0.80312 0.80667 0.81759 0.83038 0.83659 0.84852 0.85808 0.88067 0.88491 0.89072 0.89840 0.90280 0.91563 0.93394 0.94986 0.95767 0.96728 0.96969 0.98562 0.98977 1.00161 1.00636 1.01798 1.02729 1.04662 1.06495 1.06925 1.07745 1.10384 1.11449 1.13927 1.15724 1.15746 1.16267 1.17090 1.18150 1.19669 1.20554 1.20660 1.22782 1.24563 1.25291 1.26781 1.27774 1.30078 1.30925 1.31129 1.32265 1.35956 1.36615 1.37394 1.37624 1.37757 1.38293 1.40104 1.43804 1.46719 1.47512 1.50896 1.52787 1.55145 1.56458 1.58506 1.58799 1.61940 1.62683 1.65473 1.66143 1.67915 1.68228 1.69990 1.71047 1.71653 1.72538 1.73062 1.74007 1.74345 1.75361 1.75669 1.76250 1.77700 1.77821 1.78535 1.78828 1.79444 1.79728 1.80356 1.86280 1.87506 1.87730 1.89946 1.90256 1.91379 1.92437 1.93324 1.94439 1.94733 1.95140 1.95973 1.96646 1.99003 1.99307 2.00409 2.01251 2.01299 2.02431 2.04175 2.06145 2.07044 2.08507 2.09387 2.11792 2.12606 2.14167 2.14548 2.15774 2.16431 2.17575 2.19229 2.20921 2.22954 2.23375 2.25154 2.30360 2.30719 2.31342 2.32255 2.34073 2.35295 2.35851 2.36306 2.36535 2.37854 2.41148 2.41514 2.42357 2.45329 2.46225 2.47104 2.49829 2.50788 2.51038 2.51379 2.52110 2.54334 2.57729 2.63553 2.64421 2.66743 2.68541 2.72661 2.73275 2.73932 2.74085 2.75753 2.76010 2.77841 2.78546 2.79936 2.81475 2.82216 2.82918 2.85978 2.87674 2.89794 2.91627 2.92031 2.93303 2.98799 2.99217 2.99606 3.00240 3.02599 3.03008 3.04487 3.05683 3.07043 3.08229 3.13968 3.15108 3.16719 3.18801 3.19693 3.22242 3.23964 3.24964 3.28071 3.36938 3.41835 3.42495 3.56802 3.61456 3.61836 3.70294 3.76287 -19.25564 -14.57524 -14.47980 -14.47885 -14.46457 -14.44824 -14.44698 -10.41442 -10.41395 -10.40411 -10.39213 -10.39096 -10.39036 -10.38142 -10.38097 -10.33844 -10.33710 -10.32375 -10.31622 -10.30478 -6.87988 -1.14898 -1.13975 -1.06585 -1.02360 -1.01899 -0.99319 -0.98766 -0.97960 -0.93797 -0.84436 -0.81582 -0.81286 -0.79859 -0.79230 -0.78066 -0.74626 -0.72118 -0.67158 -0.65736 -0.65367 -0.62535 -0.62158 -0.60511 -0.59699 -0.57566 -0.57420 -0.56446 -0.56088 -0.55838 -0.55056 -0.53762 -0.52116 -0.50697 -0.49639 -0.49268 -0.48379 -0.46693 -0.45348 -0.45212 -0.44988 -0.44954 -0.44851 -0.43689 -0.43083 -0.42568 -0.41966 -0.41818 -0.40452 -0.40112 -0.34273 -0.33301 -0.32667 -0.05399 -0.02725 -0.02603 -0.00940 0.01388 0.07966 0.09720 0.10254 0.11682 0.12616 0.13626 0.14286 0.15033 0.15756 0.17174 0.18343 0.18960 0.19001 0.19443 0.19625 0.19920 0.21173 0.21926 0.22338 0.23097 0.24514 0.24947 0.25621 0.27706 0.28030 0.28346 0.29351 0.30251 0.30658 0.30888 0.32031 0.32330 0.36218 0.36511 0.36556 0.38784 0.39485 0.41437 0.41676 0.42980 0.43551 0.45414 0.46298 0.48340 0.48959 0.49374 0.49805 0.51213 0.51541 0.52403 0.52905 0.53408 0.54031 0.54492 0.54904 0.56226 0.57486 0.58548 0.60112 0.61292 0.61373 0.61727 0.62919 0.63194 0.65618 0.66167 0.66654 0.67656 0.68008 0.68181 0.69522 0.70323 0.70898 0.71442 0.72358 0.72498 0.72877 0.73111 0.73654 0.73722 0.74487 0.74844 0.75074 0.75539 0.75855 0.75941 0.76403 0.76764 0.77109 0.78276 0.79409 0.80764 0.81364 0.81789 0.83037 0.84033 0.84853 0.85745 0.88052 0.88965 0.89159 0.89850 0.90287 0.91569 0.93469 0.95013 0.96553 0.96811 0.97615 0.98563 0.99110 1.00190 1.00918 1.01803 1.02743 1.04662 1.06497 1.06923 1.07749 1.10384 1.11449 1.13941 1.15829 1.16077 1.16310 1.17086 1.18154 1.19673 1.20553 1.20671 1.22783 1.24554 1.25290 1.26783 1.28077 1.30163 1.31082 1.31751 1.32742 1.35956 1.36617 1.37540 1.37736 1.37791 1.38298 1.40105 1.43803 1.46719 1.47509 1.50897 1.52788 1.55605 1.56468 1.58793 1.59971 1.62150 1.62942 1.65482 1.66152 1.67914 1.68229 1.69990 1.71048 1.71706 1.72738 1.73091 1.74008 1.75259 1.75572 1.75815 1.76267 1.77806 1.78536 1.78753 1.79186 1.79444 1.79763 1.80361 1.86482 1.87727 1.87817 1.89979 1.90290 1.91384 1.92698 1.93344 1.94534 1.94996 1.95175 1.95978 1.96648 1.99013 1.99316 2.00413 2.01298 2.02430 2.02789 2.04264 2.06178 2.08134 2.08619 2.10536 2.11822 2.12993 2.14183 2.14559 2.15972 2.17561 2.18163 2.19228 2.22049 2.22959 2.23377 2.25157 2.30581 2.31844 2.32199 2.32385 2.34076 2.35299 2.35853 2.36307 2.36537 2.37855 2.41517 2.41913 2.42420 2.45346 2.46838 2.47648 2.49893 2.50996 2.51299 2.51975 2.52340 2.54352 2.57729 2.63553 2.64419 2.66742 2.68541 2.72661 2.73280 2.73936 2.74091 2.75892 2.76944 2.78285 2.78621 2.79942 2.81888 2.82228 2.83573 2.87291 2.87687 2.89795 2.91628 2.93284 2.93336 2.98814 2.99273 2.99729 3.01016 3.02599 3.03096 3.04491 3.05685 3.07045 3.08230 3.13970 3.15108 3.17181 3.19334 3.19693 3.22246 3.25103 3.25860 3.28071 3.36937 3.41835 3.42495 3.56802 3.61456 3.61837 3.70295 3.76288 2-A. 12.9703 -6.8293 1.5950 14.7449 -141.0605 -111.5400 -140.3499 -10.9005 1.1253 -10.2108 -10.0770 19.4435 -9.3664 -10.9005 1.1253 -10.2108 216.6720 -47.6071 1.9598 55.6033 -82.4751 52.5662 100.3516 -21.5953 -19.7286 43.4304 -5360.4991 -3142.3107 -2034.9527 -159.3193 -106.5104 -200.2629 10.6655 -16.8959 -163.0014 -1341.4322 -1367.6431 -865.6510 -135.9782 48.6682 1.6118 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 266.98969999999986 AuxInfo=1/0/N:18,14,16,12,13,4,5,2,3,1,11,8,9,6,7,22,10;29,25,32,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15);(2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.2,7.2,8.3,9.3,10.3,11.4,12.1,13.1,14.2,15.2,17.1;1.3/rA:35nC3C3C3C2C2N2N2N1N1O1B4C3C3C3HC3HC3HHHNHNCHHHC3HHCHHH/rB:s1;s1;s2;s3;s2;s3;s4;s5;s1;s6s7;;;s12;s12;s13;s13;s14s16;s14;s16;s18;s11s12s13;s11;;s24;s25;s25;s25;s24;s29;s29;s24;s32;s32;s32;/rC:2.4632,-.3003,-.5854;1.9543,-1.586,.0265;1.3967,.7592,-.7536;2.8805,-2.7142,-.0238;1.7798,1.926,-1.5449;.7984,-1.7176,.5301;.2262,.6686,-.2758;3.5917,-3.6246,-.0524;2.0362,2.8725,-2.1568;3.5985,-.1474,-.9533;-.0905,-.5013,.6262;-2.0065,-2.1453,.8607;-2.4753,-.1114,-.1852;-3.3248,-2.5453,.7659;-1.2238,-2.7644,1.3014;-3.8144,-.4674,-.3345;-2.056,.8143,-.5726;-4.2477,-1.6913,.1499;-3.6213,-3.518,1.1581;-4.4977,.2273,-.8233;-5.2931,-1.9892,.0486;-1.5969,-.9544,.3832;-.0264,-.0921,1.7848;-1.6724,2.985,1.605;-.4705,2.8717,2.3942;-.0524,3.8723,2.586;-.6997,2.4022,3.3602;.3024,2.2658,1.8877;-2.6776,2.062,1.7421;-2.7289,1.5288,2.6942;-3.6165,2.2884,1.2288;-1.5354,3.6989,.3572;-2.5277,3.8895,-.0761;-1.0439,4.6687,.5277;-.929,3.129,-.372; 0.000000 1.512135 0.000000 1.512731 2.533684 0.000000 2.513239 1.460552 3.846921 0.000000 2.518792 3.851518 1.460921 5.005698 0.000000 2.454550 1.267653 2.853162 2.373829 4.306353 0.000000 2.457448 2.856702 1.267570 4.307188 2.367605 2.582750 0.000000 3.550796 2.615943 4.952488 1.155610 6.026572 3.431976 5.459633 0.000000 3.566230 4.965020 2.616019 6.039305 1.155803 5.460771 3.416357 7.004223 0.000000 1.203160 2.394418 2.389520 2.822768 2.820823 3.536488 3.535196 3.591964 3.606784 0.000000 2.833775 2.391107 2.388491 3.761149 3.755512 1.509561 1.510808 4.875871 4.863178 4.028566 0.000000 5.047220 4.086152 4.756559 4.998872 6.057994 2.856542 3.767607 5.861920 7.115298 6.220871 2.535543 0.000000 4.958289 4.673304 4.009167 5.956860 4.909717 3.715920 2.813268 7.011958 5.757082 6.122271 2.549010 2.334626 0.000000 6.353518 5.416176 5.959996 6.257543 7.168630 4.212002 4.901390 7.047809 8.163003 7.525802 3.828559 1.380824 2.747763 0.000000 4.819385 3.621361 4.848348 4.313233 6.254868 2.404185 4.046655 5.075642 7.373006 5.931916 2.619513 1.090908 3.288525 2.179138 0.000000 6.284900 5.887209 5.369954 7.068667 6.203923 4.856786 4.197686 8.055905 6.978915 7.445619 3.845997 2.740895 1.393694 2.401773 3.829313 0.000000 4.654741 4.711997 3.457976 6.092669 4.110368 3.971648 2.306082 7.202153 4.846913 5.748419 2.651644 3.288784 1.087520 3.832510 4.124479 2.188893 0.000000 6.892891 6.204034 6.219392 7.203229 7.231035 5.060396 5.076007 8.076735 8.101621 8.072400 4.350269 2.394561 2.397884 1.400169 3.408940 1.385786 3.406356 0.000000 7.100329 6.008282 6.865109 6.656972 8.131121 4.813423 5.864000 7.314593 9.156073 8.242839 4.674348 2.140089 3.837019 1.089885 2.517161 3.401694 4.920763 2.178432 0.000000 6.984959 6.755575 5.918796 7.983023 6.543187 5.801928 4.775951 8.992719 7.174072 8.105947 4.696282 3.830263 2.147572 3.404203 4.917572 1.090092 2.523695 2.165804 4.326802 0.000000 7.963411 7.258638 7.276804 8.206013 8.239816 6.116547 6.134508 9.034644 9.067467 9.135535 5.441950 3.389052 3.394289 2.167572 4.327792 2.156214 4.327138 1.091805 2.522604 2.511104 0.000000 4.225057 3.624511 3.631930 4.827997 4.839075 2.518243 2.528267 5.851606 5.856285 5.424974 1.591763 1.346897 1.343550 2.379677 2.063597 2.381068 2.062155 2.761112 3.357148 3.356518 3.852873 0.000000 3.443778 3.040776 3.032101 4.312335 4.292094 2.212891 2.210958 5.379994 5.345934 4.543157 1.230381 2.998475 3.143001 4.235078 2.967952 4.356814 3.240104 4.801001 5.005282 5.186203 5.861087 2.274848 0.000000 5.717945 6.044689 4.465069 7.474109 4.791783 5.419815 3.536608 8.610693 5.283735 6.643785 3.951500 5.194749 3.665643 5.832509 5.774794 4.502068 3.098479 5.533213 6.803383 4.634984 6.346175 4.125190 3.494290 0.000000 5.248554 5.599736 4.225923 6.948276 4.634149 5.113415 3.531012 8.042989 5.195748 6.072775 3.827186 5.466412 4.423979 6.335786 5.790262 5.456869 3.943174 6.334405 7.230721 5.793368 7.237943 4.466813 3.058226 1.442329 0.000000 5.813570 6.353829 4.790064 7.667800 4.920351 6.016465 4.304792 8.743247 5.277935 6.481870 4.792760 6.557986 5.424022 7.430131 6.860606 6.443241 4.831411 7.381622 8.330186 6.683536 8.262004 5.525879 4.044625 2.091476 1.101269 0.000000 5.733793 5.836365 4.900871 7.102601 5.516842 5.217931 4.133183 8.147673 6.176121 6.601696 4.034357 5.351182 4.694783 6.172433 5.586288 5.620241 4.452842 6.296855 6.959380 6.054431 7.165915 4.575444 3.026012 2.089671 1.098258 1.783176 0.000000 4.167779 4.585706 3.231692 5.924540 3.752471 4.237469 2.690205 7.019939 4.442099 4.975872 3.066283 5.083633 4.202754 6.128687 5.289150 5.418156 3.704279 6.275421 7.027005 5.877513 7.266122 4.029939 2.382852 2.120639 1.105073 1.787347 1.786414 0.000000 6.117676 6.140437 4.952368 7.538043 5.539964 5.276029 3.800694 8.652221 6.170758 7.178878 3.808989 4.350713 2.911937 4.753859 5.059777 3.464515 2.701993 4.368937 5.689280 3.641455 5.110908 3.480408 3.416232 1.371474 2.439632 3.298590 2.577935 2.990437 0.000000 6.407809 6.224994 5.431446 7.540259 6.201300 5.259679 4.277048 8.605297 6.931364 7.493360 3.919022 4.169250 3.323500 4.546615 4.757769 3.786330 3.410974 4.375943 5.350322 4.146659 5.094174 3.576106 3.279930 2.103056 2.644538 3.559105 2.307364 3.222140 1.092384 0.000000 6.852477 6.891303 5.603674 8.294923 6.078241 6.002291 4.433281 9.410792 6.614899 7.921607 4.536311 4.731333 3.010178 4.864597 5.591134 3.174547 2.802311 4.171395 5.806838 3.039022 4.743609 3.912758 4.343379 2.099066 3.405224 4.129577 3.614336 3.973952 1.093794 1.874057 0.000000 5.733333 6.341671 4.298002 7.795657 4.213258 5.900359 3.561792 8.949155 4.445186 6.547413 4.449859 5.884716 3.961779 6.508336 6.539259 4.798964 3.075084 6.037647 7.554807 4.713844 6.824190 4.653735 4.322773 1.444078 2.442865 2.682714 3.376082 2.788122 2.429370 3.405136 2.660834 0.000000 6.536341 7.076708 5.065480 8.535809 4.956554 6.547503 4.242431 9.690663 5.117947 7.388999 5.070723 6.129308 4.002763 6.538441 6.918941 4.550288 3.150539 5.844225 7.588822 4.225043 6.497865 4.953861 5.056929 2.091782 3.371967 3.635099 4.166740 3.808186 2.582260 3.645207 2.334886 1.099420 0.000000 6.183048 6.954223 4.783553 8.379242 4.448733 6.646683 4.273098 9.518574 4.463204 6.851313 5.258057 6.889711 5.040461 7.569716 7.475373 5.899015 4.134144 7.131348 8.605907 5.786145 7.912807 5.652055 5.027966 2.095341 2.653634 2.419493 3.644002 3.071830 3.307326 4.170317 3.574275 1.100538 1.781360 0.000000 4.828383 5.541066 3.342252 6.984015 3.187564 5.223704 2.719817 8.133246 3.470443 5.618872 3.857279 5.522597 3.595260 6.263555 6.133444 4.610944 2.582273 5.875460 7.332928 4.621546 6.739289 4.206009 3.980210 2.117073 2.815794 3.173505 3.809301 2.714401 2.943724 3.898943 3.239103 1.106443 1.794919 1.786996 0.000000 C13H14BN6O(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 0 266.98969999999986 AuxInfo=1/0/N:18,14,16,12,13,4,5,2,3,1,11,8,9,6,7,22,10;29,25,32,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15);(2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.2,7.2,8.3,9.3,10.3,11.4,12.1,13.1,14.2,15.2,17.1;1.3/rA:35nC3C3C3C2C2N2N2N1N1O1B4C3C3C3HC3HC3HHHNHNCHHHC3HHCHHH/rB:s1;s1;s2;s3;s2;s3;s4;s5;s1;s6s7;;;s12;s12;s13;s13;s14s16;s14;s16;s18;s11s12s13;s11;;s24;s25;s25;s25;s24;s29;s29;s24;s32;s32;s32;/rC:-2.808,.4509,.1183;-2.5736,-.9574,-.38;-1.5447,1.1647,.5462;-3.776,-1.7658,-.564;-1.7375,2.4324,1.2462;-1.4245,-1.4435,-.6042;-.3758,.7148,.351;-4.71,-2.4292,-.7157;-1.8367,3.4434,1.7974;-3.901,.9443,.2157;-.2205,-.5425,-.4721;1.1306,-2.6798,-.2832;1.9256,-.8157,.8759;2.2165,-3.4378,.1078;.3217,-3.0688,-.9033;3.0315,-1.5348,1.3255;1.7199,.2107,1.1707;3.1849,-2.8554,.9346;2.2956,-4.4739,-.2209;3.7594,-1.0422,1.9704;4.0459,-3.4367,1.2705;.9911,-1.3979,.1059;.1018,-.1939,-1.6072;2.4921,2.2818,-1.0008;1.5208,2.479,-2.0487;1.469,3.5461,-2.3157;1.8146,1.913,-2.9429;.5107,2.1496,-1.7449;3.1863,1.102,-.9165;3.293,.5273,-1.8393;4.0089,1.0744,-.196;2.2919,3.0696,.1928;3.1716,2.9881,.8472;2.1581,4.1296,-.071;1.3967,2.7383,.7524; 0.3503431 0.2487769 0.1687169 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= 383 383 383 383 383 MxSgAt= 35 MxSgA2= 35. 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= 382 382 382 382 382 MxSgAt= 35 MxSgA2= 35. 1 0.7534 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 C C C C C N N N N O B C C C H C H C H H H N H N C H H H C H H C H H H 13 13 13 13 13 14 14 14 14 17 11 13 13 13 1 13 1 13 1 1 1 14 1 14 13 1 1 1 13 1 1 13 1 1 1 -0.00011 0.00013 0.00006 -0.00008 -0.00005 -0.00032 -0.00017 0.00005 0.00003 0.00029 0.00014 0.00003 0.00007 -0.00001 -0.00000 0.00001 0.00001 0.00003 -0.00000 -0.00000 -0.00000 -0.00015 -0.00015 0.07611 0.01708 -0.00049 0.00096 0.00184 0.33953 0.00003 0.00044 0.01843 0.00097 -0.00050 0.00176 -0.12197 0.14740 0.06248 -0.08918 -0.05164 -0.10429 -0.05374 0.01650 0.00849 -0.17380 0.19542 0.03297 0.08330 -0.01580 -0.00820 0.01423 0.03973 0.03734 -0.00066 -0.00035 -0.01250 -0.04972 -0.67864 24.59112 19.19641 -2.18745 4.28941 8.23865 381.70077 0.13863 1.95546 20.71706 4.33516 -2.24053 7.84846 -0.04352 0.05260 0.02229 -0.03182 -0.01843 -0.03721 -0.01918 0.00589 0.00303 -0.06202 0.06973 0.01176 0.02973 -0.00564 -0.00292 0.00508 0.01418 0.01332 -0.00024 -0.00013 -0.00446 -0.01774 -0.24216 8.77472 6.84976 -0.78054 1.53057 2.93975 136.20033 0.04947 0.69776 7.39236 1.54689 -0.79948 2.80053 -0.04069 0.04917 0.02084 -0.02975 -0.01722 -0.03479 -0.01793 0.00550 0.00283 -0.05797 0.06518 0.01100 0.02779 -0.00527 -0.00273 0.00475 0.01325 0.01246 -0.00022 -0.00012 -0.00417 -0.01659 -0.22637 8.20272 6.40323 -0.72966 1.43079 2.74812 127.32167 0.04624 0.65227 6.91047 1.44605 -0.74736 2.61796 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 0.000787 0.000549 0.000461 0.000605 0.000325 0.000383 0.000328 0.000368 0.000181 -0.000100 -0.000070 -0.000778 -0.000833 -0.000700 -0.000520 -0.000724 -0.000701 -0.000646 -0.000546 -0.000522 -0.000360 -0.000738 0.000405 0.000152 0.005364 -0.001376 0.002815 0.005449 0.034301 -0.007356 0.046504 -0.003401 0.004108 -0.004168 -0.009091 -0.000424 0.000161 -0.000286 -0.000188 -0.000444 -0.000098 0.000076 0.000049 -0.000265 0.000938 0.000670 0.001527 0.000674 0.001270 0.001320 0.000701 0.000155 0.001007 0.001074 0.000312 0.000636 0.001135 0.000542 0.271065 -0.004551 -0.002222 0.002767 -0.007981 0.382918 0.016553 -0.005487 -0.007814 -0.003297 -0.004686 0.000078 -0.000363 -0.000709 -0.000175 -0.000418 0.000119 -0.000285 -0.000404 -0.000417 0.000084 -0.000838 -0.000600 -0.000750 0.000158 -0.000570 -0.000800 0.000023 0.000546 -0.000361 -0.000528 0.000210 -0.000276 -0.000397 -0.000948 -0.271217 -0.000813 0.003598 -0.005582 0.002533 -0.417219 -0.009197 -0.041017 0.011215 -0.000811 0.008854 0.009013 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 0.000365 0.001288 0.000753 0.000578 0.000184 0.000570 0.000958 0.000624 0.000193 0.001825 0.001591 0.000674 0.000375 0.000016 0.000854 -0.000079 0.000399 -0.000104 -0.000061 -0.000168 -0.000314 0.001095 0.002692 0.379590 -0.014734 -0.002938 -0.009092 -0.000784 0.593355 -0.011419 -0.016108 -0.009664 -0.005418 -0.000224 -0.000838 -0.000410 -0.000526 -0.000916 0.000088 -0.000667 -0.000295 -0.000683 -0.000033 -0.000582 -0.001247 -0.000985 -0.000193 -0.000296 0.000004 -0.000084 0.000067 -0.000452 0.000039 0.000006 0.000168 0.000127 -0.000559 -0.001769 0.059147 -0.010831 -0.006441 -0.002336 -0.010674 -0.041369 0.032616 -0.034775 0.016392 0.008805 0.005291 0.002733 -0.000106 -0.000576 -0.000515 0.000076 -0.000126 -0.000212 -0.000518 -0.000150 -0.000174 -0.001791 -0.001227 -0.000683 -0.001274 -0.000466 -0.000226 -0.001005 -0.001148 -0.000775 -0.000142 -0.000794 -0.000451 -0.001214 -0.001773 0.078946 0.011984 0.005763 0.004235 0.003002 -0.058843 -0.046000 0.010905 -0.007670 -0.002932 -0.002646 -0.009211 -0.321 0.9245 -0.2055 0.2184 0.2834 0.9338 0.9216 0.2548 -0.2929 -5.0E-4 -5.0E-4 0.001 -0.071 -0.066 0.137 -0.025 -0.023 0.049 -0.024 -0.022 0.046 1 C 13 -0.3277 0.6731 0.663 0.6116 -0.3838 0.6918 0.7201 0.6322 -0.2859 -0.001 -9.0E-4 0.0019 -0.139 -0.115 0.253 -0.05 -0.041 0.09 -0.046 -0.038 0.085 2 C 13 0.6274 -0.1443 0.7652 -0.2639 0.8851 0.3834 0.7326 0.4425 -0.5172 -8.0E-4 -7.0E-4 0.0016 -0.111 -0.098 0.21 -0.04 -0.035 0.075 -0.037 -0.033 0.07 3 C 13 -0.415 0.8455 -0.3359 -0.228 0.2608 0.9381 0.8808 0.4659 0.0846 -5.0E-4 -4.0E-4 9.0E-4 -0.067 -0.056 0.123 -0.024 -0.02 0.044 -0.022 -0.019 0.041 4 C 13 -0.4313 0.8531 -0.2938 0.4994 0.4969 0.7097 0.7514 0.1594 -0.6403 -5.0E-4 -4.0E-4 9.0E-4 -0.066 -0.059 0.125 -0.024 -0.021 0.045 -0.022 -0.02 0.042 5 C 13 -0.5089 0.8474 0.1517 0.3338 0.0318 0.9421 0.7935 0.5301 -0.299 -5.0E-4 -4.0E-4 9.0E-4 -0.018 -0.015 0.034 -0.007 -0.005 0.012 -0.006 -0.005 0.011 6 N 14 0.6557 -0.2967 0.6943 -0.2942 0.7465 0.5969 0.6954 0.5956 -0.4022 -8.0E-4 -7.0E-4 0.0015 -0.032 -0.028 0.06 -0.011 -0.01 0.021 -0.011 -0.009 0.02 7 N 14 -0.3957 0.6052 0.6908 0.4815 -0.5038 0.7172 0.7821 0.6164 -0.092 -5.0E-4 -3.0E-4 9.0E-4 -0.02 -0.013 0.033 -0.007 -0.005 0.012 -0.007 -0.004 0.011 8 N 14 0.6803 -0.0212 0.7326 -0.1628 0.9702 0.1792 0.7146 0.2412 -0.6566 -5.0E-4 -3.0E-4 8.0E-4 -0.017 -0.013 0.03 -0.006 -0.005 0.011 -0.006 -0.004 0.01 9 N 14 0.1486 0.45 0.8806 0.8346 -0.5348 0.1324 0.5305 0.7152 -0.455 -0.002 -0.0015 0.0034 0.142 0.106 -0.248 0.051 0.038 -0.089 0.047 0.035 -0.083 10 O 17 0.4918 0.135 0.8602 -0.6654 0.6954 0.2713 0.5616 0.7058 -0.4318 -0.0014 -0.0013 0.0027 -0.232 -0.228 0.46 -0.083 -0.081 0.164 -0.077 -0.076 0.153 11 B 11 0.9429 -0.1779 0.2818 -0.2166 0.3153 0.9239 0.2532 0.9322 -0.2587 -0.001 -9.0E-4 0.0019 -0.129 -0.126 0.255 -0.046 -0.045 0.091 -0.043 -0.042 0.085 12 C 13 0.9632 -0.2645 -0.0479 0.2012 0.591 0.7812 0.1783 0.762 -0.6225 -9.0E-4 -9.0E-4 0.0018 -0.124 -0.118 0.242 -0.044 -0.042 0.086 -0.041 -0.039 0.081 13 C 13 0.941 -0.0851 -0.3276 0.3384 0.2162 0.9158 0.0071 0.9726 -0.2322 -7.0E-4 -7.0E-4 0.0014 -0.094 -0.091 0.185 -0.034 -0.032 0.066 -0.031 -0.03 0.062 14 C 13 0.9178 -0.374 -0.1335 0.1598 0.0403 0.9863 0.3635 0.9265 -0.0968 -9.0E-4 -8.0E-4 0.0017 -0.456 -0.439 0.895 -0.163 -0.157 0.319 -0.152 -0.146 0.299 15 H 1 0.9685 -0.1047 -0.2258 0.2442 0.5752 0.7807 -0.0482 0.8113 -0.5826 -7.0E-4 -7.0E-4 0.0014 -0.098 -0.093 0.192 -0.035 -0.033 0.068 -0.033 -0.031 0.064 16 C 13 0.9311 -0.3649 0.0017 0.2688 0.6892 0.6729 -0.2467 -0.6261 0.7397 -9.0E-4 -8.0E-4 0.0017 -0.458 -0.432 0.89 -0.163 -0.154 0.318 -0.153 -0.144 0.297 17 H 1 0.115 0.4142 0.9029 0.9918 0.0028 -0.1277 -0.0554 0.9102 -0.4105 -7.0E-4 -7.0E-4 0.0014 -0.096 -0.087 0.183 -0.034 -0.031 0.065 -0.032 -0.029 0.061 18 C 13 0.9932 0.0272 -0.1128 0.1099 0.0909 0.9898 -0.0372 0.9955 -0.0873 -5.0E-4 -5.0E-4 0.0011 -0.293 -0.288 0.581 -0.104 -0.103 0.207 -0.098 -0.096 0.194 19 H 1 0.9457 -0.0994 -0.3095 0.2906 0.6855 0.6676 -0.1458 0.7212 -0.6772 -6.0E-4 -5.0E-4 0.0011 -0.299 -0.284 0.583 -0.107 -0.101 0.208 -0.1 -0.095 0.194 20 H 1 0.1595 0.4136 0.8964 0.9531 0.1722 -0.249 -0.2574 0.894 -0.3667 -5.0E-4 -4.0E-4 9.0E-4 -0.246 -0.24 0.486 -0.088 -0.086 0.174 -0.082 -0.08 0.162 21 H 1 0.9084 -0.4181 7.0E-4 0.185 0.4034 0.8961 0.3749 0.8139 -0.4438 -0.0012 -0.0011 0.0023 -0.048 -0.041 0.089 -0.017 -0.015 0.032 -0.016 -0.014 0.03 22 N 14 0.7683 -0.5936 0.2397 0.0989 0.4799 0.8717 0.6324 0.646 -0.4274 -0.0022 -0.0021 0.0044 -1.188 -1.134 2.321 -0.424 -0.404 0.828 -0.396 -0.378 0.774 23 H 1 -0.2092 0.004 0.9779 0.7928 -0.5846 0.1721 0.5724 0.8113 0.1191 -0.2835 -0.2669 0.5505 -10.936 -10.295 21.231 -3.902 -3.673 7.576 -3.648 -3.434 7.082 24 N 14 0.3781 0.8435 -0.3815 0.6404 0.0592 0.7657 0.6685 -0.5339 -0.5178 -0.0166 -0.0089 0.0255 -2.224 -1.201 3.425 -0.794 -0.428 1.222 -0.742 -0.4 1.142 25 C 13 0.5317 -0.5366 0.6552 0.6897 0.7233 0.0327 -0.4915 0.4345 0.7547 -0.0063 -0.0048 0.0111 -3.387 -2.541 5.928 -1.209 -0.907 2.115 -1.13 -0.848 1.977 26 H 1 -0.3329 -0.5813 0.7425 0.6587 0.4201 0.6242 -0.6747 0.6969 0.2431 -0.0079 -0.0052 0.013 -4.188 -2.773 6.961 -1.495 -0.989 2.484 -1.397 -0.925 2.322 27 H 1 -0.296 0.8299 -0.473 0.6005 0.5468 0.5835 0.7429 -0.1113 -0.6601 -0.0094 -0.0056 0.0151 -5.022 -3.009 8.031 -1.792 -1.074 2.866 -1.675 -1.004 2.679 28 H 1 -0.1074 0.151 0.9827 0.7942 -0.5816 0.1762 0.5982 0.7993 -0.0575 -0.4217 -0.4094 0.8312 -56.594 -54.942 111.536 -20.194 -19.605 39.799 -18.878 -18.327 37.204 29 C 13 -0.4424 0.4403 0.7813 0.8072 0.575 0.133 -0.3907 0.6895 -0.6098 -0.0536 -0.0101 0.0637 -28.593 -5.398 33.991 -10.203 -1.926 12.129 -9.538 -1.801 11.338 30 H 1 0.31 -0.11 0.9443 0.2843 0.9586 0.0183 0.9072 -0.2628 -0.3285 -0.0537 -0.0101 0.0638 -28.654 -5.365 34.019 -10.224 -1.914 12.139 -9.558 -1.79 11.347 31 H 1 0.7664 0.5726 -0.2912 -0.3467 0.7503 0.5629 0.5408 -0.3305 0.7735 -0.0168 -0.0091 0.026 -2.261 -1.222 3.482 -0.807 -0.436 1.243 -0.754 -0.407 1.162 32 C 13 -0.6531 -0.3433 0.675 0.0459 0.8718 0.4878 0.7559 -0.3496 0.5536 -0.0078 -0.0052 0.0131 -4.183 -2.787 6.97 -1.493 -0.994 2.487 -1.395 -0.93 2.325 33 H 1 0.8145 -0.4539 -0.3615 0.4811 0.8765 -0.0166 0.3244 -0.1604 0.9322 -0.0064 -0.0048 0.0111 -3.41 -2.539 5.949 -1.217 -0.906 2.123 -1.137 -0.847 1.984 34 H 1 5.10291182e+00 -2.68687162e+00 6.27522205e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 6 6 6 6 6 7 7 7 7 8 5 6 6 6 1 6 1 6 1 1 1 7 1 7 6 1 1 1 6 1 1 6 1 1 1 0.035371277 0.000114748 -0.003773071 -0.019011773 -0.015227261 0.008086943 -0.021132690 0.005365043 -0.012917134 -0.000309969 0.001492969 0.003776601 -0.000604832 0.003759315 0.001511491 0.048518534 -0.030436349 0.002589202 0.043693463 0.007757543 -0.035921165 -0.000461620 0.000248187 -0.001290917 -0.000319670 -0.001179880 0.000321624 -0.028244620 -0.002522234 0.000653754 -0.037140033 0.022820452 0.026677141 0.001975682 0.002687524 -0.003717718 0.002403263 -0.003319741 0.002467009 -0.001621680 0.001669074 0.000238710 -0.000983367 -0.000485814 -0.000220654 -0.001229814 0.000424061 0.001822803 -0.001035449 -0.000425588 -0.000429578 -0.000221223 -0.000213903 0.000044192 -0.000045511 0.000007506 0.000019998 -0.000076805 -0.000016611 -0.000034650 0.000101867 -0.000114412 -0.000122763 -0.015912812 -0.020970390 -0.018626016 -0.004065413 0.029923928 0.029966668 0.009525222 -0.054808237 0.015327134 -0.027439609 0.005798589 0.012713528 0.001180804 0.014470250 -0.015368868 0.014042548 0.006621109 0.013109110 0.011101719 -0.020164463 -0.010684925 -0.007542702 0.056250619 -0.034886846 0.021400193 -0.003066106 0.012621400 -0.020956275 -0.013172170 0.005123514 0.016596105 0.017141168 0.022071665 -0.019421642 -0.001513419 0.007214670 -0.002101546 0.013770968 -0.016130630 0.003968376 -0.022686474 -0.012232222 0.056250619 0.016785768 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7534 0.7535 0.7536 0.7536 0.7536 0.7537 0.7538 0.7540 0.7539 0.7538 0.7538 0.7538 0.7540 0.7541 0.7543 0.7545 0.7547 0.7545 0.7545 0.7546 0.7546 0.7546 0.7546 0.7545 0.7542 0.7545 0.7543 0.7549 0.7544 0.7546 0.7545 0.7546 0.7545 0.7545 0.7546 0.7546 0.7545 0.7544 0.7544 0.7545 0.7545 0.7546 0.7545 0.7545 0.7546 0.7546 0.7546 0.7546 0.7546 open 1 1 1 -931.316490830731 -931.316492363954 -0.000001533223 -931.316492468472 -0.000000104518 -931.316492472464 -0.000000003992 -931.316492476697 -0.000000004233 -931.316492476946 -0.000000000248 -931.316492476993 -0.000000000047 -931.316492477012 -0.000000000019 -931.316492477034 -0.000000000022 -931.316492477030 0.000000000004 -931.316492477 10 0.7546 9.219972964509e+02 -5.233366667406e+03 1.844401323430e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572558032 LenY= 1572409366 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. 0.7546 (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 C C C C C N N N N O B C C C H C H C H H H N H N C H H H C H H C H H H 13 13 13 13 13 14 14 14 14 17 11 13 13 13 1 13 1 13 1 1 1 14 1 14 13 1 1 1 13 1 1 13 1 1 1 -0.00009 0.00029 -0.00002 -0.00018 -0.00008 -0.00019 0.00373 0.00014 0.00019 0.00003 -0.00006 -0.00460 0.00748 0.00591 0.00014 0.00455 0.00136 -0.00122 -0.00058 -0.00034 -0.00008 0.01575 0.00005 0.08963 -0.01113 0.00233 0.00084 0.00614 0.16315 -0.00580 -0.00350 -0.00655 0.00142 0.00116 0.00624 -0.10028 0.32085 -0.01822 -0.19968 -0.09480 -0.06110 1.20438 0.04653 0.06218 -0.01881 -0.08873 -5.17490 8.40900 6.64212 0.62849 5.11431 6.06090 -1.37649 -2.57608 -1.51769 -0.33907 5.08903 0.23026 28.95871 -12.51543 10.40014 3.77015 27.43142 183.41465 -25.90406 -15.65732 -7.36456 6.34352 5.20567 27.90418 -0.03578 0.11449 -0.00650 -0.07125 -0.03383 -0.02180 0.42975 0.01660 0.02219 -0.00671 -0.03166 -1.84653 3.00054 2.37008 0.22426 1.82491 2.16268 -0.49116 -0.91921 -0.54155 -0.12099 1.81589 0.08216 10.33319 -4.46582 3.71103 1.34528 9.78821 65.44691 -9.24321 -5.58692 -2.62786 2.26353 1.85751 9.95691 -0.03345 0.10702 -0.00608 -0.06661 -0.03162 -0.02038 0.40174 0.01552 0.02074 -0.00627 -0.02960 -1.72616 2.80494 2.21557 0.20964 1.70595 2.02170 -0.45915 -0.85929 -0.50625 -0.11310 1.69752 0.07681 9.65959 -4.17470 3.46911 1.25759 9.15014 61.18054 -8.64066 -5.22272 -2.45655 2.11597 1.73642 9.30783 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 0.001364 0.000199 0.001800 0.000808 0.001289 0.002791 0.005151 -0.000228 0.001260 0.000666 0.003811 -0.000121 -0.001462 -0.005683 -0.000132 -0.008172 -0.003904 -0.002656 -0.002705 -0.002242 -0.000566 -0.007344 0.003821 0.133577 0.001028 -0.000387 -0.002638 0.007040 0.096223 -0.027221 0.022874 -0.012244 -0.006453 -0.004788 -0.001447 -0.000658 -0.001162 -0.000876 -0.000136 -0.000724 0.001060 -0.002698 -0.000617 -0.000747 -0.000867 -0.001355 0.007764 0.000598 -0.011830 0.001672 -0.005047 -0.001380 0.001859 0.004039 -0.000351 0.001510 -0.038057 -0.001134 0.054905 -0.003930 0.000101 -0.005394 -0.004044 0.013073 -0.003662 -0.033715 0.004863 0.000827 0.007537 -0.001223 -0.000705 0.000963 -0.000924 -0.000672 -0.000565 -0.003851 -0.002453 0.000845 -0.000514 0.000201 -0.002457 -0.007643 0.000864 0.017513 -0.001540 0.013219 0.005284 0.000798 -0.001334 0.002593 -0.000944 0.045400 -0.002687 -0.188482 0.002902 0.000286 0.008032 -0.002996 -0.109296 0.030884 0.010841 0.007381 0.005626 -0.002749 0.002671 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 0.000178 0.000565 -0.000222 0.000521 -0.000514 0.001802 0.000546 0.000161 -0.000857 -0.000066 0.002062 -0.002228 -0.006416 0.009483 0.001008 0.005519 0.004766 0.002090 -0.000111 0.000305 -0.001289 0.029304 0.003264 0.458146 -0.005409 -0.005396 -0.000733 -0.002988 0.415026 0.014545 0.013785 -0.004986 0.001792 -0.002896 -0.004375 -0.000274 0.000235 -0.000841 0.000092 -0.001192 -0.000139 -0.002147 0.000047 -0.000482 -0.000052 -0.000436 0.006234 0.001494 -0.024997 0.000347 -0.013565 -0.008853 -0.002521 -0.001331 0.002302 0.000393 -0.070658 0.002872 -0.301325 0.013424 0.005272 0.007750 0.005969 -0.337815 -0.019793 0.033971 -0.002302 0.002473 -0.001903 -0.005916 0.000020 -0.000946 -0.000729 0.000093 0.000279 -0.000330 -0.000410 -0.000280 0.000242 0.000120 -0.000887 0.004095 0.011338 -0.014843 0.000318 -0.015140 -0.007731 -0.004620 0.000682 -0.002603 -0.001269 -0.039740 0.000190 -0.277948 -0.003823 -0.006333 -0.001961 -0.001078 -0.304267 0.032370 -0.015820 0.013805 0.008466 0.006654 0.005470 0.1508 -0.4339 0.8882 -0.0192 0.897 0.4415 0.9884 0.0837 -0.127 -8.0E-4 -7.0E-4 0.0014 -0.102 -0.088 0.19 -0.036 -0.031 0.068 -0.034 -0.029 0.063 1 C 13 -0.304 0.8897 0.3406 0.9525 0.2908 0.0905 0.0185 -0.3519 0.9358 -0.0017 4.0E-4 0.0013 -0.23 0.053 0.178 -0.082 0.019 0.063 -0.077 0.018 0.059 2 C 13 0.2126 0.6383 0.7398 -0.1695 0.7697 -0.6154 0.9623 -0.0055 -0.2718 -0.0018 -2.0E-4 0.002 -0.241 -0.033 0.274 -0.086 -0.012 0.098 -0.08 -0.011 0.091 3 C 13 -0.0043 -0.1623 0.9867 -0.4127 0.8991 0.1461 0.9109 0.4066 0.0709 -7.0E-4 -4.0E-4 0.001 -0.092 -0.048 0.141 -0.033 -0.017 0.05 -0.031 -0.016 0.047 4 C 13 0.4244 -0.0781 0.9021 0.2229 0.9746 -0.0205 0.8776 -0.2098 -0.4311 -0.0012 -8.0E-4 0.002 -0.154 -0.114 0.268 -0.055 -0.041 0.096 -0.051 -0.038 0.089 5 C 13 0.0031 0.0656 0.9978 -0.535 0.8431 -0.0538 0.8448 0.5337 -0.0377 -0.0039 -1.0E-4 0.0039 -0.149 -0.002 0.152 -0.053 -0.001 0.054 -0.05 -0.001 0.051 6 N 14 0.1824 0.5148 0.8377 -0.1941 0.8541 -0.4826 0.9639 0.0746 -0.2557 -0.0032 -0.0026 0.0058 -0.122 -0.1 0.222 -0.044 -0.036 0.079 -0.041 -0.033 0.074 7 N 14 -0.3192 0.9312 0.1759 0.9476 0.3166 0.0434 0.0152 -0.1805 0.9835 -7.0E-4 -2.0E-4 9.0E-4 -0.028 -0.007 0.035 -0.01 -0.002 0.012 -0.009 -0.002 0.012 8 N 14 0.3176 0.9388 -0.1335 0.2659 0.047 0.9628 0.9101 -0.3414 -0.2347 -0.0011 -6.0E-4 0.0017 -0.041 -0.024 0.066 -0.015 -0.009 0.023 -0.014 -0.008 0.022 9 N 14 0.0386 0.9934 -0.1084 0.1271 0.1027 0.9866 0.9911 -0.0518 -0.1223 -9.0E-4 2.0E-4 7.0E-4 0.064 -0.015 -0.049 0.023 -0.005 -0.017 0.021 -0.005 -0.016 10 O 17 -0.1233 0.5791 0.8059 -0.3309 0.7416 -0.5836 0.9356 0.3386 -0.1003 -0.003 -0.0016 0.0046 -0.518 -0.27 0.788 -0.185 -0.096 0.281 -0.173 -0.09 0.263 11 B 11 -0.4779 -0.2268 0.8486 0.8727 -0.0125 0.4881 -0.1001 0.9739 0.2039 -0.0122 0.0034 0.0089 -1.644 0.456 1.188 -0.586 0.163 0.424 -0.548 0.152 0.396 12 C 13 0.4399 0.6792 -0.5875 0.8614 -0.1341 0.4899 -0.254 0.7216 0.6441 -0.0134 4.0E-4 0.013 -1.793 0.052 1.741 -0.64 0.019 0.621 -0.598 0.017 0.581 13 C 13 0.8431 -0.0014 0.5377 -0.1734 0.9459 0.2743 -0.509 -0.3245 0.7973 -0.0216 -0.0179 0.0395 -2.904 -2.398 5.302 -1.036 -0.856 1.892 -0.969 -0.8 1.769 14 C 13 -0.2065 -0.0311 0.978 0.8872 -0.4274 0.1738 0.4125 0.9035 0.1158 -0.0016 -5.0E-4 0.0022 -0.866 -0.293 1.16 -0.309 -0.105 0.414 -0.289 -0.098 0.387 15 H 1 0.7007 0.4402 0.5615 -0.6062 0.7823 0.1431 -0.3763 -0.4407 0.815 -0.0156 -0.0121 0.0277 -2.09 -1.623 3.713 -0.746 -0.579 1.325 -0.697 -0.541 1.238 16 C 13 0.8581 -0.0153 0.5133 -0.2313 0.8809 0.4128 -0.4585 -0.473 0.7524 -0.0093 -0.0063 0.0155 -4.954 -3.337 8.291 -1.768 -1.191 2.958 -1.652 -1.113 2.765 17 H 1 0.7972 0.1711 0.579 -0.5139 0.6955 0.5021 0.3168 0.6979 -0.6424 -0.004 -0.003 0.0071 -0.542 -0.405 0.947 -0.193 -0.145 0.338 -0.181 -0.135 0.316 18 C 13 0.8493 -0.035 0.5267 -0.5262 -0.1358 0.8394 -0.0421 0.9901 0.1338 -0.0035 -6.0E-4 0.0041 -1.881 -0.326 2.207 -0.671 -0.116 0.787 -0.627 -0.109 0.736 19 H 1 0.7837 -0.4205 -0.4571 0.5598 0.7971 0.2265 0.2691 -0.4334 0.8601 -0.0037 -9.0E-4 0.0046 -2.0 -0.468 2.468 -0.714 -0.167 0.881 -0.667 -0.156 0.823 20 H 1 0.2929 0.4718 0.8316 0.8735 0.2217 -0.4334 -0.3889 0.8534 -0.3472 -0.0015 -0.0011 0.0026 -0.814 -0.581 1.395 -0.29 -0.207 0.498 -0.271 -0.194 0.465 21 H 1 0.8128 -0.4291 0.394 0.21 0.8466 0.489 -0.5434 -0.3147 0.7782 -0.0571 -0.0537 0.1108 -2.201 -2.073 4.274 -0.785 -0.74 1.525 -0.734 -0.691 1.426 22 N 14 -0.4519 0.4269 0.7833 -0.1848 0.8142 -0.5504 0.8727 0.3935 0.2891 -0.0042 -0.002 0.0062 -2.262 -1.069 3.331 -0.807 -0.381 1.189 -0.755 -0.357 1.111 23 H 1 0.1661 0.4078 0.8978 0.7205 -0.6718 0.1718 0.6732 0.6184 -0.4054 -0.3705 -0.3654 0.7359 -14.288 -14.093 28.381 -5.098 -5.029 10.127 -4.766 -4.701 9.467 24 N 14 0.7482 0.2089 -0.6297 0.0395 0.9334 0.3566 0.6623 -0.2916 0.6902 -0.0118 -0.0056 0.0174 -1.581 -0.754 2.335 -0.564 -0.269 0.833 -0.527 -0.251 0.779 25 C 13 0.1105 0.7525 0.6493 0.8343 0.2847 -0.4721 0.5401 -0.5939 0.5963 -0.0062 -0.0052 0.0114 -3.284 -2.781 6.065 -1.172 -0.992 2.164 -1.096 -0.928 2.023 26 H 1 0.8512 -0.223 -0.4751 0.2515 0.9679 -0.0038 0.4607 -0.1163 0.8799 -0.0068 -0.0056 0.0123 -3.613 -2.975 6.589 -1.289 -1.062 2.351 -1.205 -0.992 2.198 27 H 1 -0.4531 -0.2373 0.8593 0.0855 0.9479 0.3069 0.8874 -0.2125 0.4092 -0.0058 -0.0047 0.0105 -3.119 -2.487 5.606 -1.113 -0.888 2.001 -1.04 -0.83 1.87 28 H 1 0.7295 -0.6599 0.1802 0.211 0.4676 0.8584 0.6507 0.5881 -0.4804 -0.3626 -0.3581 0.7208 -48.664 -48.056 96.72 -17.364 -17.148 34.512 -16.232 -16.03 32.262 29 C 13 0.7434 -0.5335 0.4034 0.656 0.6994 -0.2837 -0.1308 0.4755 0.8699 -0.0484 -0.0032 0.0516 -25.825 -1.682 27.507 -9.215 -0.6 9.815 -8.614 -0.561 9.175 30 H 1 -0.3666 0.8239 0.4321 -0.5262 -0.5667 0.634 0.7673 0.0051 0.6413 -0.0481 -0.0032 0.0514 -25.688 -1.715 27.403 -9.166 -0.612 9.778 -8.569 -0.572 9.141 31 H 1 0.9334 0.3384 -0.1194 0.325 -0.6559 0.6813 -0.1523 0.6747 0.7222 -0.0138 -0.007 0.0208 -1.846 -0.94 2.786 -0.659 -0.335 0.994 -0.616 -0.314 0.929 32 C 13 0.9863 -0.0603 -0.1534 -0.0437 0.8015 -0.5964 0.1589 0.5949 0.7879 -0.0069 -0.0056 0.0125 -3.707 -2.972 6.679 -1.323 -1.06 2.383 -1.236 -0.991 2.228 33 H 1 0.484 -0.2957 0.8236 0.8504 0.3808 -0.363 -0.2063 0.8761 0.4358 -0.0063 -0.0053 0.0115 -3.338 -2.813 6.151 -1.191 -1.004 2.195 -1.114 -0.938 2.052 34 H 1 PT50846.800S Tue Jul 2 15:18:07 2024 -19.28714 -14.54349 -14.48211 -14.46658 -14.46231 -14.45867 -14.45246 -10.42086 -10.39986 -10.39575 -10.39425 -10.39223 -10.37072 -10.35794 -10.35734 -10.34698 -10.34084 -10.33450 -10.33447 -10.32162 -6.88019 -1.17640 -1.12163 -1.05773 -1.05325 -1.02469 -1.00038 -0.99158 -0.95688 -0.91432 -0.82701 -0.82163 -0.81313 -0.79762 -0.77961 -0.77669 -0.74108 -0.70150 -0.68238 -0.63545 -0.63237 -0.61987 -0.60204 -0.58718 -0.58530 -0.58057 -0.57836 -0.56504 -0.56218 -0.55967 -0.55688 -0.54782 -0.50120 -0.49341 -0.48831 -0.48571 -0.48408 -0.47995 -0.47659 -0.47136 -0.46034 -0.45454 -0.45191 -0.43607 -0.42853 -0.42385 -0.41767 -0.41457 -0.40627 -0.40304 -0.38433 -0.37228 -0.32303 -0.22245 -0.04715 -0.02354 -0.00851 0.01188 0.07423 0.09293 0.10776 0.11880 0.12529 0.14758 0.16139 0.16315 0.16793 0.17335 0.17915 0.18589 0.19059 0.20210 0.20333 0.20814 0.21084 0.21423 0.22315 0.22982 0.24550 0.25332 0.26014 0.27131 0.27971 0.28315 0.30171 0.30963 0.31707 0.32170 0.32538 0.33320 0.34008 0.36084 0.36755 0.38285 0.39805 0.40993 0.41758 0.44625 0.45230 0.46170 0.46684 0.48961 0.50286 0.50869 0.51059 0.51722 0.52693 0.53282 0.53527 0.54157 0.54604 0.55064 0.56177 0.57077 0.57505 0.58199 0.58761 0.59356 0.60294 0.61518 0.62388 0.63424 0.65600 0.66150 0.66820 0.67606 0.68169 0.68837 0.69231 0.69914 0.70817 0.71589 0.72359 0.72535 0.73134 0.73339 0.73543 0.73813 0.74585 0.75330 0.75566 0.76091 0.76612 0.76778 0.77132 0.77669 0.77960 0.79040 0.79347 0.80160 0.80391 0.80670 0.82204 0.84244 0.86080 0.86764 0.87008 0.88955 0.90483 0.91797 0.92538 0.95008 0.95477 0.96213 0.97472 0.99545 0.99815 1.01163 1.02214 1.02898 1.03311 1.04316 1.05869 1.07012 1.10473 1.11124 1.12820 1.14457 1.14900 1.15490 1.16085 1.17098 1.18336 1.19214 1.21248 1.21755 1.22917 1.24673 1.25660 1.26046 1.28544 1.29266 1.29892 1.31848 1.32277 1.32627 1.34872 1.35046 1.35901 1.36885 1.37999 1.39205 1.40928 1.43491 1.46349 1.47432 1.49553 1.52659 1.53948 1.55758 1.56169 1.57933 1.61147 1.61213 1.62515 1.62872 1.65556 1.68360 1.69170 1.69390 1.69923 1.70788 1.71750 1.73547 1.73705 1.74850 1.75521 1.76091 1.76935 1.77417 1.79399 1.79869 1.80324 1.81187 1.82547 1.83058 1.84236 1.85480 1.86688 1.88679 1.89216 1.90015 1.90115 1.91246 1.91716 1.92111 1.93173 1.93711 1.96742 1.97874 1.98647 2.00853 2.01334 2.02125 2.02537 2.03413 2.05518 2.06322 2.07492 2.08431 2.09031 2.10497 2.12200 2.13407 2.14793 2.17069 2.19026 2.19999 2.21730 2.23407 2.23979 2.25924 2.26967 2.33363 2.33904 2.34135 2.34746 2.34820 2.35225 2.36004 2.36298 2.37362 2.38194 2.39122 2.45080 2.45858 2.46713 2.47387 2.48161 2.49516 2.50904 2.51327 2.51742 2.52990 2.57979 2.59636 2.65160 2.65662 2.69039 2.70560 2.71282 2.71940 2.72945 2.73731 2.75193 2.75875 2.76557 2.76876 2.77542 2.78219 2.81603 2.82823 2.87212 2.88173 2.92001 2.93217 2.93627 2.95911 2.96688 2.99093 3.01430 3.02374 3.04361 3.05728 3.06137 3.07086 3.08215 3.11619 3.12878 3.15979 3.17942 3.20001 3.22325 3.28258 3.29794 3.32972 3.34577 3.39382 3.40083 3.54145 3.61359 3.61609 3.71419 3.73686 -19.28714 -14.54259 -14.47650 -14.46656 -14.46232 -14.45867 -14.45245 -10.42086 -10.39985 -10.39573 -10.39434 -10.39240 -10.37070 -10.35766 -10.35691 -10.34699 -10.34085 -10.33477 -10.33469 -10.31373 -6.88019 -1.17640 -1.12030 -1.05766 -1.04025 -1.02466 -1.00036 -0.99156 -0.95583 -0.91383 -0.82693 -0.82009 -0.80050 -0.79727 -0.77886 -0.77625 -0.74100 -0.70080 -0.66949 -0.63499 -0.63218 -0.61975 -0.60112 -0.58522 -0.58042 -0.57700 -0.57208 -0.56457 -0.55902 -0.55647 -0.55085 -0.54730 -0.50057 -0.49204 -0.48794 -0.48393 -0.48225 -0.47895 -0.47284 -0.46733 -0.46028 -0.45450 -0.45120 -0.43560 -0.42840 -0.42148 -0.41664 -0.41392 -0.40354 -0.39417 -0.37211 -0.34924 -0.32284 -0.04711 -0.02564 -0.01028 0.00843 0.05565 0.07444 0.09306 0.10830 0.11885 0.12596 0.14846 0.16287 0.16534 0.16967 0.17416 0.18022 0.18637 0.19137 0.20234 0.20596 0.20909 0.21294 0.21626 0.22568 0.23065 0.24644 0.25467 0.26144 0.27224 0.28007 0.28360 0.30210 0.31005 0.31753 0.32201 0.32711 0.33385 0.34226 0.36197 0.37013 0.38433 0.39879 0.41004 0.41855 0.44669 0.45475 0.46307 0.46731 0.49062 0.50416 0.50909 0.51217 0.52085 0.52749 0.53334 0.53639 0.54200 0.54833 0.55280 0.56505 0.57105 0.57897 0.58424 0.59175 0.59695 0.60530 0.61691 0.62638 0.63485 0.65685 0.66314 0.67114 0.67755 0.68386 0.68890 0.69322 0.69988 0.70842 0.71693 0.72597 0.72644 0.73168 0.73475 0.73736 0.74125 0.74740 0.75370 0.75733 0.76136 0.76628 0.76798 0.77284 0.77835 0.78031 0.79156 0.79524 0.80343 0.80749 0.81086 0.82359 0.84329 0.86115 0.86902 0.87057 0.89002 0.90587 0.91925 0.92636 0.95107 0.95658 0.96688 0.97533 0.99839 1.00297 1.01283 1.02329 1.02939 1.03375 1.04491 1.06111 1.07150 1.10783 1.11233 1.12913 1.14506 1.14944 1.15615 1.16195 1.17400 1.18548 1.19500 1.21341 1.21825 1.23007 1.24820 1.25816 1.26251 1.28680 1.29337 1.30092 1.31956 1.32481 1.33384 1.35001 1.35137 1.36149 1.37054 1.38064 1.39308 1.41072 1.43503 1.46386 1.47504 1.49571 1.52675 1.54244 1.55831 1.56261 1.58090 1.61226 1.61342 1.62867 1.63103 1.65630 1.68477 1.69256 1.69455 1.70109 1.70870 1.71949 1.73637 1.73812 1.74953 1.75719 1.76194 1.77084 1.77880 1.79568 1.80001 1.80375 1.81242 1.82715 1.83171 1.84415 1.85852 1.86919 1.89143 1.89349 1.90305 1.90547 1.91330 1.91981 1.92249 1.93211 1.93823 1.96839 1.97930 1.98868 2.00892 2.01659 2.02215 2.02718 2.03526 2.05570 2.06390 2.08003 2.08956 2.09252 2.10556 2.12225 2.13475 2.14807 2.17115 2.19206 2.20064 2.23825 2.24087 2.24668 2.26330 2.27074 2.33452 2.34118 2.34219 2.34813 2.35225 2.35297 2.36288 2.37243 2.37801 2.38290 2.39270 2.45215 2.45880 2.46769 2.47449 2.48453 2.49578 2.50979 2.51480 2.52013 2.53162 2.58004 2.59704 2.65198 2.65733 2.69830 2.70796 2.71743 2.72226 2.72970 2.73928 2.75261 2.75912 2.76603 2.77151 2.78202 2.78547 2.81614 2.82971 2.87432 2.88764 2.92028 2.93248 2.93982 2.96099 2.96814 2.99264 3.01634 3.03642 3.04382 3.05755 3.06186 3.07096 3.08220 3.12195 3.13546 3.16030 3.17956 3.20017 3.22325 3.29000 3.29815 3.32981 3.35314 3.39411 3.40088 3.54146 3.61360 3.61610 3.71448 3.73692 2-A. 4.27778272e+00 -1.26353558e+00 1.07206447e-02 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 10.8730 -3.2116 0.0272 11.3375 -142.8366 -123.3296 -120.8421 -12.1216 5.9968 -11.7485 -13.8339 5.6732 8.1607 -12.1216 5.9968 -11.7485 211.0882 -58.7858 -11.2910 111.9603 9.5740 39.3584 16.7474 -5.4388 -28.6865 22.2023 -5423.6791 -3235.4381 -778.4634 -386.0511 48.6712 -111.1080 -140.3495 3.1969 -48.3419 -1462.2163 -891.8602 -732.4699 -109.1887 50.9562 16.2984 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|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) 0 2-A -931.3164925 0.75461 0. 0.750017 6.493E-9 4.845E-6 -0.2769043,-2.3071084,2.5840126,12.7045066,8.5750637,4.0755359 C01 [X(C13H14B1N6O1)] -4.3412555 0.0460283 1.0234472 -0.000001955 -0.000004212 0.000001350 0.000004769 -0.000000891 -0.000006028 -0.000001867 0.000003043 0.000006464 -0.000002458 0.000000025 0.000003698 0.000001321 -0.000002466 -0.000002777 -0.000005008 0.000005560 -0.000004576 -0.000000850 0.000007662 -0.000009047 0.000000685 0.000000003 0.000000272 -0.000000088 0.000000557 0.000000556 0.000003235 0.000002397 0.000000987 -0.000014183 -0.000019796 0.000018825 0.000004901 -0.000001623 0.000003062 -0.000006872 -0.000003318 0.000002034 -0.000003711 0.000000257 -0.000002222 -0.000001393 -0.000000549 -0.000000731 0.000002598 0.000003128 -0.000001673 0.000001609 -0.000001981 0.000000808 0.000003220 -0.000003828 0.000002736 0.000000029 0.000000305 0.000000761 -0.000000201 -0.000001348 -0.000000752 -0.000000453 0.000001027 -0.000000569 0.000003518 0.000014335 -0.000004971 0.000010001 0.000004202 -0.000009403 0.000011699 -0.000000001 -0.000007185 -0.000012915 -0.000003972 0.000001087 0.000002063 -0.000001630 0.000000602 0.000000722 -0.000000316 0.000000316 0.000003332 0.000004669 0.000001473 -0.000001898 0.000003341 0.000003937 -0.000000312 -0.000000151 -0.000001434 0.000000605 -0.000001163 0.000000722 0.000002647 -0.000001883 0.000000193 0.000001541 -0.000001458 -0.000000075 -0.000001908 0.000000112 0.000000726 -0.000002425 -0.000000037 0.000000835 266.98969999999986 AuxInfo=1/0/N:18,14,16,12,13,4,5,2,3,1,11,8,9,6,7,22,10;29,25,32,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15);(2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.2,7.2,8.3,9.3,10.3,11.4,12.1,13.1,14.2,15.2,17.1;1.3/rA:35nC3C3C3C2C2N2N2N1N1O1B4C3C3C3HC3HC3HHHNHNCHHHC3HHCHHH/rB:s1;s1;s2;s3;s2;s3;s4;s5;s1;s6s7;;;s12;s12;s13;s13;s14s16;s14;s16;s18;s11s12s13;s11;;s24;s25;s25;s25;s24;s29;s29;s24;s32;s32;s32;/rC:2.4633,-.3003,-.5854;1.9543,-1.586,.0265;1.3967,.7592,-.7536;2.8805,-2.7142,-.0238;1.7798,1.926,-1.5449;.7984,-1.7176,.5301;.2262,.6686,-.2758;3.5917,-3.6246,-.0524;2.0362,2.8725,-2.1568;3.5985,-.1474,-.9533;-.0905,-.5013,.6262;-2.0065,-2.1453,.8607;-2.4753,-.1114,-.1852;-3.3248,-2.5453,.7659;-1.2238,-2.7644,1.3014;-3.8144,-.4674,-.3345;-2.0561,.8143,-.5726;-4.2477,-1.6913,.1499;-3.6213,-3.518,1.1581;-4.4977,.2273,-.8233;-5.2931,-1.9892,.0486;-1.5969,-.9544,.3832;-.0264,-.0921,1.7848;-1.6724,2.985,1.605;-.4705,2.8717,2.3942;-.0524,3.8723,2.586;-.6998,2.4022,3.3602;.3024,2.2658,1.8877;-2.6776,2.062,1.7421;-2.7289,1.5288,2.6942;-3.6165,2.2884,1.2288;-1.5354,3.6989,.3572;-2.5277,3.8895,-.0761;-1.0439,4.6687,.5277;-.929,3.129,-.372; Gaussian 16 GINC-NODO01 BPR coments ES64L-G16RevC.02 99 C1[X(C13H14BN6O)] 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 0 266.98969999999986 AuxInfo=1/0/N:18,14,16,12,13,4,5,2,3,1,11,8,9,6,7,22,10;29,25,32,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15);(2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.2,7.2,8.3,9.3,10.3,11.4,12.1,13.1,14.2,15.2,17.1;1.3/rA:35nC3C3C3C2C2N2N2N1N1O1B4C3C3C3HC3HC3HHHNHNCHHHC3HHCHHH/rB:s1;s1;s2;s3;s2;s3;s4;s5;s1;s6s7;;;s12;s12;s13;s13;s14s16;s14;s16;s18;s11s12s13;s11;;s24;s25;s25;s25;s24;s29;s29;s24;s32;s32;s32;/rC:2.4632,-.3003,-.5854;1.9543,-1.586,.0265;1.3967,.7592,-.7536;2.8805,-2.7142,-.0238;1.7798,1.926,-1.5449;.7984,-1.7176,.5301;.2262,.6686,-.2758;3.5917,-3.6246,-.0524;2.0362,2.8725,-2.1568;3.5985,-.1474,-.9533;-.0905,-.5013,.6262;-2.0065,-2.1453,.8607;-2.4753,-.1114,-.1852;-3.3248,-2.5453,.7659;-1.2238,-2.7644,1.3014;-3.8144,-.4674,-.3345;-2.056,.8143,-.5726;-4.2477,-1.6913,.1499;-3.6213,-3.518,1.1581;-4.4977,.2273,-.8233;-5.2931,-1.9892,.0486;-1.5969,-.9544,.3832;-.0264,-.0921,1.7848;-1.6724,2.985,1.605;-.4705,2.8717,2.3942;-.0524,3.8723,2.586;-.6997,2.4022,3.3602;.3024,2.2658,1.8877;-2.6776,2.062,1.7421;-2.7289,1.5288,2.6942;-3.6165,2.2884,1.2288;-1.5354,3.6989,.3572;-2.5277,3.8895,-.0761;-1.0439,4.6687,.5277;-.929,3.129,-.372; 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 12 12 12 12 12 14 14 14 14 16 11 12 12 12 1 12 1 12 1 1 1 14 1 14 12 1 1 1 12 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 14.0030740 14.0030740 14.0030740 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 2 2 2 2 0 3 0 0 0 1 0 1 0 1 1 1 2 1 2 0 1 1 1 0 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 4.5500000 4.5500000 4.5500000 5.6000000 2.7500000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 1.0000000 4.5500000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "1_p_TMA_2.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 1 1 1 2 2 3 3 4 5 6 7 11 11 12 12 12 13 13 13 14 14 16 16 18 23 24 24 24 25 25 25 29 29 32 32 32 2 3 10 4 6 5 7 8 9 11 11 22 23 14 15 22 16 17 22 18 19 18 20 21 28 25 29 32 26 27 28 30 31 33 34 35 1.5121 1.5127 1.2032 1.4606 1.2677 1.4609 1.2676 1.1556 1.1558 1.5096 1.5108 1.5918 1.2304 1.3808 1.0909 1.3469 1.3937 1.0875 1.3435 1.4002 1.0899 1.3858 1.0901 1.0918 2.3829 1.4423 1.3715 1.4441 1.1013 1.0983 1.1051 1.0924 1.0938 1.0994 1.1005 1.1064 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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 2 2 3 1 1 4 1 1 5 2 3 6 6 6 7 7 22 14 14 15 16 16 17 12 12 18 13 13 18 14 14 16 11 11 12 11 25 25 29 24 24 24 26 26 27 23 24 24 30 24 24 24 33 33 34 1 1 1 2 2 2 3 3 3 6 7 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 16 16 16 18 18 18 22 22 22 23 24 24 24 25 25 25 25 25 25 28 29 29 29 32 32 32 32 32 32 3 10 10 4 6 6 5 7 7 11 11 7 22 23 22 23 23 15 22 22 17 22 22 18 19 19 18 20 20 16 21 21 12 13 13 28 29 32 32 26 27 28 27 28 28 25 30 31 31 33 34 35 34 35 35 113.779 123.3259 122.837 115.4281 123.7755 120.7792 115.7707 123.9904 120.2273 118.5937 118.2967 117.544 108.5526 107.294 109.126 107.0805 106.7276 123.2509 121.4736 115.2645 123.3429 120.878 115.6431 118.8666 119.5726 121.5562 119.2441 119.1787 121.5755 119.1056 120.3717 120.5219 119.0356 120.3099 120.3956 112.1446 120.2082 115.6303 119.2515 109.8972 109.9362 112.0282 108.3304 108.2103 108.3438 117.7677 116.7489 116.2881 118.0139 109.9127 110.1303 111.5239 108.138 108.9184 108.1332 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A56 A57 A58 A59 2 3 2 3 4 5 4 5 8 9 8 9 30 25 30 25 -1 -1 -2 -2 178.7605 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically 177.8591 177.9481 181.7619 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 3 3 10 10 2 2 10 10 1 4 1 5 2 2 2 3 3 3 6 6 7 7 23 23 6 7 22 15 15 22 22 14 14 15 15 17 17 22 22 16 16 17 17 12 12 19 19 13 13 20 20 11 29 29 29 32 32 32 25 25 32 32 25 25 25 29 29 29 24 26 27 1 1 1 1 1 1 1 1 2 2 3 3 6 6 6 7 7 7 11 11 11 11 11 11 11 11 11 12 12 12 12 12 12 12 12 13 13 13 13 13 13 13 13 14 14 14 14 16 16 16 16 23 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 24 25 25 25 2 2 2 2 3 3 3 3 6 6 7 7 11 11 11 11 11 11 22 22 22 22 22 22 23 23 23 14 14 14 14 22 22 22 22 16 16 16 16 22 22 22 22 18 18 18 18 18 18 18 18 28 25 25 25 25 25 25 29 29 29 29 32 32 32 32 32 32 28 28 28 4 6 4 6 5 7 5 7 11 11 11 11 7 22 23 6 22 23 12 13 12 13 12 13 28 28 28 18 19 18 19 11 13 11 13 18 20 18 20 11 12 11 12 16 21 16 21 14 21 14 21 25 26 27 28 26 27 28 30 31 30 31 33 34 35 33 34 35 23 23 23 168.9597 -9.5362 -8.3345 173.1696 -169.8597 8.8974 7.4494 -173.7935 -4.9212 176.6599 6.0734 -175.2221 20.3322 144.7224 -100.287 -20.8905 -144.9934 99.84 36.629 -149.1924 165.876 -19.9453 -78.7302 95.4484 133.3191 6.2813 -110.4788 -178.2985 0.9406 0.4363 179.6755 175.1455 0.972 -6.0244 179.8021 177.623 -2.8322 2.0504 -178.4049 -176.3265 -2.2276 7.7756 -178.1255 -0.5764 179.0992 -179.7998 -0.1242 -0.6273 179.6976 179.8393 0.1642 119.3669 -149.6219 -30.4742 90.0496 55.3574 174.5051 -64.9711 24.4506 171.1306 178.5772 -34.7429 -169.7033 -50.663 69.3958 35.0229 154.0632 -85.878 -73.3052 165.3895 48.139 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00085 0.00093 0.00238 0.00268 0.00440 0.00486 0.00750 0.00946 0.00973 0.01181 0.01312 0.01458 0.01713 0.01737 0.01754 0.02201 0.02325 0.02472 0.02545 0.02603 0.02906 0.03143 0.03256 0.03596 0.04264 0.04662 0.04746 0.05270 0.05443 0.05821 0.06017 0.06233 0.06425 0.06986 0.07356 0.07755 0.09679 0.10553 0.10800 0.11355 0.11635 0.11997 0.12438 0.12743 0.12839 0.13147 0.13317 0.14262 0.15120 0.16177 0.16379 0.17090 0.17240 0.17777 0.18002 0.18641 0.19740 0.20302 0.20482 0.21099 0.21458 0.21557 0.21889 0.22305 0.23412 0.25639 0.27345 0.29210 0.29500 0.30115 0.32491 0.32939 0.33032 0.33924 0.34276 0.34691 0.34697 0.34991 0.35978 0.36611 0.36691 0.37052 0.37141 0.37233 0.37874 0.39268 0.39769 0.43866 0.45849 0.47622 0.50820 0.52467 0.56117 0.64673 0.68285 0.77869 0.93304 1.31087 1.31219 Angle between quadratic step and forces= 69.72 degrees. 1 2 0.00087857 0.00000065 0.00000032 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 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 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 2.85752 2.85865 2.27364 2.76004 2.39552 2.76074 2.39536 2.18379 2.18415 2.85266 2.85501 3.00800 2.32508 2.60938 2.06152 2.54527 2.63370 2.05512 2.53894 2.64594 2.05958 2.61876 2.05997 2.06321 4.50294 2.72561 2.59171 2.72891 2.08110 2.07541 2.08829 2.06431 2.06697 2.07760 2.07972 2.09087 1.98582 2.15244 2.14391 2.01460 2.16029 2.10799 2.02058 2.16404 2.09836 2.06985 2.06467 2.05153 1.89460 1.87263 1.90461 1.86891 1.86275 2.15113 2.12012 2.01174 2.15274 2.10972 2.01835 2.07461 2.08694 2.12156 2.08120 2.08006 2.12189 2.07878 2.10088 2.10350 2.07756 2.09980 2.10130 1.95729 2.09803 2.01813 2.08133 1.91807 1.91875 1.95526 1.89072 1.88863 1.89096 2.05543 2.03765 2.02961 2.05973 1.91834 1.92214 1.94646 1.88736 1.90098 1.88728 3.11996 3.10423 3.10578 3.17234 2.94890 -0.16644 -0.14546 3.02238 -2.96461 0.15529 0.13002 -3.03327 -0.08589 3.08330 0.10600 -3.05820 0.35486 2.52588 -1.75034 -0.36461 -2.53061 1.74254 0.63930 -2.60390 2.89508 -0.34811 -1.37410 1.66589 2.32686 0.10963 -1.92822 -3.11190 0.01642 0.00762 3.13593 3.05687 0.01696 -0.10515 3.13814 3.10011 -0.04943 0.03579 -3.11375 -3.07748 -0.03888 0.13571 -3.10888 -0.01006 3.12587 -3.13810 -0.00217 -0.01095 3.13632 3.13879 0.00287 2.08335 -2.61139 -0.53187 1.57166 0.96617 3.04569 -1.13396 0.42674 2.98679 3.11676 -0.60638 -2.96188 -0.88424 1.21118 0.61126 2.68891 -1.49885 -1.27942 2.88659 0.84018 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00001 -0.00001 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -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 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 -0.00000 -0.00000 0.00000 -0.00001 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 0.00001 -0.00000 -0.00000 -0.00001 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 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 -0.00002 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00006 -0.00010 -0.00003 -0.00001 -0.00000 0.00002 0.00002 -0.00000 0.00001 0.00002 -0.00000 -0.00002 -0.00000 0.00000 -0.00069 -0.00004 -0.00004 -0.00002 0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00002 -0.00001 0.00002 -0.00001 0.00004 -0.00003 -0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00006 -0.00004 0.00005 -0.00006 0.00004 -0.00011 0.00013 -0.00002 0.00001 0.00001 0.00002 -0.00001 -0.00002 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00006 0.00006 -0.00000 0.00063 0.00013 0.00005 0.00008 0.00005 0.00002 0.00000 0.00000 -0.00007 -0.00001 -0.00101 0.00003 0.00002 0.00001 -0.00000 0.00000 -0.00002 -0.00000 -0.00003 0.00006 0.00001 -0.00001 0.00011 0.00001 -0.00012 -0.00024 -0.00017 -0.00030 0.00024 0.00024 0.00030 0.00029 -0.00002 -0.00015 0.00002 0.00002 0.00030 0.00037 0.00052 -0.00029 -0.00037 -0.00048 0.00028 0.00030 0.00030 0.00032 0.00026 0.00028 -0.00005 0.00010 0.00004 0.00008 0.00006 0.00004 0.00001 0.00007 0.00005 0.00003 0.00001 -0.00011 -0.00012 0.00013 0.00012 -0.00015 -0.00014 0.00007 0.00009 -0.00004 -0.00006 -0.00002 -0.00003 -0.00004 -0.00002 -0.00003 -0.00002 -0.00060 0.00154 0.00158 0.00159 0.00089 0.00093 0.00094 -0.00050 -0.00038 0.00017 0.00028 0.00024 0.00024 0.00029 -0.00042 -0.00042 -0.00036 -0.00057 -0.00058 -0.00054 -0.00002 0.00001 0.00000 -0.00001 0.00001 0.00000 0.00000 0.00000 0.00000 -0.00002 0.00006 -0.00010 -0.00003 -0.00001 -0.00000 0.00002 0.00002 -0.00000 0.00001 0.00002 -0.00000 -0.00002 -0.00000 0.00000 -0.00069 -0.00004 -0.00004 -0.00002 0.00002 -0.00001 -0.00000 -0.00001 -0.00001 -0.00001 0.00000 -0.00002 -0.00001 0.00002 -0.00001 0.00004 -0.00003 -0.00000 -0.00002 0.00001 0.00001 0.00000 -0.00006 -0.00004 0.00005 -0.00006 0.00004 -0.00011 0.00013 -0.00002 0.00001 0.00001 0.00002 -0.00001 -0.00002 -0.00001 0.00000 0.00001 0.00000 0.00001 -0.00001 0.00001 0.00001 -0.00001 -0.00006 0.00006 -0.00000 0.00063 0.00013 0.00005 0.00008 0.00005 0.00002 0.00000 0.00000 -0.00007 -0.00001 -0.00101 0.00003 0.00002 0.00001 -0.00000 0.00000 -0.00002 -0.00000 -0.00003 0.00006 0.00001 -0.00001 0.00011 0.00001 -0.00012 -0.00024 -0.00017 -0.00030 0.00024 0.00024 0.00030 0.00029 -0.00002 -0.00015 0.00002 0.00002 0.00030 0.00037 0.00052 -0.00029 -0.00037 -0.00048 0.00028 0.00030 0.00030 0.00032 0.00026 0.00028 -0.00005 0.00010 0.00004 0.00008 0.00006 0.00004 0.00001 0.00007 0.00005 0.00003 0.00001 -0.00011 -0.00012 0.00013 0.00012 -0.00015 -0.00014 0.00007 0.00009 -0.00004 -0.00006 -0.00002 -0.00003 -0.00004 -0.00002 -0.00003 -0.00002 -0.00060 0.00154 0.00158 0.00159 0.00089 0.00093 0.00094 -0.00050 -0.00038 0.00017 0.00028 0.00024 0.00024 0.00029 -0.00042 -0.00042 -0.00036 -0.00057 -0.00058 -0.00054 2.85750 2.85866 2.27365 2.76003 2.39552 2.76074 2.39536 2.18379 2.18415 2.85263 2.85507 3.00790 2.32505 2.60937 2.06151 2.54529 2.63372 2.05511 2.53895 2.64595 2.05958 2.61874 2.05997 2.06321 4.50225 2.72557 2.59167 2.72889 2.08112 2.07539 2.08829 2.06430 2.06696 2.07760 2.07972 2.09086 1.98580 2.15247 2.14390 2.01464 2.16026 2.10799 2.02056 2.16405 2.09837 2.06985 2.06461 2.05149 1.89465 1.87257 1.90465 1.86880 1.86288 2.15112 2.12012 2.01176 2.15276 2.10971 2.01833 2.07461 2.08694 2.12156 2.08120 2.08007 2.12188 2.07879 2.10089 2.10349 2.07750 2.09987 2.10130 1.95792 2.09816 2.01818 2.08141 1.91812 1.91877 1.95526 1.89072 1.88856 1.89095 2.05442 2.03769 2.02964 2.05974 1.91834 1.92214 1.94643 1.88736 1.90096 1.88734 3.11996 3.10422 3.10589 3.17236 2.94878 -0.16668 -0.14564 3.02208 -2.96437 0.15553 0.13032 -3.03297 -0.08591 3.08315 0.10602 -3.05819 0.35516 2.52625 -1.74982 -0.36490 -2.53098 1.74205 0.63958 -2.60360 2.89538 -0.34779 -1.37384 1.66617 2.32680 0.10973 -1.92818 -3.11181 0.01647 0.00765 3.13594 3.05694 0.01702 -0.10511 3.13815 3.09999 -0.04955 0.03592 -3.11363 -3.07763 -0.03902 0.13578 -3.10879 -0.01011 3.12581 -3.13812 -0.00220 -0.01098 3.13629 3.13876 0.00285 2.08275 -2.60986 -0.53029 1.57325 0.96706 3.04662 -1.13302 0.42625 2.98641 3.11693 -0.60609 -2.96164 -0.88400 1.21148 0.61085 2.68849 -1.49922 -1.27999 2.88601 0.83964 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000011 0.000003 0.004229 0.000879 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -2.455073e-08 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 385 A 364 A 364 623 385 74 73 1535.6789648717 35 35 35 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 -0.0274098230 0.000000 1.512135 0.000000 1.512731 2.533684 0.000000 2.513239 1.460552 3.846921 0.000000 2.518792 3.851518 1.460921 5.005698 0.000000 2.454550 1.267653 2.853162 2.373829 4.306353 0.000000 2.457448 2.856702 1.267570 4.307188 2.367605 2.582750 0.000000 3.550796 2.615943 4.952488 1.155610 6.026572 3.431976 5.459633 0.000000 3.566230 4.965020 2.616019 6.039305 1.155803 5.460771 3.416357 7.004223 0.000000 1.203160 2.394418 2.389520 2.822768 2.820823 3.536488 3.535196 3.591964 3.606784 0.000000 2.833775 2.391107 2.388491 3.761149 3.755512 1.509561 1.510808 4.875871 4.863178 4.028566 0.000000 5.047220 4.086152 4.756559 4.998872 6.057994 2.856542 3.767607 5.861920 7.115298 6.220871 2.535543 0.000000 4.958289 4.673304 4.009167 5.956860 4.909717 3.715920 2.813268 7.011958 5.757082 6.122271 2.549010 2.334626 0.000000 6.353518 5.416176 5.959996 6.257543 7.168630 4.212002 4.901390 7.047809 8.163003 7.525802 3.828559 1.380824 2.747763 0.000000 4.819385 3.621361 4.848348 4.313233 6.254868 2.404185 4.046655 5.075642 7.373006 5.931916 2.619513 1.090908 3.288525 2.179138 0.000000 6.284900 5.887209 5.369954 7.068667 6.203923 4.856786 4.197686 8.055905 6.978915 7.445619 3.845997 2.740895 1.393694 2.401773 3.829313 0.000000 4.654741 4.711997 3.457976 6.092669 4.110368 3.971648 2.306082 7.202153 4.846913 5.748419 2.651644 3.288784 1.087520 3.832510 4.124479 2.188893 0.000000 6.892891 6.204034 6.219392 7.203229 7.231035 5.060396 5.076007 8.076735 8.101621 8.072400 4.350269 2.394561 2.397884 1.400169 3.408940 1.385786 3.406356 0.000000 7.100329 6.008282 6.865109 6.656972 8.131121 4.813423 5.864000 7.314593 9.156073 8.242839 4.674348 2.140089 3.837019 1.089885 2.517161 3.401694 4.920763 2.178432 0.000000 6.984959 6.755575 5.918796 7.983023 6.543187 5.801928 4.775951 8.992719 7.174072 8.105947 4.696282 3.830263 2.147572 3.404203 4.917572 1.090092 2.523695 2.165804 4.326802 0.000000 7.963411 7.258638 7.276804 8.206013 8.239816 6.116547 6.134508 9.034644 9.067467 9.135535 5.441950 3.389052 3.394289 2.167572 4.327792 2.156214 4.327138 1.091805 2.522604 2.511104 0.000000 4.225057 3.624511 3.631930 4.827997 4.839075 2.518243 2.528267 5.851606 5.856285 5.424974 1.591763 1.346897 1.343550 2.379677 2.063597 2.381068 2.062155 2.761112 3.357148 3.356518 3.852873 0.000000 3.443778 3.040776 3.032101 4.312335 4.292094 2.212891 2.210958 5.379994 5.345934 4.543157 1.230381 2.998475 3.143001 4.235078 2.967952 4.356814 3.240104 4.801001 5.005282 5.186203 5.861087 2.274848 0.000000 5.717945 6.044689 4.465069 7.474109 4.791783 5.419815 3.536608 8.610693 5.283735 6.643785 3.951500 5.194749 3.665643 5.832509 5.774794 4.502068 3.098479 5.533213 6.803383 4.634984 6.346175 4.125190 3.494290 0.000000 5.248554 5.599736 4.225923 6.948276 4.634149 5.113415 3.531012 8.042989 5.195748 6.072775 3.827186 5.466412 4.423979 6.335786 5.790262 5.456869 3.943174 6.334405 7.230721 5.793368 7.237943 4.466813 3.058226 1.442329 0.000000 5.813570 6.353829 4.790064 7.667800 4.920351 6.016465 4.304792 8.743247 5.277935 6.481870 4.792760 6.557986 5.424022 7.430131 6.860606 6.443241 4.831411 7.381622 8.330186 6.683536 8.262004 5.525879 4.044625 2.091476 1.101269 0.000000 5.733793 5.836365 4.900871 7.102601 5.516842 5.217931 4.133183 8.147673 6.176121 6.601696 4.034357 5.351182 4.694783 6.172433 5.586288 5.620241 4.452842 6.296855 6.959380 6.054431 7.165915 4.575444 3.026012 2.089671 1.098258 1.783176 0.000000 4.167779 4.585706 3.231692 5.924540 3.752471 4.237469 2.690205 7.019939 4.442099 4.975872 3.066283 5.083633 4.202754 6.128687 5.289150 5.418156 3.704279 6.275421 7.027005 5.877513 7.266122 4.029939 2.382852 2.120639 1.105073 1.787347 1.786414 0.000000 6.117676 6.140437 4.952368 7.538043 5.539964 5.276029 3.800694 8.652221 6.170758 7.178878 3.808989 4.350713 2.911937 4.753859 5.059777 3.464515 2.701993 4.368937 5.689280 3.641455 5.110908 3.480408 3.416232 1.371474 2.439632 3.298590 2.577935 2.990437 0.000000 6.407809 6.224994 5.431446 7.540259 6.201300 5.259679 4.277048 8.605297 6.931364 7.493360 3.919022 4.169250 3.323500 4.546615 4.757769 3.786330 3.410974 4.375943 5.350322 4.146659 5.094174 3.576106 3.279930 2.103056 2.644538 3.559105 2.307364 3.222140 1.092384 0.000000 6.852477 6.891303 5.603674 8.294923 6.078241 6.002291 4.433281 9.410792 6.614899 7.921607 4.536311 4.731333 3.010178 4.864597 5.591134 3.174547 2.802311 4.171395 5.806838 3.039022 4.743609 3.912758 4.343379 2.099066 3.405224 4.129577 3.614336 3.973952 1.093794 1.874057 0.000000 5.733333 6.341671 4.298002 7.795657 4.213258 5.900359 3.561792 8.949155 4.445186 6.547413 4.449859 5.884716 3.961779 6.508336 6.539259 4.798964 3.075084 6.037647 7.554807 4.713844 6.824190 4.653735 4.322773 1.444078 2.442865 2.682714 3.376082 2.788122 2.429370 3.405136 2.660834 0.000000 6.536341 7.076708 5.065480 8.535809 4.956554 6.547503 4.242431 9.690663 5.117947 7.388999 5.070723 6.129308 4.002763 6.538441 6.918941 4.550288 3.150539 5.844225 7.588822 4.225043 6.497865 4.953861 5.056929 2.091782 3.371967 3.635099 4.166740 3.808186 2.582260 3.645207 2.334886 1.099420 0.000000 6.183048 6.954223 4.783553 8.379242 4.448733 6.646683 4.273098 9.518574 4.463204 6.851313 5.258057 6.889711 5.040461 7.569716 7.475373 5.899015 4.134144 7.131348 8.605907 5.786145 7.912807 5.652055 5.027966 2.095341 2.653634 2.419493 3.644002 3.071830 3.307326 4.170317 3.574275 1.100538 1.781360 0.000000 4.828383 5.541066 3.342252 6.984015 3.187564 5.223704 2.719817 8.133246 3.470443 5.618872 3.857279 5.522597 3.595260 6.263555 6.133444 4.610944 2.582273 5.875460 7.332928 4.621546 6.739289 4.206009 3.980210 2.117073 2.815794 3.173505 3.809301 2.714401 2.943724 3.898943 3.239103 1.106443 1.794919 1.786996 0.000000 C13H14BN6O(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 0 266.98969999999986 AuxInfo=1/0/N:18,14,16,12,13,4,5,2,3,1,11,8,9,6,7,22,10;29,25,32,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15);(2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.2,7.2,8.3,9.3,10.3,11.4,12.1,13.1,14.2,15.2,17.1;1.3/rA:35nC3C3C3C2C2N2N2N1N1O1B4C3C3C3HC3HC3HHHNHNCHHHC3HHCHHH/rB:s1;s1;s2;s3;s2;s3;s4;s5;s1;s6s7;;;s12;s12;s13;s13;s14s16;s14;s16;s18;s11s12s13;s11;;s24;s25;s25;s25;s24;s29;s29;s24;s32;s32;s32;/rC:-2.808,.4509,.1183;-2.5736,-.9574,-.38;-1.5447,1.1647,.5462;-3.776,-1.7658,-.564;-1.7375,2.4324,1.2462;-1.4245,-1.4435,-.6042;-.3758,.7148,.351;-4.71,-2.4292,-.7157;-1.8367,3.4434,1.7974;-3.901,.9443,.2157;-.2205,-.5425,-.4721;1.1306,-2.6798,-.2832;1.9256,-.8157,.8759;2.2165,-3.4378,.1078;.3217,-3.0688,-.9033;3.0315,-1.5348,1.3255;1.7199,.2107,1.1707;3.1849,-2.8554,.9346;2.2956,-4.4739,-.2209;3.7594,-1.0422,1.9704;4.0459,-3.4367,1.2705;.9911,-1.3979,.1059;.1018,-.1939,-1.6072;2.4921,2.2818,-1.0008;1.5208,2.479,-2.0487;1.469,3.5461,-2.3157;1.8146,1.913,-2.9429;.5107,2.1496,-1.7449;3.1863,1.102,-.9165;3.293,.5273,-1.8393;4.0089,1.0744,-.196;2.2919,3.0696,.1928;3.1716,2.9881,.8472;2.1581,4.1296,-.071;1.3967,2.7383,.7524; 0.3503431 0.2487769 0.1687169 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= 382 382 382 382 382 MxSgAt= 35 MxSgA2= 35. 1 open 1 1 1 -931.316492477043 -931.316492477 1 0.7546 9.219972964646e+02 -5.233366668313e+03 1.844401324323e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572558032 LenY= 1572409366 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. 0.7546 Using compressed storage, NAtomX= 35. Will process 36 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=11111111111111111111111111111111111 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. 10543 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= 105 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= 105 NMatS0= 105 NMatT0= 0 NMatD0= 105 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. There are 108 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 105 vectors produced by pass 0 Test12= 4.27D-14 1.00D-09 XBig12= 2.47D+02 6.60D+00. AX will form 105 AO Fock derivatives at one time. 105 vectors produced by pass 1 Test12= 4.27D-14 1.00D-09 XBig12= 4.16D+01 1.36D+00. 105 vectors produced by pass 2 Test12= 4.27D-14 1.00D-09 XBig12= 2.92D+00 1.77D-01. 105 vectors produced by pass 3 Test12= 4.27D-14 1.00D-09 XBig12= 7.15D-02 2.73D-02. 105 vectors produced by pass 4 Test12= 4.27D-14 1.00D-09 XBig12= 9.23D-04 2.70D-03. 105 vectors produced by pass 5 Test12= 4.27D-14 1.00D-09 XBig12= 8.69D-06 3.34D-04. 105 vectors produced by pass 6 Test12= 4.27D-14 1.00D-09 XBig12= 7.84D-08 2.32D-05. 76 vectors produced by pass 7 Test12= 4.27D-14 1.00D-09 XBig12= 6.84D-10 1.92D-06. 27 vectors produced by pass 8 Test12= 4.27D-14 1.00D-09 XBig12= 7.25D-12 2.84D-07. 4 vectors produced by pass 9 Test12= 4.27D-14 1.00D-09 XBig12= 7.55D-14 2.92D-08. 2 vectors produced by pass 10 Test12= 4.27D-14 1.00D-09 XBig12= 1.38D-15 4.47D-09. InvSVY: IOpt=1 It= 1 EMax= 7.11D-15 Solved reduced A of dimension 844 with 108 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 205.62 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 229.846 -6.026 251.536 6.577 1.142 135.482 243.586 -15.815 241.823 8.397 20.482 158.815 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 C C C C C N N N N O B C C C H C H C H H H N H N C H H H C H H C H H H 13 13 13 13 13 14 14 14 14 17 11 13 13 13 1 13 1 13 1 1 1 14 1 14 13 1 1 1 13 1 1 13 1 1 1 -0.00009 0.00029 -0.00002 -0.00018 -0.00008 -0.00019 0.00373 0.00014 0.00019 0.00003 -0.00006 -0.00460 0.00748 0.00591 0.00014 0.00455 0.00136 -0.00122 -0.00058 -0.00034 -0.00008 0.01575 0.00005 0.08963 -0.01113 0.00233 0.00084 0.00614 0.16315 -0.00580 -0.00350 -0.00655 0.00142 0.00116 0.00624 -0.10027 0.32085 -0.01822 -0.19968 -0.09480 -0.06110 1.20438 0.04653 0.06218 -0.01881 -0.08876 -5.17510 8.40881 6.64232 0.62855 5.11444 6.06094 -1.37663 -2.57614 -1.51773 -0.33904 5.08912 0.23030 28.95873 -12.51543 10.40014 3.77015 27.43143 183.41448 -25.90404 -15.65727 -7.36457 6.34353 5.20567 27.90419 -0.03578 0.11449 -0.00650 -0.07125 -0.03383 -0.02180 0.42975 0.01660 0.02219 -0.00671 -0.03167 -1.84660 3.00047 2.37014 0.22428 1.82496 2.16269 -0.49121 -0.91923 -0.54156 -0.12098 1.81592 0.08218 10.33319 -4.46582 3.71103 1.34528 9.78822 65.44685 -9.24321 -5.58690 -2.62786 2.26353 1.85751 9.95691 -0.03345 0.10702 -0.00608 -0.06661 -0.03162 -0.02038 0.40174 0.01552 0.02074 -0.00627 -0.02961 -1.72623 2.80488 2.21564 0.20966 1.70599 2.02171 -0.45919 -0.85931 -0.50626 -0.11309 1.69755 0.07682 9.65959 -4.17470 3.46911 1.25759 9.15014 61.18049 -8.64066 -5.22270 -2.45656 2.11597 1.73642 9.30784 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 0.001364 0.000199 0.001800 0.000808 0.001289 0.002791 0.005151 -0.000228 0.001260 0.000666 0.003811 -0.000121 -0.001462 -0.005684 -0.000132 -0.008172 -0.003904 -0.002656 -0.002705 -0.002242 -0.000566 -0.007344 0.003821 0.133577 0.001028 -0.000387 -0.002638 0.007040 0.096223 -0.027221 0.022874 -0.012244 -0.006453 -0.004788 -0.001447 -0.000658 -0.001162 -0.000876 -0.000136 -0.000724 0.001060 -0.002698 -0.000617 -0.000747 -0.000867 -0.001355 0.007764 0.000598 -0.011830 0.001672 -0.005047 -0.001380 0.001859 0.004039 -0.000351 0.001510 -0.038057 -0.001134 0.054906 -0.003930 0.000101 -0.005393 -0.004044 0.013073 -0.003662 -0.033715 0.004863 0.000827 0.007537 -0.001223 -0.000705 0.000963 -0.000924 -0.000672 -0.000565 -0.003851 -0.002453 0.000845 -0.000514 0.000201 -0.002457 -0.007643 0.000864 0.017513 -0.001540 0.013219 0.005284 0.000798 -0.001334 0.002593 -0.000944 0.045401 -0.002687 -0.188482 0.002902 0.000286 0.008032 -0.002996 -0.109296 0.030884 0.010841 0.007381 0.005626 -0.002749 0.002671 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 0.000178 0.000565 -0.000222 0.000521 -0.000514 0.001802 0.000546 0.000161 -0.000857 -0.000066 0.002062 -0.002228 -0.006416 0.009483 0.001008 0.005519 0.004766 0.002090 -0.000111 0.000305 -0.001289 0.029304 0.003264 0.458146 -0.005409 -0.005396 -0.000733 -0.002988 0.415026 0.014545 0.013785 -0.004986 0.001792 -0.002896 -0.004375 -0.000274 0.000235 -0.000841 0.000092 -0.001193 -0.000139 -0.002147 0.000047 -0.000482 -0.000052 -0.000436 0.006234 0.001494 -0.024997 0.000347 -0.013565 -0.008853 -0.002521 -0.001331 0.002302 0.000393 -0.070659 0.002872 -0.301325 0.013424 0.005272 0.007750 0.005969 -0.337814 -0.019793 0.033971 -0.002302 0.002473 -0.001903 -0.005916 0.000020 -0.000946 -0.000729 0.000093 0.000279 -0.000330 -0.000410 -0.000280 0.000242 0.000120 -0.000887 0.004095 0.011338 -0.014844 0.000318 -0.015141 -0.007731 -0.004620 0.000682 -0.002603 -0.001269 -0.039741 0.000190 -0.277948 -0.003823 -0.006333 -0.001961 -0.001078 -0.304267 0.032370 -0.015820 0.013805 0.008466 0.006654 0.005470 0.1508 -0.4339 0.8882 -0.0192 0.897 0.4415 0.9884 0.0837 -0.127 -8.0E-4 -7.0E-4 0.0014 -0.102 -0.088 0.19 -0.036 -0.031 0.068 -0.034 -0.029 0.063 1 C 13 -0.304 0.8897 0.3406 0.9525 0.2908 0.0905 0.0185 -0.3519 0.9358 -0.0017 4.0E-4 0.0013 -0.23 0.053 0.178 -0.082 0.019 0.063 -0.077 0.018 0.059 2 C 13 0.2126 0.6383 0.7398 -0.1695 0.7697 -0.6154 0.9623 -0.0055 -0.2718 -0.0018 -2.0E-4 0.002 -0.241 -0.033 0.274 -0.086 -0.012 0.098 -0.08 -0.011 0.091 3 C 13 -0.0043 -0.1623 0.9867 -0.4127 0.8991 0.1461 0.9109 0.4066 0.0709 -7.0E-4 -4.0E-4 0.001 -0.092 -0.048 0.141 -0.033 -0.017 0.05 -0.031 -0.016 0.047 4 C 13 0.4244 -0.078 0.9021 0.2229 0.9746 -0.0205 0.8776 -0.2098 -0.4311 -0.0012 -8.0E-4 0.002 -0.154 -0.114 0.268 -0.055 -0.041 0.096 -0.051 -0.038 0.089 5 C 13 0.0031 0.0656 0.9978 -0.535 0.8431 -0.0538 0.8448 0.5337 -0.0377 -0.0039 -1.0E-4 0.0039 -0.149 -0.002 0.152 -0.053 -0.001 0.054 -0.05 -0.001 0.051 6 N 14 0.1824 0.5148 0.8377 -0.1941 0.8541 -0.4826 0.9639 0.0746 -0.2557 -0.0032 -0.0026 0.0058 -0.122 -0.1 0.222 -0.044 -0.036 0.079 -0.041 -0.033 0.074 7 N 14 -0.3192 0.9312 0.1759 0.9476 0.3166 0.0434 0.0152 -0.1805 0.9835 -7.0E-4 -2.0E-4 9.0E-4 -0.028 -0.007 0.035 -0.01 -0.002 0.012 -0.009 -0.002 0.012 8 N 14 0.3176 0.9388 -0.1335 0.266 0.047 0.9628 0.9101 -0.3414 -0.2347 -0.0011 -6.0E-4 0.0017 -0.041 -0.024 0.066 -0.015 -0.009 0.023 -0.014 -0.008 0.022 9 N 14 0.0386 0.9934 -0.1084 0.1271 0.1027 0.9866 0.9911 -0.0518 -0.1223 -9.0E-4 2.0E-4 7.0E-4 0.064 -0.015 -0.049 0.023 -0.005 -0.017 0.021 -0.005 -0.016 10 O 17 -0.1233 0.5791 0.8059 -0.3309 0.7416 -0.5836 0.9356 0.3386 -0.1003 -0.003 -0.0016 0.0046 -0.518 -0.27 0.788 -0.185 -0.096 0.281 -0.173 -0.09 0.263 11 B 11 -0.4779 -0.2268 0.8486 0.8727 -0.0125 0.4881 -0.1001 0.9739 0.2039 -0.0122 0.0034 0.0089 -1.644 0.456 1.188 -0.586 0.163 0.424 -0.548 0.152 0.396 12 C 13 0.4399 0.6792 -0.5875 0.8614 -0.1341 0.4899 -0.254 0.7216 0.6441 -0.0134 4.0E-4 0.013 -1.793 0.052 1.741 -0.64 0.019 0.621 -0.598 0.017 0.581 13 C 13 0.8431 -0.0014 0.5377 -0.1734 0.9459 0.2743 -0.509 -0.3245 0.7973 -0.0216 -0.0179 0.0395 -2.904 -2.398 5.303 -1.036 -0.856 1.892 -0.969 -0.8 1.769 14 C 13 -0.2065 -0.0311 0.978 0.8872 -0.4273 0.1738 0.4125 0.9036 0.1158 -0.0016 -5.0E-4 0.0022 -0.866 -0.293 1.16 -0.309 -0.105 0.414 -0.289 -0.098 0.387 15 H 1 0.7007 0.4402 0.5615 -0.6062 0.7823 0.1431 -0.3763 -0.4407 0.815 -0.0156 -0.0121 0.0277 -2.09 -1.623 3.713 -0.746 -0.579 1.325 -0.697 -0.541 1.238 16 C 13 0.8581 -0.0153 0.5133 -0.2313 0.8809 0.4128 -0.4585 -0.473 0.7524 -0.0093 -0.0063 0.0155 -4.954 -3.337 8.291 -1.768 -1.191 2.958 -1.652 -1.113 2.765 17 H 1 0.7972 0.1711 0.579 -0.5139 0.6955 0.5022 0.3167 0.6979 -0.6424 -0.004 -0.003 0.0071 -0.542 -0.405 0.947 -0.193 -0.145 0.338 -0.181 -0.135 0.316 18 C 13 0.8493 -0.035 0.5267 -0.5262 -0.1358 0.8394 -0.0421 0.9901 0.1338 -0.0035 -6.0E-4 0.0041 -1.881 -0.326 2.207 -0.671 -0.116 0.787 -0.627 -0.109 0.736 19 H 1 0.7837 -0.4205 -0.4571 0.5598 0.7971 0.2265 0.2691 -0.4334 0.8601 -0.0037 -9.0E-4 0.0046 -2.0 -0.468 2.468 -0.714 -0.167 0.881 -0.667 -0.156 0.823 20 H 1 0.2928 0.4718 0.8316 0.8735 0.2217 -0.4334 -0.3889 0.8534 -0.3472 -0.0015 -0.0011 0.0026 -0.814 -0.581 1.395 -0.29 -0.207 0.498 -0.271 -0.194 0.465 21 H 1 0.8128 -0.4291 0.394 0.21 0.8466 0.489 -0.5434 -0.3147 0.7782 -0.0571 -0.0537 0.1108 -2.201 -2.073 4.274 -0.785 -0.74 1.525 -0.734 -0.691 1.426 22 N 14 -0.4519 0.4269 0.7833 -0.1848 0.8142 -0.5504 0.8727 0.3935 0.2891 -0.0042 -0.002 0.0062 -2.262 -1.069 3.331 -0.807 -0.381 1.189 -0.755 -0.357 1.111 23 H 1 0.1661 0.4078 0.8978 0.7205 -0.6718 0.1718 0.6732 0.6184 -0.4054 -0.3705 -0.3654 0.7359 -14.288 -14.093 28.381 -5.098 -5.029 10.127 -4.766 -4.701 9.467 24 N 14 0.7482 0.2089 -0.6297 0.0395 0.9334 0.3566 0.6623 -0.2916 0.6902 -0.0118 -0.0056 0.0174 -1.581 -0.754 2.335 -0.564 -0.269 0.833 -0.527 -0.251 0.779 25 C 13 0.1105 0.7525 0.6493 0.8343 0.2847 -0.4721 0.5401 -0.5939 0.5963 -0.0062 -0.0052 0.0114 -3.284 -2.781 6.065 -1.172 -0.992 2.164 -1.096 -0.928 2.023 26 H 1 0.8512 -0.223 -0.4751 0.2515 0.9679 -0.0038 0.4607 -0.1163 0.8799 -0.0068 -0.0056 0.0123 -3.613 -2.975 6.589 -1.289 -1.062 2.351 -1.205 -0.992 2.198 27 H 1 -0.4531 -0.2373 0.8593 0.0855 0.9479 0.3069 0.8874 -0.2125 0.4092 -0.0058 -0.0047 0.0105 -3.119 -2.487 5.606 -1.113 -0.888 2.001 -1.04 -0.83 1.87 28 H 1 0.7295 -0.6599 0.1802 0.211 0.4676 0.8584 0.6507 0.5881 -0.4804 -0.3626 -0.3581 0.7208 -48.664 -48.056 96.72 -17.364 -17.148 34.512 -16.232 -16.03 32.262 29 C 13 0.7434 -0.5335 0.4034 0.656 0.6994 -0.2837 -0.1308 0.4755 0.8699 -0.0484 -0.0032 0.0516 -25.825 -1.682 27.507 -9.215 -0.6 9.815 -8.614 -0.561 9.175 30 H 1 -0.3666 0.8239 0.4321 -0.5262 -0.5667 0.634 0.7673 0.0051 0.6413 -0.0481 -0.0032 0.0514 -25.688 -1.715 27.403 -9.166 -0.612 9.778 -8.569 -0.572 9.141 31 H 1 0.9334 0.3384 -0.1194 0.325 -0.6559 0.6813 -0.1523 0.6747 0.7222 -0.0138 -0.007 0.0208 -1.846 -0.94 2.786 -0.659 -0.335 0.994 -0.616 -0.314 0.929 32 C 13 0.9863 -0.0603 -0.1534 -0.0437 0.8015 -0.5964 0.1589 0.5949 0.7879 -0.0069 -0.0056 0.0125 -3.707 -2.972 6.679 -1.323 -1.06 2.383 -1.236 -0.991 2.228 33 H 1 0.484 -0.2957 0.8236 0.8504 0.3808 -0.363 -0.2063 0.8761 0.4358 -0.0063 -0.0053 0.0115 -3.338 -2.813 6.151 -1.191 -1.004 2.195 -1.114 -0.938 2.052 34 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT8770.600S Tue Jul 2 15:30:36 2024 -19.28714 -14.54349 -14.48211 -14.46658 -14.46231 -14.45867 -14.45246 -10.42086 -10.39986 -10.39575 -10.39425 -10.39223 -10.37072 -10.35794 -10.35734 -10.34698 -10.34084 -10.33450 -10.33447 -10.32162 -6.88019 -1.17640 -1.12163 -1.05773 -1.05325 -1.02469 -1.00038 -0.99158 -0.95688 -0.91432 -0.82701 -0.82163 -0.81313 -0.79762 -0.77961 -0.77669 -0.74108 -0.70150 -0.68238 -0.63545 -0.63237 -0.61987 -0.60204 -0.58718 -0.58530 -0.58057 -0.57836 -0.56504 -0.56218 -0.55967 -0.55688 -0.54782 -0.50120 -0.49341 -0.48831 -0.48571 -0.48408 -0.47995 -0.47659 -0.47136 -0.46034 -0.45454 -0.45191 -0.43607 -0.42853 -0.42385 -0.41767 -0.41457 -0.40627 -0.40304 -0.38433 -0.37228 -0.32303 -0.22245 -0.04715 -0.02354 -0.00851 0.01188 0.07423 0.09293 0.10776 0.11880 0.12529 0.14758 0.16139 0.16315 0.16793 0.17335 0.17915 0.18589 0.19059 0.20210 0.20333 0.20814 0.21084 0.21423 0.22315 0.22982 0.24550 0.25332 0.26014 0.27131 0.27971 0.28315 0.30171 0.30963 0.31707 0.32170 0.32538 0.33320 0.34008 0.36084 0.36755 0.38285 0.39805 0.40993 0.41758 0.44625 0.45230 0.46170 0.46684 0.48961 0.50286 0.50869 0.51059 0.51722 0.52693 0.53282 0.53527 0.54157 0.54604 0.55064 0.56177 0.57077 0.57505 0.58199 0.58761 0.59356 0.60294 0.61518 0.62388 0.63424 0.65600 0.66150 0.66820 0.67606 0.68169 0.68837 0.69231 0.69914 0.70817 0.71589 0.72359 0.72535 0.73134 0.73339 0.73543 0.73813 0.74585 0.75330 0.75566 0.76091 0.76612 0.76778 0.77132 0.77669 0.77960 0.79040 0.79347 0.80160 0.80391 0.80670 0.82204 0.84244 0.86080 0.86764 0.87008 0.88955 0.90483 0.91797 0.92538 0.95008 0.95477 0.96213 0.97472 0.99545 0.99815 1.01163 1.02214 1.02898 1.03311 1.04316 1.05869 1.07012 1.10473 1.11124 1.12820 1.14457 1.14900 1.15490 1.16085 1.17098 1.18336 1.19214 1.21248 1.21755 1.22917 1.24673 1.25660 1.26046 1.28544 1.29266 1.29892 1.31848 1.32277 1.32627 1.34872 1.35046 1.35901 1.36885 1.37999 1.39205 1.40928 1.43491 1.46349 1.47432 1.49553 1.52659 1.53948 1.55758 1.56169 1.57933 1.61147 1.61213 1.62515 1.62872 1.65556 1.68360 1.69170 1.69390 1.69923 1.70788 1.71750 1.73547 1.73706 1.74850 1.75521 1.76091 1.76935 1.77417 1.79399 1.79869 1.80324 1.81187 1.82547 1.83058 1.84236 1.85480 1.86688 1.88679 1.89216 1.90015 1.90115 1.91246 1.91716 1.92111 1.93173 1.93711 1.96742 1.97874 1.98647 2.00853 2.01334 2.02125 2.02537 2.03413 2.05518 2.06322 2.07492 2.08431 2.09031 2.10497 2.12200 2.13407 2.14793 2.17069 2.19026 2.19999 2.21730 2.23407 2.23979 2.25924 2.26967 2.33363 2.33904 2.34135 2.34746 2.34820 2.35225 2.36004 2.36298 2.37362 2.38194 2.39122 2.45080 2.45858 2.46713 2.47387 2.48161 2.49516 2.50904 2.51327 2.51742 2.52990 2.57979 2.59636 2.65160 2.65662 2.69039 2.70560 2.71282 2.71940 2.72945 2.73731 2.75193 2.75875 2.76557 2.76876 2.77542 2.78219 2.81603 2.82823 2.87212 2.88173 2.92001 2.93217 2.93627 2.95911 2.96688 2.99093 3.01430 3.02374 3.04361 3.05728 3.06137 3.07086 3.08215 3.11619 3.12878 3.15979 3.17942 3.20001 3.22325 3.28258 3.29794 3.32972 3.34577 3.39382 3.40083 3.54145 3.61359 3.61609 3.71419 3.73686 -19.28714 -14.54259 -14.47650 -14.46656 -14.46232 -14.45867 -14.45245 -10.42086 -10.39985 -10.39573 -10.39434 -10.39240 -10.37070 -10.35766 -10.35691 -10.34699 -10.34085 -10.33477 -10.33469 -10.31373 -6.88019 -1.17640 -1.12030 -1.05766 -1.04025 -1.02466 -1.00036 -0.99156 -0.95583 -0.91383 -0.82693 -0.82009 -0.80050 -0.79727 -0.77886 -0.77625 -0.74100 -0.70080 -0.66949 -0.63499 -0.63218 -0.61975 -0.60112 -0.58522 -0.58042 -0.57700 -0.57208 -0.56457 -0.55902 -0.55647 -0.55085 -0.54730 -0.50057 -0.49204 -0.48794 -0.48393 -0.48225 -0.47895 -0.47284 -0.46733 -0.46028 -0.45450 -0.45120 -0.43560 -0.42840 -0.42148 -0.41664 -0.41392 -0.40354 -0.39417 -0.37211 -0.34924 -0.32284 -0.04711 -0.02564 -0.01028 0.00843 0.05565 0.07444 0.09306 0.10830 0.11885 0.12596 0.14846 0.16287 0.16534 0.16967 0.17416 0.18022 0.18637 0.19137 0.20234 0.20596 0.20909 0.21294 0.21626 0.22568 0.23065 0.24644 0.25467 0.26144 0.27224 0.28007 0.28360 0.30210 0.31005 0.31753 0.32201 0.32711 0.33385 0.34226 0.36197 0.37013 0.38433 0.39879 0.41004 0.41855 0.44669 0.45475 0.46307 0.46731 0.49062 0.50416 0.50909 0.51217 0.52085 0.52749 0.53334 0.53639 0.54200 0.54833 0.55280 0.56505 0.57105 0.57897 0.58424 0.59175 0.59695 0.60530 0.61691 0.62638 0.63485 0.65685 0.66314 0.67114 0.67755 0.68386 0.68890 0.69322 0.69988 0.70842 0.71693 0.72597 0.72644 0.73168 0.73475 0.73736 0.74125 0.74740 0.75370 0.75733 0.76136 0.76628 0.76798 0.77284 0.77835 0.78031 0.79156 0.79524 0.80343 0.80749 0.81086 0.82359 0.84329 0.86115 0.86902 0.87057 0.89002 0.90587 0.91925 0.92636 0.95107 0.95658 0.96688 0.97533 0.99839 1.00297 1.01283 1.02329 1.02939 1.03375 1.04491 1.06111 1.07150 1.10783 1.11233 1.12913 1.14506 1.14944 1.15615 1.16195 1.17400 1.18548 1.19500 1.21341 1.21825 1.23007 1.24820 1.25816 1.26251 1.28680 1.29337 1.30092 1.31956 1.32481 1.33384 1.35001 1.35137 1.36149 1.37054 1.38064 1.39308 1.41072 1.43503 1.46386 1.47504 1.49571 1.52675 1.54244 1.55831 1.56261 1.58090 1.61226 1.61342 1.62867 1.63103 1.65630 1.68477 1.69256 1.69455 1.70109 1.70870 1.71949 1.73637 1.73812 1.74953 1.75719 1.76194 1.77084 1.77880 1.79568 1.80001 1.80375 1.81242 1.82715 1.83171 1.84415 1.85852 1.86919 1.89143 1.89349 1.90305 1.90547 1.91330 1.91981 1.92249 1.93211 1.93823 1.96839 1.97930 1.98868 2.00892 2.01659 2.02215 2.02718 2.03526 2.05570 2.06390 2.08003 2.08956 2.09252 2.10556 2.12225 2.13475 2.14807 2.17115 2.19206 2.20064 2.23825 2.24087 2.24668 2.26330 2.27074 2.33452 2.34118 2.34219 2.34813 2.35225 2.35297 2.36288 2.37243 2.37801 2.38290 2.39270 2.45215 2.45880 2.46769 2.47449 2.48453 2.49578 2.50979 2.51480 2.52013 2.53162 2.58004 2.59704 2.65198 2.65733 2.69830 2.70796 2.71743 2.72226 2.72970 2.73928 2.75261 2.75912 2.76603 2.77151 2.78202 2.78547 2.81614 2.82971 2.87432 2.88764 2.92028 2.93248 2.93982 2.96099 2.96814 2.99264 3.01634 3.03642 3.04382 3.05755 3.06186 3.07096 3.08220 3.12195 3.13546 3.16030 3.17956 3.20017 3.22325 3.29000 3.29815 3.32981 3.35314 3.39411 3.40088 3.54146 3.61360 3.61610 3.71448 3.73692 2-A. 4.27778300e+00 -1.26353453e+00 1.07207300e-02 2.29845952e+02 -6.02621240e+00 2.51535969e+02 6.57742534e+00 1.14245325e+00 1.35482145e+02 -0.0007 -0.0005 -0.0003 2.7300 3.2578 4.1896 18.7660 32.7065 36.5433 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 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 18.4399 32.5700 36.5355 45.3776 53.6983 63.7855 80.3774 88.5076 93.2497 116.7932 128.9688 162.7685 170.1715 190.2331 191.6921 198.3962 244.8145 287.0158 300.9278 320.9766 363.8642 398.2436 410.2318 420.8264 423.4156 429.2027 450.7447 464.1710 469.4816 470.9456 480.7669 621.4372 636.5270 665.9147 687.8887 691.6685 714.2170 715.0142 755.5796 765.5777 802.7253 877.3777 882.0426 884.1948 887.1803 930.9108 968.6186 970.7972 1022.2353 1043.4054 1049.4550 1072.9832 1075.2280 1090.3487 1092.9260 1099.3640 1109.6848 1133.6510 1147.3215 1159.3659 1164.1104 1174.3232 1210.3009 1226.6619 1341.3169 1350.3013 1366.2050 1369.3668 1415.6628 1434.0699 1454.8465 1456.8802 1466.4830 1484.6292 1491.5778 1504.2867 1528.1635 1562.5014 1658.8626 1713.2056 1735.1783 1755.3050 1871.6426 2407.1376 2408.7461 2447.3504 3020.5063 3028.8644 3111.8016 3116.3296 3141.5797 3157.2999 3165.9393 3224.8210 3244.0862 3247.4400 3255.6652 3268.0447 3287.7080 5.1223 5.6583 3.6348 4.9916 8.0658 6.4306 6.4677 4.7195 2.3795 11.3523 2.8026 6.7137 3.5847 2.7919 1.8598 1.1946 7.6181 2.7903 7.6566 9.2173 9.4306 8.7774 11.8305 2.3909 1.1360 2.2095 4.1499 2.3564 10.4296 11.0572 10.2837 5.7971 11.8117 6.2895 7.2082 6.8203 1.3176 1.7855 12.6109 2.3365 2.9313 2.8892 7.0817 5.1297 1.5899 2.9159 1.3791 1.5172 1.3939 1.5500 2.7567 2.1234 1.3402 1.4792 1.8576 1.7890 1.2607 1.9485 2.1220 1.8435 1.9447 1.1273 8.1901 1.2213 5.4812 3.6581 3.2589 1.7539 1.2794 1.1901 1.2670 1.1178 1.0469 1.0986 1.0895 2.4211 2.3143 2.2159 6.3444 5.7958 12.7683 12.6946 13.2038 12.6102 12.4621 1.0851 1.0391 1.0385 1.1006 1.0993 1.0528 1.1058 1.1043 1.0907 1.0921 1.0974 1.1007 1.1207 1.0959 0.0010 0.0035 0.0029 0.0061 0.0137 0.0154 0.0246 0.0218 0.0122 0.0912 0.0275 0.1048 0.0612 0.0595 0.0403 0.0277 0.2690 0.1354 0.4085 0.5595 0.7356 0.8202 1.1730 0.2495 0.1200 0.2398 0.4968 0.2991 1.3544 1.4449 1.4005 1.3190 2.8196 1.6432 2.0096 1.9224 0.3960 0.5378 4.2419 0.8069 1.1129 1.3104 3.2461 2.3629 0.7373 1.4888 0.7623 0.8425 0.8582 0.9943 1.7888 1.4404 0.9129 1.0361 1.3073 1.2739 0.9147 1.4754 1.6458 1.4600 1.5527 0.9159 7.0685 1.0827 5.8102 3.9297 3.5839 1.9377 1.5107 1.4420 1.5800 1.3979 1.3265 1.4267 1.4282 3.2280 3.1843 3.1874 10.2864 10.0226 22.6501 23.0449 27.2518 43.0500 42.6013 3.8291 5.5853 5.6132 6.2794 6.2900 6.1218 6.4946 6.5215 6.6832 6.7718 6.8188 6.8741 7.0518 6.9791 2.1534 1.9093 0.4977 3.2687 0.4304 1.2319 3.7359 5.3393 6.5813 3.4709 11.1761 3.2465 1.2038 0.9638 0.2272 0.6830 16.4725 19.1890 2.6729 22.0043 10.1972 13.7306 1.7941 5.9136 1.8704 0.0397 4.0492 2.6873 2.4824 0.6116 6.8194 5.4900 0.1676 1.5556 2.5264 2.3135 6.7752 49.0091 3.6641 10.6378 38.8814 18.1823 46.0383 14.7497 45.5060 6.5007 72.4935 3.3377 17.3927 14.1744 47.1793 108.7523 8.9565 11.3964 73.5511 18.2555 4.5959 112.4624 128.4809 25.5296 114.3971 20.4148 3.3644 22.7414 11.2598 0.7720 22.4808 23.6961 30.4495 1.3511 73.9611 33.3550 19.5675 8.5568 8.6370 127.6500 17.2870 140.7485 92.5381 39.9467 9.7687 54.8664 176.9518 0.6843 0.4393 46.9241 38.2338 61.0332 58.3686 6.4081 12.3670 12.0566 9.1082 2.1259 4.2687 0.9626 5.6674 9.9265 8.7769 -0.04 -0.02 0.03 -0.04 -0.03 0.05 -0.03 0.01 -0.06 -0.03 -0.05 0.12 -0.02 0.03 -0.09 -0.04 -0.01 0.00 -0.03 0.03 -0.10 -0.03 -0.08 0.18 -0.01 0.05 -0.11 -0.05 -0.04 0.07 -0.05 0.01 -0.07 0.03 0.06 -0.15 -0.07 0.02 -0.01 0.04 0.07 -0.15 0.07 0.07 -0.21 -0.07 0.02 0.00 -0.11 -0.01 0.05 -0.02 0.04 -0.07 0.08 0.09 -0.21 -0.12 -0.00 0.07 -0.02 0.05 -0.06 -0.02 0.03 -0.08 -0.10 -0.02 -0.09 0.12 -0.03 0.10 0.20 -0.10 0.01 0.23 -0.12 -0.07 0.28 -0.16 0.07 0.18 -0.08 -0.05 0.13 -0.01 0.23 0.22 -0.06 0.27 0.06 0.04 0.31 0.00 0.04 0.04 -0.06 0.08 0.12 0.02 0.02 -0.03 -0.05 0.06 -0.02 -0.03 -0.01 0.06 0.00 0.03 -0.03 -0.04 0.00 0.08 0.02 0.02 -0.10 -0.07 -0.04 0.16 0.01 0.06 -0.04 -0.03 0.05 0.05 0.03 0.02 -0.17 -0.10 -0.09 0.23 -0.04 -0.05 0.11 -0.00 0.07 0.01 0.02 0.08 -0.01 -0.02 0.07 0.04 0.01 0.08 -0.01 0.03 0.09 -0.04 -0.03 0.06 0.06 -0.04 0.06 0.06 -0.01 0.07 0.03 0.03 0.09 -0.03 -0.05 0.05 0.09 -0.02 0.07 0.05 -0.00 0.07 0.01 0.01 0.10 0.02 0.07 -0.12 -0.11 0.11 -0.18 -0.16 0.21 -0.22 -0.32 0.08 -0.34 -0.07 0.08 -0.05 -0.13 0.05 -0.12 0.02 0.07 -0.21 0.07 0.03 -0.07 0.04 0.04 -0.01 -0.19 0.01 0.03 -0.15 0.06 -0.04 -0.28 0.01 0.04 -0.19 -0.04 -0.03 0.01 -0.01 -0.02 -0.00 -0.05 0.01 -0.02 0.00 -0.05 0.02 -0.07 0.00 -0.02 -0.01 0.01 -0.03 -0.04 0.03 -0.03 0.02 -0.07 0.03 -0.09 0.00 -0.02 -0.05 -0.06 0.05 -0.02 0.03 -0.03 -0.03 0.03 0.03 -0.01 0.07 -0.05 -0.03 0.03 0.05 -0.04 0.01 0.05 -0.01 0.07 -0.02 0.01 0.08 -0.09 -0.03 0.06 0.03 -0.05 0.02 0.09 -0.01 0.09 -0.04 -0.03 0.06 0.05 -0.02 0.04 -0.02 -0.02 0.04 -0.03 0.11 -0.03 -0.01 0.04 0.12 0.09 0.04 0.16 0.23 -0.03 0.23 -0.01 0.06 0.10 0.12 0.04 -0.09 -0.17 -0.08 -0.01 -0.23 0.10 -0.21 -0.24 0.23 -0.14 0.09 0.25 -0.30 0.05 0.33 -0.10 0.21 0.22 -0.12 0.09 0.00 -0.05 0.05 -0.00 -0.02 -0.02 0.01 -0.03 -0.02 0.00 -0.03 -0.01 0.03 -0.04 0.02 -0.01 -0.00 -0.08 0.01 -0.01 -0.08 0.01 -0.03 -0.01 0.05 -0.06 0.05 -0.01 -0.08 0.17 -0.00 -0.01 -0.08 -0.09 -0.06 0.07 -0.01 -0.01 -0.07 -0.14 -0.09 0.15 -0.11 -0.07 0.09 -0.05 -0.03 -0.01 0.05 0.03 -0.17 -0.12 -0.08 0.11 -0.20 -0.13 0.24 -0.02 -0.02 -0.05 -0.16 -0.10 0.17 -0.02 -0.02 -0.04 0.01 -0.02 -0.08 0.09 0.17 -0.05 0.12 0.10 -0.08 -0.01 0.11 -0.03 0.24 0.19 -0.10 0.14 -0.05 -0.15 0.14 0.20 -0.01 0.25 0.23 -0.02 0.07 0.22 0.06 -0.03 0.14 -0.04 -0.06 0.20 0.00 -0.10 0.13 -0.04 -0.04 0.06 -0.09 0.03 -0.05 0.14 0.04 0.01 -0.02 0.05 0.02 -0.03 0.05 0.02 -0.09 0.09 0.07 -0.11 0.04 0.04 -0.10 0.05 0.04 -0.10 0.06 0.02 -0.18 0.15 0.13 -0.21 0.01 -0.15 0.40 0.04 0.02 -0.07 0.05 0.03 -0.07 -0.05 -0.01 0.06 0.03 0.02 -0.02 0.10 0.05 -0.15 -0.08 -0.02 0.13 -0.08 -0.02 0.09 -0.05 -0.00 0.09 0.06 0.04 -0.05 -0.14 -0.04 0.21 -0.07 -0.01 0.14 0.01 0.01 -0.03 0.08 0.01 -0.07 -0.14 -0.07 0.03 -0.15 0.00 0.06 -0.01 -0.00 -0.00 -0.25 -0.09 0.08 -0.18 0.16 0.11 -0.19 -0.10 0.02 -0.28 -0.13 0.03 -0.14 -0.12 -0.04 -0.02 -0.02 0.02 0.01 -0.07 -0.02 0.05 -0.01 -0.00 -0.02 0.07 0.07 0.05 0.03 -0.09 0.05 0.02 -0.06 0.05 0.02 -0.06 0.06 -0.03 0.09 0.05 -0.05 0.06 0.05 0.04 -0.11 0.04 0.04 -0.11 0.08 -0.10 0.26 0.06 -0.13 0.21 0.05 0.05 -0.14 0.05 0.05 -0.14 0.05 0.05 -0.13 -0.08 -0.01 0.06 -0.02 0.02 -0.01 0.12 0.09 -0.24 -0.16 -0.05 0.19 -0.10 -0.02 0.07 -0.13 -0.04 0.16 0.01 0.03 -0.05 -0.24 -0.09 0.32 -0.19 -0.07 0.26 0.01 0.03 -0.08 0.06 0.05 -0.13 -0.07 -0.00 -0.02 -0.06 0.06 -0.01 0.03 0.06 -0.03 -0.13 0.02 -0.00 -0.09 0.16 0.01 -0.13 -0.05 -0.03 -0.20 -0.06 -0.03 -0.11 -0.09 -0.06 0.02 0.02 -0.03 0.03 -0.03 -0.05 0.08 0.02 -0.03 0.01 0.08 0.00 -0.01 -0.02 -0.03 -0.05 -0.03 -0.02 0.01 -0.04 -0.07 -0.10 0.04 -0.02 0.11 -0.08 0.02 -0.07 -0.08 -0.02 -0.01 -0.05 -0.15 -0.18 0.15 -0.02 0.26 -0.12 0.13 0.00 0.01 -0.00 -0.05 -0.08 -0.10 0.06 -0.03 0.06 -0.03 0.12 -0.11 0.10 0.07 0.13 0.08 -0.13 0.09 0.01 0.22 -0.05 -0.10 0.12 -0.18 0.08 0.20 0.08 0.16 0.04 0.23 -0.02 0.32 -0.09 0.11 0.27 0.13 -0.01 -0.00 -0.06 -0.09 -0.15 -0.14 -0.04 -0.06 0.06 -0.02 -0.06 0.05 -0.05 -0.06 0.08 0.03 -0.02 0.03 -0.01 -0.11 0.01 0.03 -0.02 0.03 0.06 0.01 0.01 0.03 -0.00 0.03 -0.07 -0.09 0.08 -0.10 -0.12 0.11 -0.05 -0.08 0.10 -0.10 -0.09 0.04 -0.02 -0.04 0.01 -0.05 -0.05 0.03 -0.02 -0.05 0.01 -0.08 0.01 -0.01 0.01 -0.04 -0.01 -0.05 -0.09 0.07 -0.02 -0.07 0.01 -0.14 0.10 -0.07 0.04 -0.04 -0.01 -0.02 -0.02 -0.01 -0.04 -0.09 0.04 0.09 -0.02 -0.06 -0.09 -0.06 0.12 0.13 0.03 -0.07 0.14 -0.03 -0.13 -0.07 -0.02 0.13 -0.15 -0.08 0.14 0.04 0.02 0.02 0.22 0.06 -0.16 -0.13 -0.02 0.20 0.07 0.05 0.01 -0.02 -0.06 0.04 -0.07 -0.12 0.03 0.11 0.13 -0.09 -0.00 0.09 0.01 -0.09 0.10 0.04 -0.05 0.14 -0.03 0.05 0.02 0.10 -0.04 0.04 -0.04 -0.15 -0.03 -0.01 -0.01 -0.02 -0.07 0.23 0.18 -0.10 0.28 0.18 -0.17 0.22 0.17 -0.13 0.27 0.21 -0.00 -0.00 -0.00 -0.02 0.00 0.00 -0.02 -0.00 -0.00 -0.01 0.01 -0.01 -0.01 -0.00 -0.01 -0.00 0.00 0.01 -0.03 0.00 0.01 -0.02 0.02 -0.04 0.01 -0.00 -0.02 0.01 -0.00 -0.00 -0.02 0.00 0.01 -0.03 -0.05 -0.02 0.04 0.03 0.02 -0.07 -0.06 -0.02 0.04 -0.07 -0.03 0.08 0.03 0.02 -0.08 0.04 0.03 -0.09 -0.01 -0.00 -0.02 -0.09 -0.04 0.10 0.06 0.03 -0.13 -0.01 -0.00 -0.02 -0.01 0.01 -0.02 0.00 0.01 -0.02 -0.01 -0.01 0.04 -0.11 -0.10 0.12 0.03 -0.15 -0.13 -0.32 -0.37 0.22 -0.12 0.14 0.34 -0.00 -0.00 0.10 -0.10 -0.11 0.15 0.06 0.07 0.03 0.15 0.15 -0.04 0.22 0.22 -0.13 0.14 0.12 -0.17 0.20 0.24 0.10 -0.10 0.04 0.00 -0.09 0.01 0.05 -0.09 0.02 0.05 0.01 -0.12 -0.03 0.09 0.05 0.05 -0.09 0.01 0.10 -0.10 -0.01 0.07 0.27 -0.44 -0.20 0.54 0.09 0.05 -0.10 0.08 -0.11 -0.09 0.00 0.08 -0.09 0.02 0.04 -0.08 0.02 0.05 -0.05 0.05 -0.04 -0.11 0.02 0.06 -0.04 0.04 -0.03 -0.09 0.01 0.07 -0.02 0.06 -0.08 -0.03 0.06 -0.08 -0.02 0.04 -0.05 0.02 0.08 -0.15 -0.09 0.01 0.07 -0.10 0.00 0.08 0.04 0.03 -0.02 0.06 0.05 -0.04 0.00 0.06 0.05 0.12 0.14 -0.07 0.07 -0.04 -0.09 -0.05 -0.03 0.01 -0.07 -0.04 0.02 -0.07 -0.08 0.04 0.03 0.02 -0.02 -0.00 -0.03 0.02 0.09 0.03 -0.01 -0.01 0.06 -0.06 -0.01 0.00 0.01 -0.01 -0.00 0.03 -0.01 0.00 0.02 -0.00 -0.01 0.01 0.00 0.01 0.01 -0.01 -0.01 0.04 -0.01 -0.00 0.02 0.01 -0.01 -0.05 0.03 0.03 -0.02 -0.01 0.02 -0.02 -0.02 0.01 0.01 0.04 0.05 -0.08 -0.00 0.00 0.01 0.00 0.02 -0.03 0.07 0.07 -0.14 -0.05 -0.02 0.07 0.02 0.02 -0.02 -0.06 -0.02 0.06 0.01 0.03 -0.06 -0.08 -0.04 0.12 -0.10 -0.05 0.12 0.02 0.03 -0.05 -0.08 0.01 -0.01 0.01 0.00 -0.02 -0.13 -0.13 0.08 -0.23 -0.15 0.01 -0.20 -0.18 0.08 -0.07 -0.17 0.22 0.22 0.11 -0.12 0.28 0.19 -0.16 0.25 0.22 -0.15 -0.01 -0.07 0.02 0.09 0.13 -0.10 -0.29 -0.09 0.05 0.13 -0.27 0.13 0.04 0.04 0.06 -0.03 -0.03 0.25 0.09 0.06 -0.08 -0.01 -0.02 0.12 0.04 0.03 -0.05 -0.04 -0.08 0.29 0.08 0.07 -0.18 0.08 -0.06 -0.27 -0.19 -0.06 0.08 0.08 0.13 0.00 -0.03 -0.05 -0.03 0.03 0.00 -0.08 0.04 0.03 -0.11 -0.03 -0.03 0.02 0.04 0.00 -0.09 -0.01 -0.00 -0.02 0.04 0.03 -0.13 -0.06 -0.03 0.06 -0.05 -0.04 0.07 -0.03 -0.01 -0.00 -0.12 -0.06 0.16 0.04 0.02 -0.11 -0.25 -0.23 -0.15 -0.04 -0.02 0.03 -0.00 0.01 0.00 -0.13 0.04 0.18 0.14 0.20 -0.08 0.02 -0.19 -0.12 -0.07 -0.03 0.04 -0.12 -0.06 0.05 -0.06 -0.05 0.02 0.01 0.03 0.00 -0.05 -0.12 0.07 0.23 0.06 -0.02 -0.09 0.20 -0.06 -0.01 -0.07 0.04 0.03 -0.07 0.07 -0.04 -0.07 0.13 0.01 -0.04 0.03 -0.03 -0.03 0.07 0.04 -0.03 0.04 -0.03 -0.04 0.13 -0.07 0.09 -0.03 0.09 0.06 -0.09 -0.02 -0.06 -0.11 -0.00 0.03 0.02 0.04 0.05 -0.09 0.08 0.06 -0.12 -0.05 -0.00 0.03 0.05 0.08 -0.12 0.00 0.00 -0.01 0.09 0.06 -0.12 -0.08 -0.04 0.09 -0.10 -0.03 0.08 -0.01 -0.02 0.02 -0.17 -0.10 0.22 0.07 0.07 -0.12 -0.12 0.16 0.03 -0.02 -0.02 0.01 0.05 0.07 -0.03 0.33 0.05 -0.21 -0.10 -0.15 0.06 -0.04 0.38 0.02 -0.03 -0.02 0.01 -0.04 -0.02 0.01 -0.03 -0.03 0.01 -0.02 0.02 -0.01 -0.14 -0.20 0.13 0.26 0.05 -0.02 -0.18 0.21 -0.16 -0.02 -0.02 -0.04 0.02 -0.04 0.04 -0.03 0.06 -0.12 0.02 -0.03 0.03 -0.02 0.03 -0.08 0.03 -0.03 0.09 -0.02 0.09 -0.11 -0.04 0.06 -0.03 0.06 -0.05 0.09 -0.05 -0.09 -0.01 0.02 0.02 0.02 -0.04 0.04 0.05 0.03 -0.01 0.09 -0.03 0.01 -0.04 -0.07 0.09 0.06 0.03 -0.06 0.02 0.08 -0.01 0.11 0.01 -0.04 -0.06 -0.07 0.02 -0.09 0.07 -0.10 0.01 0.02 -0.06 -0.13 0.00 0.04 0.09 0.03 -0.09 -0.01 -0.01 -0.00 0.00 0.02 0.06 -0.01 0.39 0.01 -0.33 -0.24 -0.31 0.14 -0.08 0.52 0.14 0.04 0.02 -0.04 0.08 0.07 -0.07 0.05 0.04 -0.04 -0.03 -0.03 0.01 -0.04 -0.03 0.02 -0.04 -0.02 0.03 -0.03 -0.05 -0.01 0.01 0.03 0.02 -0.04 0.03 0.00 0.04 -0.02 0.03 -0.03 0.02 0.00 0.03 -0.01 0.02 -0.05 0.01 -0.02 0.02 -0.05 0.02 0.03 -0.07 -0.01 -0.07 0.00 -0.03 0.04 0.09 0.03 -0.02 -0.04 -0.01 0.02 -0.06 -0.00 -0.05 -0.02 -0.02 0.05 -0.01 0.02 0.05 -0.10 -0.01 -0.03 0.03 0.00 -0.08 -0.02 -0.04 0.03 0.03 0.02 0.10 -0.01 0.03 -0.05 0.07 0.00 0.05 0.07 0.03 -0.02 -0.06 -0.02 -0.02 -0.01 -0.00 0.01 0.01 -0.00 0.04 0.07 -0.02 0.43 0.01 -0.36 -0.24 -0.33 0.15 -0.07 0.55 0.14 0.02 0.01 -0.03 0.07 0.05 -0.05 0.00 0.01 -0.00 -0.03 -0.03 0.01 -0.01 0.04 -0.01 -0.14 -0.04 0.03 0.01 -0.12 0.02 -0.00 0.01 -0.01 -0.01 0.02 -0.02 0.00 0.00 -0.01 -0.01 0.01 -0.01 0.00 0.00 -0.00 -0.01 0.01 -0.01 0.00 -0.00 -0.00 0.01 -0.02 0.01 -0.01 -0.00 0.00 0.00 0.02 0.02 -0.00 -0.01 0.00 0.00 -0.01 0.01 -0.01 -0.02 0.02 0.02 -0.00 -0.01 0.01 -0.02 0.01 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.00 -0.01 0.03 0.01 -0.03 -0.01 -0.00 0.02 0.03 0.01 -0.02 -0.01 -0.02 0.02 0.02 -0.02 0.01 -0.00 -0.01 0.00 -0.03 -0.03 0.03 -0.05 -0.03 0.02 -0.07 -0.04 0.03 -0.02 -0.02 0.08 0.07 0.03 -0.03 0.09 0.07 -0.06 0.09 0.06 -0.06 -0.01 0.02 -0.02 -0.26 -0.42 0.25 0.53 0.10 0.01 -0.32 0.37 -0.31 -0.15 0.12 -0.12 -0.11 0.12 -0.14 -0.11 0.10 -0.14 -0.09 0.07 -0.11 -0.08 0.09 -0.10 -0.09 0.04 0.07 -0.11 -0.01 0.06 -0.01 -0.09 0.08 0.04 -0.01 0.11 -0.17 0.02 0.14 -0.03 -0.02 0.08 0.21 -0.03 -0.08 0.20 -0.05 -0.10 0.14 -0.09 0.05 0.26 -0.05 -0.14 0.15 -0.09 0.01 0.22 -0.04 -0.09 0.08 -0.15 0.17 0.09 -0.10 0.09 0.12 -0.09 0.04 -0.04 -0.21 0.35 0.16 -0.03 -0.08 -0.10 0.02 0.07 -0.03 -0.02 0.02 0.02 0.03 -0.02 0.05 0.04 0.01 0.06 0.05 -0.02 -0.00 0.04 -0.08 -0.03 -0.01 0.01 -0.06 -0.03 0.02 -0.01 -0.00 -0.01 0.02 0.03 -0.00 0.06 0.07 -0.05 -0.01 0.01 -0.04 0.05 0.04 0.06 0.00 0.01 -0.01 0.02 0.01 0.01 -0.01 0.03 -0.02 0.02 0.01 0.01 0.00 0.03 -0.01 0.01 -0.00 0.01 -0.01 -0.00 0.00 0.02 0.02 -0.00 -0.00 0.01 0.02 -0.01 -0.02 0.00 0.00 0.00 -0.00 0.01 -0.01 -0.02 0.00 0.00 -0.02 -0.00 -0.01 0.02 0.02 -0.01 -0.02 0.01 0.01 -0.02 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 -0.02 -0.02 0.05 0.01 0.01 -0.02 -0.01 -0.00 0.03 0.01 -0.00 -0.03 -0.01 0.01 -0.00 0.23 0.16 -0.12 -0.04 -0.05 0.08 -0.19 -0.10 -0.07 -0.25 -0.17 0.09 0.07 -0.08 0.42 -0.11 -0.04 0.05 -0.20 -0.17 0.12 -0.17 -0.19 0.11 -0.09 -0.07 -0.00 -0.23 -0.12 0.18 -0.13 -0.03 0.18 -0.18 -0.29 -0.29 0.01 -0.03 -0.05 -0.12 -0.02 -0.15 0.06 -0.17 -0.01 -0.12 -0.06 -0.18 0.01 -0.21 -0.02 -0.06 -0.02 0.08 0.09 -0.04 -0.02 -0.12 -0.12 0.07 0.02 -0.16 -0.14 0.14 0.21 0.13 0.00 -0.02 0.05 -0.03 0.23 0.02 0.14 0.12 0.09 -0.12 0.10 -0.04 -0.09 0.35 0.01 0.09 -0.02 0.03 0.22 0.12 0.16 -0.07 -0.03 -0.02 -0.23 0.11 -0.10 0.17 -0.14 0.03 -0.14 -0.14 -0.03 0.07 0.19 0.10 -0.08 -0.14 -0.02 0.05 0.03 -0.03 0.00 0.00 0.01 -0.00 -0.01 -0.03 -0.05 -0.04 0.02 0.01 0.03 0.08 -0.03 -0.01 0.01 -0.11 -0.07 0.05 -0.01 -0.03 -0.01 -0.02 -0.02 0.00 -0.04 -0.02 0.03 -0.05 -0.01 0.04 -0.03 -0.08 -0.05 0.13 0.04 -0.19 0.10 0.03 -0.13 0.08 0.07 -0.15 0.08 0.12 -0.13 0.05 0.08 -0.19 0.07 -0.17 0.23 0.06 -0.16 0.28 0.11 0.03 0.10 -0.01 -0.08 0.09 0.07 -0.15 0.10 -0.03 -0.11 0.23 -0.10 0.00 -0.09 -0.12 0.08 -0.09 -0.10 0.05 -0.06 -0.12 0.03 -0.08 -0.14 0.13 -0.06 -0.20 0.08 -0.14 -0.17 0.11 -0.01 -0.03 0.05 -0.03 -0.14 0.13 -0.06 -0.20 0.12 0.06 -0.07 -0.02 -0.03 -0.19 0.04 0.22 -0.03 -0.02 0.02 0.02 0.01 -0.01 0.07 0.01 -0.03 0.02 -0.02 0.00 -0.01 0.05 -0.05 0.01 0.00 -0.01 0.06 0.05 -0.03 -0.01 0.00 0.01 0.01 0.01 0.00 0.02 0.00 -0.01 0.04 0.01 -0.02 0.02 0.05 0.04 0.02 0.04 0.02 0.04 0.11 -0.13 0.01 -0.00 0.18 -0.04 0.30 -0.23 0.17 -0.04 0.35 -0.04 -0.21 0.19 -0.06 0.01 -0.29 0.15 -0.03 0.13 -0.08 0.17 -0.08 -0.10 -0.20 -0.09 -0.07 -0.13 -0.07 -0.01 0.04 0.02 0.03 0.02 0.02 -0.02 0.01 -0.02 -0.03 0.05 0.04 0.02 -0.03 0.01 0.06 0.02 0.02 -0.00 -0.02 -0.02 -0.05 0.01 -0.04 0.03 -0.06 0.02 -0.01 -0.04 -0.04 0.02 0.04 0.02 -0.21 -0.43 -0.20 -0.01 0.00 0.00 0.01 0.01 -0.01 0.05 0.01 -0.04 -0.01 -0.02 0.01 -0.01 0.05 -0.00 -0.01 0.00 0.00 -0.04 -0.01 0.01 0.02 0.01 -0.03 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 0.01 -0.06 -0.00 -0.08 0.04 0.04 -0.08 -0.09 -0.08 0.02 0.21 -0.11 -0.17 -0.32 -0.20 0.13 0.14 0.10 0.32 0.02 0.22 -0.08 0.02 0.10 0.08 0.12 -0.03 -0.12 0.01 0.14 0.09 0.07 0.11 0.01 -0.02 -0.16 0.01 -0.11 -0.07 -0.07 0.05 -0.07 0.02 -0.04 -0.24 0.08 -0.11 0.00 0.02 -0.16 -0.07 -0.11 0.05 0.05 -0.04 0.12 -0.08 0.09 -0.19 0.06 0.07 0.13 0.14 -0.09 -0.02 -0.09 -0.12 -0.10 -0.06 -0.09 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.03 -0.01 0.00 -0.02 -0.01 0.01 0.00 -0.02 0.02 -0.01 -0.01 -0.01 0.19 0.12 -0.07 -0.14 -0.07 0.13 0.00 -0.00 0.00 0.02 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 -0.13 0.16 -0.14 0.04 0.21 0.09 -0.08 -0.13 -0.13 0.12 0.24 0.40 0.05 -0.34 0.01 -0.02 0.10 0.01 -0.11 -0.26 0.05 0.28 0.17 -0.10 0.01 -0.25 -0.22 -0.21 -0.01 0.06 0.04 -0.03 -0.10 -0.03 0.05 0.04 0.03 0.03 0.06 -0.05 0.02 0.01 -0.07 0.07 0.09 0.01 -0.01 0.05 0.02 0.02 0.09 0.01 0.01 -0.06 -0.10 0.01 0.03 0.01 -0.07 0.09 0.04 0.01 -0.14 0.06 0.06 -0.02 0.07 0.06 -0.06 -0.01 -0.01 0.00 0.00 0.01 0.00 0.01 0.01 0.02 0.01 0.03 -0.01 -0.00 0.01 -0.02 0.01 -0.00 0.00 -0.03 -0.03 0.01 0.04 0.02 -0.03 0.00 0.01 -0.01 0.01 0.01 -0.01 0.01 0.00 -0.02 0.00 0.03 0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.02 -0.00 -0.01 -0.02 -0.01 0.01 0.01 0.00 0.02 -0.00 0.01 -0.01 0.01 0.01 0.00 0.01 -0.00 -0.01 0.00 0.01 0.00 0.00 0.00 0.00 0.08 0.04 -0.14 -0.11 -0.06 0.15 -0.08 -0.05 0.13 0.23 0.11 -0.38 0.07 0.05 -0.13 -0.20 -0.12 0.29 -0.00 0.00 0.00 -0.14 -0.09 0.23 0.18 0.13 -0.31 0.02 0.02 -0.03 -0.01 -0.01 0.01 0.01 -0.02 -0.00 -0.03 0.02 -0.00 0.01 -0.02 -0.04 0.02 -0.04 -0.11 0.06 -0.06 0.00 -0.01 -0.01 -0.09 0.01 0.04 0.01 -0.30 -0.15 0.10 0.22 0.15 -0.22 0.02 -0.02 0.04 0.03 -0.11 0.01 0.07 0.01 0.11 0.03 -0.02 0.04 -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 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.02 -0.03 -0.01 -0.01 0.03 -0.02 -0.00 0.03 0.06 0.05 -0.09 0.03 0.01 -0.03 -0.04 -0.03 0.08 -0.00 -0.00 0.01 -0.04 -0.01 0.05 0.06 0.02 -0.08 -0.01 -0.01 0.01 -0.00 0.00 0.01 0.02 -0.01 0.00 -0.01 -0.00 -0.02 -0.03 0.00 -0.00 -0.04 0.00 -0.00 -0.05 -0.01 -0.00 -0.01 -0.01 0.03 -0.03 -0.02 0.00 0.62 0.34 -0.15 -0.43 -0.14 0.45 0.04 -0.01 -0.01 0.05 -0.04 -0.04 0.07 -0.01 0.00 0.04 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 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.01 0.04 0.03 0.01 -0.04 0.02 0.01 -0.03 -0.06 -0.03 0.10 -0.02 -0.01 0.04 0.05 0.03 -0.07 0.00 -0.00 -0.00 0.03 0.02 -0.05 -0.05 -0.04 0.09 -0.00 -0.01 0.00 0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.06 0.11 -0.01 0.00 -0.12 -0.13 -0.04 -0.19 -0.41 0.17 -0.32 0.05 -0.00 -0.14 -0.19 -0.09 0.11 0.01 -0.08 0.07 0.03 -0.12 0.07 0.04 0.11 -0.05 0.14 0.17 -0.34 0.02 0.26 0.04 0.40 0.13 -0.05 0.17 -0.00 -0.04 0.09 0.02 0.02 0.05 -0.04 -0.05 0.02 0.05 0.08 -0.00 -0.11 -0.05 -0.04 0.00 0.02 -0.05 -0.02 0.05 -0.09 0.08 0.04 0.02 0.04 -0.05 -0.02 0.02 0.03 -0.03 0.01 -0.05 0.08 0.02 -0.01 -0.05 0.03 0.03 -0.08 0.07 0.04 -0.14 0.09 0.04 -0.17 0.06 0.05 -0.12 0.09 0.08 -0.21 -0.13 -0.05 0.17 0.20 0.11 -0.31 0.14 0.10 -0.25 -0.28 -0.13 0.42 -0.13 -0.10 0.22 0.21 -0.16 0.10 0.01 0.02 0.02 0.02 -0.02 0.01 0.01 -0.04 -0.04 0.04 -0.06 0.04 0.03 -0.03 0.01 -0.02 -0.00 -0.04 -0.06 0.05 -0.08 -0.02 -0.09 -0.05 -0.01 0.03 0.02 -0.02 0.06 0.03 -0.04 0.02 -0.01 -0.01 0.02 0.01 0.01 -0.01 0.03 0.01 0.00 0.01 -0.01 -0.01 0.01 0.00 0.03 -0.01 -0.04 -0.00 -0.02 -0.00 -0.01 -0.01 -0.01 0.00 -0.01 0.02 0.01 0.01 0.01 -0.01 0.00 0.02 0.01 -0.00 -0.01 -0.01 0.01 -0.01 -0.01 0.01 0.01 0.01 -0.02 0.01 0.00 -0.02 -0.02 -0.02 0.02 -0.00 -0.00 -0.00 0.02 0.01 -0.02 -0.01 -0.00 0.01 0.03 0.01 -0.04 -0.01 -0.00 0.01 -0.03 -0.01 0.04 -0.01 -0.01 0.01 -0.00 -0.01 0.01 -0.03 -0.03 -0.11 -0.10 0.11 -0.05 -0.04 0.15 0.12 -0.20 0.22 -0.16 -0.10 0.15 -0.01 0.08 0.06 0.20 0.12 -0.31 0.43 0.07 0.42 0.23 0.06 -0.13 -0.06 0.08 -0.27 -0.11 0.11 -0.08 0.10 0.08 -0.16 -0.05 0.18 -0.15 0.09 -0.06 0.07 0.09 0.03 -0.06 0.04 -0.34 0.46 0.03 -0.35 -0.07 -0.17 -0.09 0.07 -0.01 0.13 0.18 0.05 0.08 -0.13 0.00 0.12 -0.12 -0.02 0.14 -0.19 -0.10 -0.02 0.10 0.03 0.01 -0.01 0.01 -0.02 -0.04 0.02 -0.00 -0.02 0.08 0.00 -0.06 0.05 -0.02 -0.03 0.05 -0.02 -0.06 0.08 0.09 0.01 -0.05 -0.06 -0.05 0.16 -0.08 -0.03 0.11 0.15 0.05 -0.15 0.04 0.03 -0.11 -0.16 0.14 0.01 0.01 0.01 0.02 0.01 -0.02 0.01 -0.01 -0.03 -0.02 0.03 -0.04 0.03 0.02 -0.04 0.01 -0.01 -0.01 -0.04 -0.02 0.06 -0.08 -0.01 -0.08 -0.04 -0.01 0.02 0.01 -0.02 0.05 0.02 -0.03 0.01 -0.01 -0.01 0.01 0.00 -0.11 -0.01 -0.01 -0.13 0.09 0.04 0.18 -0.03 -0.02 -0.11 -0.07 -0.08 0.40 -0.12 0.01 -0.01 0.38 0.17 0.29 0.16 0.06 -0.13 -0.08 0.01 -0.07 -0.13 -0.09 -0.22 -0.23 -0.12 0.12 0.16 0.10 -0.01 -0.06 -0.04 -0.03 -0.02 -0.05 0.04 0.01 -0.04 0.02 -0.05 -0.08 -0.01 0.05 -0.04 -0.03 -0.00 -0.12 -0.05 0.02 0.06 0.14 0.02 -0.07 0.00 0.10 -0.10 -0.08 0.02 0.15 -0.06 -0.08 0.05 0.16 0.06 0.08 0.00 -0.00 -0.03 -0.02 0.02 -0.01 -0.03 0.03 0.04 -0.05 0.05 -0.03 -0.02 0.02 0.01 0.02 0.01 0.04 -0.02 -0.10 0.11 0.04 0.10 0.02 0.00 -0.03 -0.01 -0.00 -0.06 -0.01 0.01 -0.02 0.03 0.00 -0.06 -0.03 -0.16 -0.09 0.40 0.03 0.01 0.18 -0.07 -0.14 0.13 0.18 0.08 -0.36 0.16 0.09 -0.38 0.02 0.06 -0.01 -0.08 -0.08 -0.07 0.11 0.08 0.16 -0.04 -0.18 0.06 -0.12 0.13 -0.10 0.00 -0.06 0.06 -0.01 0.00 0.00 -0.01 0.01 0.03 -0.05 -0.02 0.06 -0.05 0.01 0.05 -0.04 -0.01 0.06 -0.06 -0.02 0.09 0.04 0.04 -0.09 -0.12 -0.06 0.16 -0.08 -0.06 0.14 0.11 0.08 -0.21 0.09 0.04 -0.11 -0.15 0.04 0.03 -0.00 0.00 0.02 0.01 -0.01 0.00 0.01 -0.02 -0.02 0.03 -0.03 0.02 0.01 -0.02 -0.00 -0.01 -0.01 -0.03 0.01 0.06 -0.07 -0.02 -0.05 -0.02 -0.00 0.02 0.01 -0.00 0.03 0.01 -0.01 0.01 -0.01 -0.00 0.02 0.01 -0.05 0.01 0.03 0.02 0.00 -0.00 0.00 -0.01 -0.01 -0.11 0.04 0.04 -0.10 0.03 0.05 0.05 0.04 -0.03 0.00 -0.03 -0.06 -0.05 -0.06 -0.02 0.01 0.07 0.03 -0.06 0.03 -0.00 0.26 -0.16 0.07 -0.01 -0.12 -0.10 0.08 0.14 0.05 -0.09 -0.15 -0.06 -0.14 0.10 -0.07 -0.00 0.13 0.10 -0.16 0.12 -0.03 -0.20 0.16 -0.13 0.06 -0.20 0.14 0.09 -0.11 0.18 -0.17 0.19 -0.15 0.23 -0.12 0.04 0.47 -0.24 0.10 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 0.01 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 -0.00 -0.00 -0.00 0.02 0.04 0.03 0.04 -0.18 0.53 0.01 0.27 -0.48 -0.02 0.09 -0.37 -0.03 -0.20 0.32 -0.01 0.01 -0.14 -0.03 -0.09 0.10 -0.01 -0.04 0.10 0.01 0.03 -0.11 0.01 0.02 0.01 0.01 0.03 0.02 -0.01 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.01 -0.01 0.00 0.01 0.00 0.00 -0.00 0.01 0.01 -0.00 0.00 0.02 0.00 -0.01 -0.00 -0.00 0.00 -0.00 0.06 0.14 0.07 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.01 0.01 -0.01 0.00 0.01 -0.01 0.01 -0.00 0.00 -0.02 0.00 -0.01 -0.01 -0.02 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.01 0.00 0.02 0.00 -0.00 -0.26 -0.06 -0.18 0.11 -0.29 -0.03 -0.12 0.31 0.03 -0.24 -0.12 -0.18 0.28 0.07 0.20 0.06 -0.27 -0.14 0.03 0.12 0.07 0.08 0.30 0.13 0.20 0.23 0.17 -0.10 -0.22 -0.16 -0.03 -0.11 -0.07 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 -0.01 0.01 0.02 0.02 -0.01 0.04 0.04 -0.04 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.01 0.00 0.00 0.00 -0.00 0.00 -0.03 -0.03 -0.04 0.16 -0.14 0.01 -0.17 -0.04 0.04 -0.25 0.18 -0.01 0.18 0.02 -0.06 0.25 -0.07 0.12 -0.20 -0.02 0.03 -0.06 -0.12 -0.01 -0.04 -0.04 -0.00 0.03 0.10 0.05 0.20 0.24 -0.18 -0.04 -0.05 0.07 -0.08 -0.05 0.05 0.07 0.01 -0.08 -0.09 -0.08 0.15 0.02 0.02 -0.10 -0.08 -0.05 0.07 -0.04 -0.03 0.08 0.11 0.03 -0.13 0.04 0.09 -0.18 -0.09 -0.03 0.20 -0.00 0.00 -0.02 0.31 0.40 -0.07 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.02 -0.01 0.01 0.01 0.01 -0.00 0.00 -0.02 -0.01 -0.01 -0.01 0.01 0.04 0.05 -0.02 0.06 0.05 -0.06 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 -0.05 0.03 0.05 -0.06 -0.11 -0.15 0.07 -0.06 -0.04 0.04 0.12 0.24 -0.12 0.06 0.05 -0.11 -0.13 -0.11 0.24 -0.07 0.02 -0.00 -0.03 -0.03 -0.09 -0.08 0.05 0.07 0.01 -0.09 0.04 0.42 0.04 -0.01 -0.10 0.04 0.01 -0.10 -0.04 -0.05 0.09 0.08 -0.00 -0.15 -0.07 -0.03 0.07 0.04 0.01 -0.12 0.06 0.04 -0.07 -0.07 -0.08 0.19 -0.15 -0.04 0.18 0.12 0.09 -0.15 -0.02 -0.02 0.00 -0.04 0.22 0.47 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 0.02 0.02 -0.01 -0.06 -0.07 0.04 -0.07 -0.07 0.07 -0.00 -0.00 0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.03 -0.02 0.03 0.02 0.00 -0.01 -0.05 -0.03 0.07 0.00 0.00 0.00 -0.02 -0.01 0.03 -0.02 -0.02 0.05 -0.03 -0.03 0.06 -0.00 0.00 -0.01 0.01 0.00 -0.01 -0.02 -0.01 0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 0.01 -0.01 0.01 -0.01 0.11 0.08 -0.09 -0.34 -0.44 0.21 -0.43 -0.45 0.45 -0.01 0.01 0.01 -0.00 0.02 0.00 0.01 0.00 -0.02 -0.01 0.04 0.02 0.01 -0.01 0.01 -0.02 0.01 -0.02 -0.00 0.02 -0.01 0.03 -0.02 0.01 0.01 -0.02 0.01 -0.03 -0.01 -0.03 0.01 0.04 -0.01 0.01 0.01 -0.00 -0.00 -0.01 -0.01 0.01 -0.00 -0.01 -0.05 -0.01 0.06 -0.03 -0.04 0.04 -0.03 -0.01 0.08 0.06 0.01 -0.10 -0.25 -0.12 0.38 0.07 0.05 -0.08 -0.26 -0.15 0.42 -0.04 0.01 0.02 -0.10 -0.10 0.22 -0.08 -0.08 0.19 -0.29 -0.14 0.41 0.07 0.02 -0.08 -0.14 0.04 0.05 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 0.05 0.07 -0.04 0.05 0.05 -0.06 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.30 -0.13 -0.05 -0.11 0.16 0.03 -0.21 -0.02 -0.04 0.05 -0.10 -0.03 0.12 0.03 0.02 -0.06 0.45 0.15 -0.40 -0.22 -0.15 -0.04 0.01 0.00 -0.03 0.02 0.01 0.37 -0.16 -0.03 -0.13 0.05 0.05 0.02 -0.05 -0.04 0.05 0.03 0.01 -0.01 -0.08 -0.01 -0.01 0.02 -0.05 0.05 0.03 0.06 -0.02 0.03 -0.03 -0.04 0.04 -0.03 0.07 -0.10 0.06 0.09 -0.06 0.09 -0.04 0.04 -0.04 0.03 -0.04 0.03 -0.19 0.08 0.03 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.01 0.03 0.01 -0.00 0.01 -0.02 -0.01 -0.04 0.01 0.01 -0.04 0.02 0.02 0.05 0.06 0.02 -0.01 -0.08 -0.05 -0.03 -0.02 -0.01 0.00 0.03 0.02 -0.01 0.00 -0.00 0.12 -0.09 0.06 0.02 0.08 -0.04 -0.02 -0.01 -0.10 -0.01 0.10 0.04 -0.03 -0.04 0.11 -0.06 -0.06 -0.07 -0.10 -0.11 0.18 0.13 -0.03 -0.03 -0.35 -0.02 0.35 -0.40 -0.08 0.33 -0.08 -0.15 0.29 -0.08 0.02 0.02 0.36 -0.18 0.10 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 -0.01 0.00 0.01 0.02 0.05 -0.02 0.05 0.05 -0.06 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.02 -0.07 -0.02 -0.03 0.05 -0.02 -0.01 0.06 0.03 0.01 -0.04 0.03 0.00 -0.04 -0.04 -0.06 0.01 0.01 0.05 0.06 0.02 0.01 0.01 -0.00 -0.03 -0.01 0.00 -0.01 0.02 -0.08 0.11 -0.17 0.05 -0.02 -0.09 0.09 0.05 -0.05 -0.01 -0.08 -0.01 0.00 -0.01 -0.03 0.05 0.03 0.06 -0.04 -0.02 0.08 0.01 0.07 -0.11 -0.18 -0.24 0.46 -0.18 -0.22 0.52 -0.23 -0.08 0.26 -0.08 -0.07 0.16 -0.02 0.06 -0.15 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 0.03 -0.01 0.02 0.03 -0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.00 0.02 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.01 -0.00 0.02 0.02 -0.03 -0.02 -0.02 0.03 0.02 0.01 -0.03 -0.10 -0.03 0.16 -0.02 -0.01 0.02 0.15 0.09 -0.25 0.00 0.00 -0.01 -0.17 -0.10 0.27 0.09 0.07 -0.16 -0.03 -0.01 0.04 0.00 -0.00 0.01 0.01 0.00 0.00 0.08 -0.01 -0.03 -0.15 0.03 -0.18 -0.16 0.04 -0.16 -0.23 0.07 -0.24 -0.14 0.04 -0.14 0.11 -0.18 0.01 0.18 -0.20 0.02 0.14 -0.21 -0.01 -0.02 0.13 0.19 -0.06 0.20 0.26 -0.04 0.13 0.18 -0.04 0.13 0.16 0.18 0.42 -0.13 0.11 0.12 0.21 0.01 0.07 0.30 -0.02 -0.13 -0.09 -0.05 -0.07 -0.11 -0.00 -0.07 -0.07 -0.08 0.04 -0.10 -0.13 -0.07 -0.00 0.03 -0.14 -0.06 -0.03 -0.09 0.03 0.00 -0.03 0.08 0.01 0.01 -0.03 -0.03 -0.02 0.02 0.02 0.02 -0.02 -0.12 -0.05 0.18 -0.04 -0.01 0.01 0.10 0.06 -0.18 0.00 -0.01 0.02 -0.11 -0.05 0.18 0.11 0.11 -0.25 0.04 0.02 -0.04 0.03 0.01 -0.03 0.34 0.22 0.25 -0.01 0.00 0.00 0.02 -0.01 0.02 0.01 -0.01 0.02 0.03 -0.01 0.03 0.01 -0.01 0.01 -0.01 0.02 -0.00 -0.02 0.01 0.00 -0.03 0.02 0.01 0.00 -0.02 -0.02 0.01 -0.02 -0.03 0.01 -0.01 -0.02 0.00 -0.01 -0.01 0.05 0.05 0.37 0.06 0.14 -0.21 0.05 0.20 -0.12 -0.02 -0.07 0.04 -0.06 -0.08 0.02 0.04 -0.06 0.08 -0.03 -0.07 0.04 -0.07 -0.04 -0.02 0.02 -0.07 -0.05 -0.01 -0.01 -0.08 -0.01 0.05 -0.10 0.03 0.01 -0.04 -0.01 -0.02 0.03 0.03 -0.01 -0.05 -0.10 -0.05 0.17 -0.01 -0.00 0.04 0.21 0.13 -0.34 -0.00 0.01 -0.03 -0.22 -0.17 0.40 0.13 0.06 -0.17 -0.07 -0.02 0.08 -0.03 -0.01 0.05 -0.06 0.27 -0.04 -0.02 0.01 0.01 0.04 -0.01 0.06 0.04 -0.01 0.04 0.08 -0.02 0.07 0.04 -0.01 0.03 -0.03 0.05 -0.00 -0.05 0.04 0.01 -0.05 0.05 0.02 0.00 -0.04 -0.06 0.02 -0.06 -0.08 0.02 -0.04 -0.05 0.01 -0.03 -0.03 -0.03 -0.06 -0.08 -0.03 -0.05 0.03 -0.01 -0.06 -0.00 0.01 0.03 -0.00 0.02 0.03 0.01 -0.01 0.02 -0.01 0.02 0.01 -0.00 0.03 0.02 0.01 -0.01 0.03 0.02 0.01 0.01 0.02 -0.00 -0.00 0.02 0.03 0.03 -0.05 -0.03 -0.03 0.05 0.04 0.03 -0.06 -0.19 -0.07 0.30 -0.04 -0.02 0.05 0.24 0.15 -0.40 -0.00 -0.00 -0.00 -0.30 -0.17 0.46 0.22 0.15 -0.38 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.08 -0.01 -0.02 0.00 0.01 0.03 -0.01 0.04 0.04 -0.01 0.03 0.06 -0.02 0.06 0.03 -0.01 0.03 -0.02 0.03 -0.00 -0.04 0.02 0.01 -0.05 0.04 0.02 0.00 -0.03 -0.05 0.02 -0.05 -0.07 0.01 -0.03 -0.04 0.01 -0.02 -0.02 0.03 -0.04 0.03 -0.12 0.05 -0.01 -0.10 0.05 -0.01 0.06 -0.03 -0.01 0.06 -0.02 -0.00 -0.17 -0.09 0.03 -0.06 0.12 0.11 0.03 0.04 0.01 -0.01 -0.03 -0.02 0.06 -0.03 -0.01 0.15 -0.03 -0.09 -0.01 0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.04 0.00 -0.05 -0.01 0.07 -0.03 -0.02 -0.02 -0.07 -0.04 0.08 0.01 -0.02 0.03 -0.03 0.05 -0.03 -0.00 0.05 -0.11 0.07 0.02 -0.08 0.05 0.00 -0.03 0.83 -0.31 0.03 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 0.02 -0.00 -0.00 0.00 0.01 0.00 -0.01 0.00 0.00 -0.00 -0.00 -0.00 0.03 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 -0.02 -0.01 -0.02 0.01 -0.00 -0.05 0.05 0.06 -0.09 0.01 0.00 -0.02 -0.17 -0.10 0.24 -0.02 -0.03 0.07 -0.36 -0.21 0.58 -0.02 -0.02 0.06 -0.06 -0.05 0.11 0.24 0.10 -0.32 0.21 0.10 -0.30 -0.04 -0.01 0.02 -0.10 -0.10 -0.07 0.01 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.02 0.00 -0.02 0.01 -0.00 0.02 0.00 0.01 -0.00 0.00 0.02 -0.01 0.01 0.01 -0.01 0.00 0.01 0.01 -0.01 0.01 0.03 -0.01 0.00 -0.00 -0.00 -0.02 -0.02 -0.01 -0.02 -0.01 -0.06 -0.01 -0.01 0.05 -0.05 -0.02 0.02 0.00 -0.01 -0.03 0.02 0.01 -0.06 -0.05 0.04 0.03 -0.06 -0.09 0.02 0.02 0.01 0.00 0.03 0.02 -0.01 -0.00 -0.00 0.01 0.08 0.03 0.01 -0.00 -0.02 0.01 0.01 -0.02 0.00 -0.02 0.00 -0.05 -0.02 0.07 -0.00 0.00 0.01 -0.04 -0.04 0.12 -0.01 0.00 0.01 0.04 -0.02 -0.01 0.03 0.02 -0.04 0.05 0.05 -0.06 -0.01 0.00 0.00 0.39 0.80 0.36 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 -0.01 -0.00 0.01 -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.01 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 0.07 0.05 -0.11 -0.02 -0.03 0.02 -0.04 -0.04 0.06 -0.42 -0.12 0.62 0.03 0.03 -0.06 0.11 0.05 -0.16 -0.02 -0.01 0.04 0.20 0.10 -0.30 -0.21 -0.07 0.28 0.16 0.11 -0.21 -0.00 -0.00 0.02 0.03 -0.10 -0.02 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.01 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.04 -0.01 -0.00 -0.03 -0.02 -0.08 -0.01 0.07 0.02 -0.05 -0.04 0.06 -0.22 -0.03 0.17 -0.03 -0.02 0.06 -0.08 0.06 0.03 0.13 -0.00 -0.07 0.20 0.12 -0.38 0.21 0.14 -0.32 -0.27 -0.23 0.59 -0.00 -0.00 0.00 -0.13 0.08 -0.02 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 0.01 0.02 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.01 0.00 -0.01 -0.01 0.02 0.01 -0.02 -0.01 -0.00 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.02 -0.01 -0.01 -0.00 0.02 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.10 -0.04 -0.01 -0.14 -0.09 -0.10 -0.06 0.19 0.07 0.01 -0.00 -0.06 -0.14 0.06 -0.23 0.05 0.02 -0.04 -0.07 0.29 -0.21 0.14 -0.13 0.13 -0.20 -0.10 0.17 -0.14 -0.10 0.30 0.40 0.01 -0.24 -0.01 -0.01 0.02 -0.37 0.26 -0.05 0.00 -0.01 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.02 -0.03 0.01 -0.03 0.01 0.00 0.02 -0.01 0.01 0.00 0.01 0.04 -0.01 0.00 0.01 -0.01 0.01 0.00 0.01 -0.01 0.02 0.03 -0.02 -0.01 -0.01 -0.01 -0.01 -0.03 -0.01 0.00 0.01 0.02 -0.04 -0.01 0.04 0.02 0.01 -0.01 0.01 0.00 -0.01 -0.00 -0.00 0.03 0.02 0.01 0.01 -0.03 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 -0.00 -0.12 0.04 0.02 -0.04 0.01 0.01 -0.04 0.00 -0.02 -0.02 -0.15 -0.08 -0.05 0.20 -0.11 0.08 0.09 0.09 -0.12 0.01 -0.09 0.09 -0.04 0.04 -0.28 -0.16 -0.19 -0.05 0.35 0.07 0.11 0.00 0.09 -0.03 0.06 -0.05 0.58 -0.38 0.09 -0.00 0.00 -0.01 0.00 0.01 0.02 -0.01 -0.01 -0.05 0.06 -0.02 0.06 -0.00 -0.03 -0.03 -0.01 -0.01 -0.02 0.07 -0.10 0.04 -0.02 0.11 0.01 0.00 -0.00 0.01 -0.01 0.03 0.03 -0.00 -0.01 -0.03 -0.01 0.02 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.00 0.00 0.02 0.01 0.00 -0.02 0.00 -0.01 -0.01 -0.01 0.02 -0.01 0.03 -0.01 0.00 -0.00 0.04 0.02 0.03 -0.01 -0.04 -0.00 -0.01 0.01 -0.01 0.01 -0.01 0.01 -0.07 0.05 -0.01 -0.02 -0.01 -0.05 0.03 0.02 0.07 -0.01 -0.03 -0.10 0.20 -0.07 0.18 0.02 -0.08 -0.06 -0.05 -0.04 -0.10 0.32 -0.48 0.21 -0.16 0.60 0.06 0.02 0.02 0.07 -0.07 0.17 0.21 -0.06 -0.03 -0.08 -0.06 0.04 -0.06 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -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 0.03 -0.02 -0.00 0.01 0.02 0.01 -0.00 -0.03 -0.01 -0.01 -0.02 -0.01 -0.00 0.05 0.02 0.01 0.02 0.01 -0.02 -0.04 -0.00 0.00 0.00 0.00 -0.10 -0.02 -0.07 -0.05 0.11 0.01 0.01 0.02 0.01 -0.00 0.00 0.00 -0.11 0.06 -0.02 -0.02 -0.02 -0.06 0.11 -0.07 -0.00 0.07 0.02 0.34 -0.33 0.09 -0.25 0.16 0.10 0.36 -0.02 -0.01 -0.03 0.07 -0.12 0.05 -0.05 0.16 0.01 -0.09 0.07 0.04 0.13 -0.22 -0.29 0.11 0.16 0.28 0.09 0.08 0.33 0.01 0.00 -0.00 -0.02 0.04 0.02 -0.03 -0.02 -0.01 0.01 -0.01 -0.00 0.01 0.00 0.00 -0.04 -0.03 -0.02 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.00 0.01 -0.01 -0.00 0.15 -0.01 0.01 0.03 0.07 0.04 0.02 -0.12 -0.05 -0.03 -0.09 -0.05 -0.05 0.24 0.05 0.00 0.06 0.02 0.02 -0.16 0.04 0.01 0.02 0.02 -0.31 -0.07 -0.19 -0.25 0.45 0.01 0.08 0.17 0.08 -0.01 0.00 0.03 -0.49 0.20 -0.11 0.01 0.00 0.02 -0.03 0.01 -0.00 -0.01 -0.00 -0.08 0.09 -0.02 0.06 -0.05 -0.02 -0.11 0.00 0.01 0.01 -0.03 0.04 -0.01 0.01 -0.05 0.00 0.03 -0.02 -0.01 -0.05 0.07 0.11 -0.05 -0.04 -0.08 -0.03 -0.05 -0.13 0.00 0.01 0.01 -0.02 -0.01 -0.00 0.03 -0.00 0.00 0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.02 -0.02 -0.01 -0.01 -0.05 -0.02 0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.12 0.04 -0.11 -0.03 -0.06 0.06 -0.04 0.01 0.03 -0.02 0.00 -0.23 0.31 -0.15 -0.09 -0.05 -0.07 0.34 -0.06 0.24 0.03 0.04 0.04 0.34 -0.08 0.24 -0.17 0.09 -0.10 0.17 0.38 0.25 0.05 0.03 0.04 -0.01 -0.30 -0.10 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.00 -0.00 -0.01 0.00 -0.01 0.01 0.01 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.02 0.00 0.00 -0.03 0.00 -0.02 0.00 -0.01 0.03 -0.05 -0.08 0.04 0.02 0.04 0.02 0.02 0.07 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.03 0.01 0.00 0.00 0.00 0.00 0.02 -0.01 0.01 0.01 -0.02 0.00 0.00 0.01 0.01 -0.00 0.01 -0.00 0.02 -0.02 0.00 -0.01 -0.01 -0.03 -0.03 -0.08 0.05 0.42 -0.01 0.25 0.11 0.17 -0.07 -0.24 0.21 -0.30 -0.00 0.00 -0.01 0.01 0.02 -0.02 -0.03 -0.02 0.02 0.05 0.09 -0.02 -0.11 -0.14 0.15 -0.20 0.16 0.39 0.05 -0.36 -0.30 -0.00 -0.00 -0.00 -0.01 -0.03 -0.01 0.01 0.03 0.02 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.00 0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.05 0.02 -0.02 0.01 0.02 0.01 0.00 0.02 -0.02 -0.02 0.07 0.01 -0.04 0.16 -0.01 -0.05 0.02 -0.02 -0.30 -0.03 -0.07 0.03 -0.05 -0.00 -0.21 0.09 -0.08 -0.16 0.21 -0.05 -0.03 -0.19 -0.09 0.12 -0.11 0.05 -0.04 0.09 0.01 -0.01 0.05 -0.01 -0.03 0.05 0.08 -0.01 -0.02 -0.21 0.30 -0.06 0.25 -0.08 -0.07 -0.21 0.05 -0.09 0.01 0.09 -0.11 0.02 0.07 -0.12 -0.01 -0.07 0.03 -0.06 0.10 -0.26 -0.32 0.09 0.12 0.24 0.10 -0.02 0.19 -0.01 -0.00 -0.00 -0.01 -0.05 -0.02 0.02 0.04 0.02 -0.00 0.01 0.00 -0.00 -0.01 -0.00 0.02 0.03 0.01 -0.00 0.00 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.10 -0.01 -0.04 -0.01 0.02 0.01 0.01 -0.01 -0.00 -0.02 0.06 0.01 -0.08 0.22 -0.02 -0.07 0.00 -0.04 -0.13 -0.03 -0.07 0.03 -0.02 0.01 -0.18 0.08 -0.07 -0.20 0.21 -0.05 0.03 -0.02 0.01 0.14 -0.10 0.05 0.07 0.09 0.04 0.03 -0.02 -0.00 0.00 -0.08 -0.05 0.17 0.01 0.29 -0.23 0.14 -0.27 -0.05 0.18 0.05 -0.05 0.09 -0.01 -0.10 0.09 -0.01 -0.08 0.11 0.02 0.05 -0.05 0.07 -0.07 0.29 0.27 -0.02 -0.16 -0.33 -0.11 0.14 -0.08 0.01 0.01 0.01 -0.02 0.02 0.00 0.02 -0.02 -0.01 0.01 -0.01 0.00 -0.01 0.01 -0.00 -0.04 -0.05 -0.02 -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 0.01 0.01 -0.00 -0.01 -0.00 0.09 0.16 0.08 0.03 -0.01 0.01 -0.03 0.03 -0.02 0.01 0.00 0.01 0.08 -0.13 0.02 0.02 0.02 0.02 -0.16 0.02 -0.06 -0.01 -0.03 -0.02 0.03 0.01 0.01 0.05 -0.01 0.02 -0.11 -0.26 -0.16 -0.02 0.00 -0.01 -0.12 -0.32 -0.13 0.06 0.05 -0.03 -0.05 -0.06 0.03 0.35 -0.01 0.16 0.11 0.15 -0.05 -0.22 0.18 -0.27 -0.01 0.02 -0.00 0.00 -0.00 0.01 -0.01 0.03 -0.00 -0.05 -0.06 0.04 0.09 0.11 -0.12 0.18 -0.10 -0.26 -0.04 0.30 0.25 0.01 0.01 0.01 -0.04 -0.01 -0.01 0.04 0.01 0.01 0.01 -0.00 0.00 -0.02 0.00 -0.01 -0.03 -0.04 -0.02 -0.02 -0.06 -0.03 0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.00 0.05 0.19 0.07 0.03 -0.01 0.02 -0.03 0.02 -0.01 -0.01 0.04 0.01 0.07 -0.08 0.02 -0.00 0.01 0.00 -0.20 0.02 -0.13 -0.00 -0.03 -0.01 -0.11 0.05 -0.06 -0.01 0.02 0.01 -0.09 -0.22 -0.13 0.04 -0.04 0.01 -0.10 -0.33 -0.13 -0.06 -0.05 0.03 0.06 0.04 -0.05 -0.30 0.02 -0.06 -0.22 -0.12 -0.04 0.22 -0.13 0.30 -0.00 0.01 -0.00 -0.03 0.02 -0.01 -0.02 0.02 0.01 0.07 0.05 -0.02 -0.12 -0.04 0.22 -0.21 0.07 0.20 0.01 -0.27 -0.28 0.00 0.00 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.04 0.01 0.01 -0.01 0.00 -0.01 -0.01 -0.01 -0.04 0.02 -0.01 0.07 -0.13 0.01 0.01 -0.04 -0.01 -0.13 -0.01 -0.09 0.01 0.05 0.03 -0.45 0.07 -0.26 0.26 -0.43 0.01 0.21 0.51 0.32 0.02 -0.02 0.00 -0.02 -0.05 -0.02 0.01 0.01 -0.00 -0.01 -0.00 0.01 0.03 -0.00 -0.00 0.03 0.01 0.01 -0.02 0.00 -0.03 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 -0.01 -0.03 0.02 -0.00 -0.01 0.00 0.02 0.04 0.00 -0.02 0.03 0.24 0.41 0.12 -0.15 -0.40 -0.23 -0.02 -0.07 -0.02 0.04 0.05 0.03 0.03 -0.12 -0.03 0.11 0.05 0.05 -0.12 -0.07 -0.02 -0.02 0.12 0.06 0.01 -0.00 -0.01 -0.20 0.11 -0.01 -0.00 -0.04 -0.02 0.02 0.03 0.02 -0.03 0.05 0.00 0.07 -0.20 -0.01 -0.05 0.01 -0.02 0.10 0.03 0.08 0.02 -0.01 0.01 -0.30 0.08 -0.16 -0.14 0.17 -0.03 0.03 0.00 0.01 0.09 -0.06 0.03 0.27 -0.17 0.04 -0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.04 0.00 0.01 -0.04 -0.01 -0.02 0.02 0.00 0.03 -0.00 0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 0.01 0.02 0.00 -0.00 -0.03 0.01 0.06 -0.05 0.00 0.03 -0.01 -0.02 -0.05 -0.00 -0.00 0.00 0.02 0.03 0.01 -0.01 -0.03 -0.02 -0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 0.08 0.03 -0.05 -0.04 -0.05 0.03 -0.02 0.01 -0.23 0.55 0.01 0.03 -0.02 0.01 -0.49 -0.05 -0.29 0.01 -0.00 0.00 0.32 -0.06 0.19 0.22 -0.32 0.02 0.02 0.02 0.03 0.00 -0.01 0.00 -0.01 0.02 0.01 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.01 0.00 0.00 0.00 -0.01 -0.00 0.00 0.00 0.01 -0.00 0.01 -0.00 -0.00 -0.01 0.00 0.03 -0.02 -0.00 0.00 0.00 -0.00 -0.01 0.17 0.34 0.15 -0.12 -0.26 -0.09 -0.12 -0.24 -0.13 0.01 0.02 0.01 0.01 0.01 0.01 0.01 0.05 0.02 0.03 0.04 0.02 0.05 0.03 0.01 -0.01 0.05 0.03 -0.02 -0.04 -0.02 0.01 0.00 0.01 -0.01 0.04 0.01 0.03 0.02 0.03 0.08 -0.00 0.05 -0.17 0.37 -0.01 -0.04 0.09 0.01 0.37 0.03 0.23 -0.01 -0.02 -0.01 -0.29 0.04 -0.16 0.18 -0.26 0.02 -0.04 -0.11 -0.07 -0.06 -0.12 -0.08 -0.01 -0.07 -0.02 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -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 0.01 0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.01 0.07 0.14 0.06 -0.05 -0.11 -0.04 -0.05 -0.10 -0.06 0.00 0.01 0.00 0.00 0.01 0.00 0.01 0.03 0.01 0.02 0.02 0.01 0.02 0.01 0.00 -0.00 0.02 0.01 -0.01 -0.02 -0.01 -0.02 -0.03 -0.02 0.05 -0.11 -0.01 -0.10 -0.03 -0.07 -0.15 0.01 -0.09 0.21 -0.41 0.00 0.07 -0.15 -0.01 -0.43 -0.03 -0.27 0.02 0.08 0.04 0.35 -0.04 0.20 -0.22 0.30 -0.03 0.01 0.04 0.02 0.11 0.20 0.13 -0.01 0.05 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 0.01 0.00 -0.00 0.01 -0.01 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.02 0.02 -0.01 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.00 0.00 -0.00 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 -0.01 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 0.10 0.10 0.32 -0.06 -0.05 -0.12 -0.12 -0.00 0.06 -0.13 0.14 -0.26 -0.11 0.26 0.02 -0.04 -0.04 -0.10 0.24 -0.39 0.15 -0.13 0.44 0.04 -0.01 -0.03 -0.14 -0.02 -0.27 -0.16 0.06 0.01 -0.03 0.14 -0.22 0.01 -0.01 -0.03 -0.01 0.01 0.02 0.01 0.01 0.02 0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 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 0.07 -0.12 0.01 -0.12 -0.01 -0.07 -0.02 0.01 -0.01 -0.21 0.47 -0.00 0.01 -0.03 -0.00 0.44 0.00 0.26 0.04 0.11 0.07 -0.24 0.03 -0.13 0.15 -0.25 0.00 -0.17 -0.38 -0.25 0.03 0.03 0.03 0.00 0.02 0.00 0.01 -0.01 -0.00 -0.01 0.00 0.00 0.02 0.00 -0.01 0.02 -0.00 0.01 0.00 -0.02 0.00 -0.00 0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.00 0.00 -0.01 0.00 0.01 0.02 0.00 -0.03 0.03 0.00 -0.01 -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.01 0.01 0.00 0.00 0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.09 -0.10 0.01 -0.03 0.03 0.02 0.06 -0.03 -0.24 -0.12 0.04 -0.03 -0.00 -0.19 -0.17 0.01 0.00 -0.01 -0.46 0.30 -0.23 -0.24 0.49 0.28 -0.04 0.02 -0.01 -0.06 0.02 0.03 0.16 0.07 0.11 0.12 -0.09 0.17 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 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 -0.05 0.00 -0.06 0.22 0.08 0.21 0.32 -0.09 0.13 0.10 -0.05 0.34 0.00 -0.01 -0.00 -0.02 0.01 -0.01 -0.01 0.03 0.02 0.02 -0.05 -0.09 -0.25 0.20 0.32 -0.10 0.07 0.41 0.12 0.33 0.34 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 0.01 0.01 -0.00 0.01 0.01 -0.01 0.01 -0.00 -0.00 0.03 0.01 0.01 -0.01 0.00 -0.01 0.01 -0.02 -0.00 -0.01 -0.00 0.03 0.00 0.02 -0.02 0.04 0.00 0.01 0.03 0.02 -0.00 -0.02 -0.01 0.01 -0.01 -0.00 0.04 -0.04 0.01 -0.06 0.04 -0.08 0.26 0.17 0.42 0.17 -0.38 0.27 0.09 -0.23 0.12 -0.02 0.04 -0.01 0.05 -0.03 0.04 0.01 -0.02 -0.04 -0.04 0.03 0.05 0.16 0.09 -0.22 0.33 0.04 -0.11 -0.04 -0.34 -0.20 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 0.00 -0.02 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 -0.02 0.00 -0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 0.00 0.00 -0.02 0.03 0.01 0.06 -0.00 0.01 -0.30 0.05 0.27 -0.29 -0.30 0.09 -0.13 0.12 -0.40 0.01 -0.02 -0.00 -0.03 0.00 -0.02 -0.01 0.04 0.03 -0.01 -0.05 -0.03 0.04 0.48 -0.02 0.24 0.09 0.37 -0.08 0.06 -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 -0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 0.00 -0.03 0.00 0.01 -0.02 -0.03 0.01 0.02 -0.10 -0.31 0.27 0.38 -0.16 0.04 0.14 0.35 0.01 -0.01 0.00 -0.01 0.01 -0.02 -0.00 0.02 0.01 -0.02 -0.03 0.01 0.14 0.44 -0.15 0.35 0.08 0.21 -0.12 -0.15 -0.25 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.03 -0.01 -0.01 0.01 -0.00 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.02 -0.01 -0.01 0.01 -0.03 -0.00 -0.01 -0.03 -0.02 0.00 0.01 0.01 -0.00 -0.01 0.00 -0.00 0.00 -0.03 0.01 -0.03 -0.03 -0.43 0.03 0.23 0.41 -0.11 0.16 -0.12 0.52 0.16 0.04 -0.04 0.01 -0.23 0.14 -0.14 -0.09 0.18 0.15 0.00 0.02 0.03 0.01 -0.15 -0.01 -0.04 -0.04 -0.18 0.01 -0.07 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.02 0.02 -0.01 0.02 -0.17 -0.03 -0.05 0.01 0.04 -0.01 -0.05 0.14 -0.05 -0.03 0.05 0.00 0.16 -0.06 0.09 0.07 -0.19 -0.12 -0.03 0.02 -0.03 -0.29 0.09 0.35 0.42 0.03 -0.17 0.37 -0.40 0.35 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.02 0.01 0.12 -0.03 0.06 -0.08 0.11 -0.01 -0.11 0.09 -0.03 -0.07 0.38 0.08 0.14 -0.11 0.05 0.27 0.15 0.18 -0.05 -0.06 -0.05 0.23 0.08 0.17 -0.16 0.38 0.05 0.15 0.41 0.25 -0.05 -0.12 -0.07 0.01 -0.02 -0.01 0.01 -0.01 -0.00 0.01 -0.01 0.01 -0.16 -0.02 -0.01 0.05 0.00 0.01 -0.06 0.15 -0.04 -0.00 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.00 -0.07 0.00 0.05 -0.01 0.09 0.03 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.01 -0.14 -0.04 0.10 0.03 0.07 0.14 0.03 0.10 -0.25 0.36 -0.05 0.04 -0.14 -0.03 -0.41 0.04 -0.25 -0.09 0.06 -0.04 -0.43 0.10 -0.23 -0.27 0.32 -0.05 -0.12 0.06 -0.05 -0.08 0.08 -0.02 0.03 -0.02 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.03 -0.00 -0.01 0.01 0.01 0.00 -0.01 0.03 -0.00 -0.00 0.01 -0.00 0.02 -0.00 0.01 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.01 0.01 -0.01 0.00 0.01 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 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 -0.02 -0.00 -0.01 0.01 -0.01 0.00 0.01 0.01 -0.02 0.05 -0.00 0.02 -0.01 0.01 0.03 0.01 0.04 -0.01 -0.02 -0.02 -0.01 0.02 0.00 -0.01 0.04 0.01 0.02 0.06 0.04 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.14 0.19 -0.01 0.02 -0.01 0.00 0.39 0.04 0.15 -0.21 -0.02 -0.07 0.14 -0.29 0.09 0.10 -0.17 0.01 -0.24 0.08 -0.20 -0.05 0.19 0.22 0.02 -0.01 -0.00 -0.12 0.03 0.20 0.21 -0.08 -0.37 0.14 -0.31 0.02 0.00 0.00 0.00 0.02 -0.01 -0.01 -0.02 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 0.01 -0.01 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.03 0.01 0.02 0.16 0.07 0.18 0.09 0.15 -0.16 -0.11 -0.14 0.14 -0.05 0.08 -0.03 -0.22 -0.10 -0.23 0.11 -0.15 0.14 0.34 0.22 0.15 -0.17 0.03 -0.23 0.02 -0.14 -0.18 -0.42 -0.27 -0.11 -0.19 -0.14 0.02 -0.03 -0.01 -0.03 0.04 -0.00 0.01 -0.01 0.01 0.02 -0.00 0.01 -0.03 0.01 -0.01 0.00 -0.00 -0.01 0.02 -0.04 0.00 -0.01 0.01 -0.04 0.01 0.03 0.02 0.00 -0.01 -0.01 -0.02 0.01 0.03 0.02 -0.01 -0.03 0.02 -0.01 0.02 -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 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.22 0.26 -0.05 -0.25 0.09 -0.13 0.24 -0.12 0.11 0.10 -0.44 -0.08 0.19 -0.23 0.04 0.29 0.11 0.22 -0.09 0.12 -0.01 -0.24 -0.09 -0.18 -0.12 0.26 0.03 -0.16 0.03 -0.09 0.12 -0.09 0.05 -0.04 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 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.52 -0.20 -0.10 -0.47 0.19 0.08 -0.00 0.01 0.00 0.01 0.00 0.00 -0.44 0.14 0.07 0.38 -0.18 -0.08 -0.01 -0.01 -0.00 -0.00 -0.01 -0.01 0.01 0.02 0.01 0.03 0.06 0.02 0.00 -0.02 -0.01 -0.02 -0.01 -0.01 0.01 0.01 0.01 -0.02 0.01 -0.01 0.00 0.02 0.01 0.01 -0.01 0.01 -0.01 -0.02 -0.02 -0.01 0.01 -0.00 0.02 -0.00 0.01 0.01 0.03 0.02 0.01 0.03 0.02 0.00 0.02 0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 0.01 0.00 0.02 -0.01 0.00 0.48 -0.18 -0.08 0.52 -0.22 -0.10 -0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.39 0.13 0.06 -0.40 0.20 0.09 -0.01 -0.01 -0.00 0.00 0.02 0.01 -0.07 0.03 0.01 0.03 -0.01 -0.01 -0.00 0.01 0.00 -0.01 -0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 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 -0.05 -0.00 0.07 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.00 -0.01 0.00 -0.02 -0.00 0.75 -0.34 -0.07 -0.05 0.03 0.01 -0.06 0.02 0.00 0.01 -0.02 -0.00 0.02 0.00 0.00 0.01 0.00 0.01 0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.50 0.23 0.04 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -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 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 -0.00 -0.00 -0.08 -0.05 0.08 0.05 0.01 -0.07 0.69 0.38 -0.00 -0.00 -0.00 0.01 -0.01 -0.00 -0.06 -0.04 -0.01 0.05 -0.51 -0.28 -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 -0.02 -0.02 0.08 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.07 -0.06 -0.02 0.00 0.01 0.01 0.63 0.45 0.10 0.01 -0.08 -0.04 -0.01 0.00 0.00 -0.00 0.00 0.00 -0.47 -0.33 -0.08 -0.01 0.06 0.03 -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 0.04 0.04 -0.13 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.02 0.02 -0.08 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.26 -0.28 0.92 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 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 0.01 -0.00 0.00 -0.00 0.15 -0.04 0.03 -0.06 -0.09 -0.20 -0.07 0.07 -0.00 -0.00 -0.00 -0.00 -0.01 -0.01 0.01 0.00 0.01 -0.03 0.01 0.04 -0.32 0.03 -0.23 0.04 -0.40 0.11 0.62 0.24 -0.38 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.05 0.00 -0.02 0.01 -0.46 0.12 -0.11 0.19 0.30 0.67 0.23 -0.21 -0.00 0.00 0.00 -0.00 -0.01 -0.02 0.02 -0.00 0.02 -0.01 0.00 0.01 -0.10 0.01 -0.07 0.01 -0.12 0.03 0.19 0.07 -0.12 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.04 -0.06 0.04 -0.03 0.67 -0.16 0.05 -0.12 -0.17 0.49 0.16 -0.16 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.02 -0.03 0.01 0.14 -0.02 0.10 -0.04 0.29 -0.07 0.19 0.07 -0.12 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.02 0.03 -0.02 0.01 -0.30 0.07 -0.03 0.06 0.08 -0.23 -0.07 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.05 -0.06 0.01 0.31 -0.04 0.24 -0.09 0.60 -0.16 0.42 0.16 -0.26 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.02 -0.01 -0.00 0.00 0.00 -0.02 -0.01 0.00 -0.05 0.04 0.00 0.05 -0.34 -0.53 0.56 -0.03 0.52 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.02 -0.00 -0.02 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.04 -0.01 -0.02 0.03 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.07 0.05 -0.05 0.65 -0.06 0.47 0.06 -0.55 0.14 0.07 0.04 -0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.03 -0.07 -0.06 -0.01 0.40 -0.10 -0.24 0.46 0.72 -0.15 -0.07 0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.00 -0.01 0.00 -0.00 0.00 -0.04 0.01 -0.03 -0.00 0.03 -0.01 -0.01 -0.00 0.01 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 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 -0.06 -0.03 -0.04 0.02 0.01 0.01 -0.00 0.03 0.01 -0.06 0.04 -0.02 -0.02 0.24 0.08 -0.20 -0.13 -0.18 0.72 -0.48 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 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.02 0.03 -0.00 0.00 0.00 0.00 -0.06 -0.02 -0.45 -0.22 -0.35 -0.02 -0.02 -0.02 0.01 -0.06 -0.02 0.01 -0.00 0.00 -0.05 0.63 0.20 0.27 0.18 0.24 -0.08 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 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.02 -0.01 -0.02 0.00 0.01 0.00 0.00 0.01 0.01 0.27 0.14 0.21 -0.05 -0.04 -0.04 0.01 -0.09 -0.03 -0.02 0.02 -0.01 0.01 -0.13 -0.04 0.56 0.38 0.50 0.27 -0.19 0.11 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.01 -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 -0.05 -0.02 -0.04 0.00 -0.00 -0.00 0.01 -0.06 -0.02 0.51 0.25 0.40 0.01 0.01 0.01 -0.01 0.05 0.01 0.01 -0.01 0.01 -0.05 0.65 0.20 -0.08 -0.05 -0.07 -0.14 0.09 -0.05 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.01 0.01 0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.01 0.01 -0.00 -0.00 0.00 -0.03 -0.03 -0.09 -0.07 0.41 0.65 0.47 -0.02 0.42 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.02 -0.08 -0.02 -0.00 0.00 0.00 -0.03 -0.01 -0.02 -0.01 -0.00 -0.01 -0.18 0.93 0.27 -0.00 0.00 -0.00 0.00 -0.01 -0.00 0.08 0.05 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 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 6 6 6 6 6 7 7 7 7 8 5 6 6 6 1 6 1 6 1 1 1 7 1 7 6 1 1 1 6 1 1 6 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 6 6 6 6 6 7 7 7 7 8 5 6 6 6 1 6 1 6 1 1 1 7 1 7 6 1 1 1 6 1 1 6 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 14.00307 14.00307 14.00307 14.00307 15.99491 11.00931 12.00000 12.00000 12.00000 1.00783 12.00000 1.00783 12.00000 1.00783 1.00783 1.00783 14.00307 1.00783 14.00307 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 281.13221 0.99986 0.01674 -9.0E-5 -0.01674 0.99971 -0.0175 -2.0E-4 0.0175 0.99985 asymmetric 1 0.01681 0.01194 0.00810 0.35034 0.24878 0.16872 696406.3 26.53 46.86 52.57 65.29 77.26 91.77 115.65 127.34 134.17 168.04 185.56 234.19 244.84 273.70 275.80 285.45 352.23 412.95 432.97 461.81 523.52 572.98 590.23 605.48 609.20 617.53 648.52 667.84 675.48 677.59 691.72 894.11 915.82 958.10 989.72 995.16 1027.60 1028.75 1087.11 1101.50 1154.94 1262.35 1269.06 1272.16 1276.45 1339.37 1393.63 1396.76 1470.77 1501.23 1509.93 1543.78 1547.01 1568.77 1572.48 1581.74 1596.59 1631.07 1650.74 1668.07 1674.90 1689.59 1741.35 1764.89 1929.86 1942.78 1965.66 1970.21 2036.82 2063.31 2093.20 2096.13 2109.94 2136.05 2146.05 2164.33 2198.69 2248.09 2386.73 2464.92 2496.53 2525.49 2692.88 3463.33 3465.65 3521.19 4345.83 4357.86 4477.19 4483.70 4520.03 4542.65 4555.08 4639.80 4667.52 4672.34 4684.18 4701.99 4730.28 0.265247 0.286574 0.287518 0.211600 -931.051245 -931.029918 -931.028974 -931.104892 179.828 76.373 159.783 0.000 0.000 1.377 0.889 2.981 42.799 0.889 2.981 34.346 178.051 70.411 81.260 1 0.593 1.986 6.795 2 0.594 1.983 5.666 3 0.594 1.982 5.439 4 0.595 1.979 5.009 5 0.596 1.976 4.676 6 0.597 1.972 4.337 7 0.600 1.962 3.882 8 0.601 1.957 3.693 9 0.602 1.954 3.591 10 0.608 1.935 3.153 11 0.611 1.924 2.961 12 0.623 1.888 2.517 13 0.625 1.879 2.434 14 0.634 1.853 2.226 15 0.634 1.851 2.211 16 0.637 1.842 2.148 17 0.660 1.771 1.768 18 0.684 1.698 1.491 19 0.693 1.672 1.412 20 0.706 1.633 1.305 21 0.737 1.547 1.106 22 0.765 1.474 0.969 23 0.774 1.448 0.926 24 0.783 1.425 0.889 25 0.786 1.419 0.880 26 0.791 1.407 0.861 27 0.810 1.359 0.794 28 0.822 1.330 0.754 29 0.827 1.318 0.739 30 0.828 1.315 0.735 31 0.837 1.293 0.708 0.468527e-97 -97.329265 -224.108915 0.474069e+25 24.675841 56.818225 0.178754e+10 9.252255 21.304104 0.200000e+01 0.301030 0.693147 0.185276e+09 8.267820 19.037359 0.715710e+07 6.854737 15.783615 coments ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 10.8730 -3.2116 0.0272 11.3375 -142.8366 -123.3296 -120.8421 -12.1216 5.9968 -11.7485 -13.8339 5.6732 8.1607 -12.1216 5.9968 -11.7485 211.0882 -58.7858 -11.2910 111.9603 9.5740 39.3584 16.7474 -5.4388 -28.6865 22.2023 -5423.6791 -3235.4381 -778.4634 -386.0511 48.6711 -111.1080 -140.3495 3.1969 -48.3419 -1462.2164 -891.8602 -732.4699 -109.1887 50.9562 16.2984 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -931.3164925 0.754611 0. 0.750017 1.89E-9 4.842E-6 0.2652471 0.2865741 -931.0299184 -931.0289742 -931.1048922 -0.2769034,-2.3071104,2.5840139,12.7045025,8.575063,4.0755392 C01 [X(C13H14B1N6O1)] -4.3412555 0.0460294 1.0234471 1.1329915 0.0015251 -0.232396 0.0508405 0.5275988 -0.0927866 -0.1588689 -0.0819703 0.3946886 0.2854139 -0.2167655 0.050764 -0.5238592 0.6011832 0.0875752 0.0879137 -0.0031985 0.1077524 0.1076827 0.0300114 0.0447142 0.2716968 0.4970567 -0.3238942 -0.127073 -0.2601759 0.3417978 -0.0422732 0.0817215 0.016303 0.134687 -0.1381558 0.0287467 0.0007572 0.0360686 0.07533 0.0255463 0.0175331 0.0094351 -0.0536709 -0.1369633 0.1243041 0.0344053 0.1077188 0.0223859 -0.6200631 0.1999558 -0.0591703 0.0190718 -0.6776918 0.1898755 -0.0343269 0.0266966 -0.2422485 -0.6087219 -0.0152513 0.0578808 0.0929958 -0.6506341 0.0653122 -0.1202557 0.2470224 -0.2957401 -0.2531124 -0.0001562 -0.009787 0.031379 -0.2630168 -0.012337 -0.0151146 -0.0023362 -0.2695136 -0.2520238 0.0009855 -0.0040569 -0.0109245 -0.2352119 -0.0044913 0.0131533 -0.008084 -0.2715652 -1.0510748 0.0038799 0.2412046 -0.0462257 -0.4584621 0.078235 0.2169801 0.0620742 -0.3992473 1.5469061 -0.2409473 -0.2833486 0.2027046 0.6711692 -0.1969772 0.1721298 -0.1705274 0.3140243 0.2880138 -0.4206734 0.0120653 0.294327 -0.0532759 -0.045974 -0.1188586 0.0012669 0.0673176 0.2525244 0.265028 -0.1023632 -0.0169183 1.1433781 0.4482657 0.148946 0.4854012 0.2030389 -0.3214927 0.6644824 0.0228717 0.0169304 -0.2194425 -0.1449121 -0.0380629 0.2469194 -0.0304019 0.1941614 0.0065713 -0.045952 0.0223998 0.0983019 -0.0120896 -0.0313252 -0.0006326 0.1161379 -0.2024863 -0.7076213 -0.0184829 -0.1985577 -0.6231291 -0.154697 0.0532305 0.0407447 -0.0771791 0.193521 0.0185807 -0.016969 0.0033947 0.0185249 -0.0141778 -0.0072964 -0.1227063 0.0399383 0.1812779 -0.2300576 -0.0282496 0.0639133 0.6958183 0.0868232 0.006077 -0.4253296 -0.0873287 0.0762199 -0.008658 0.003469 -0.0231572 0.023312 0.0463672 -0.0007942 0.0385209 0.1091321 0.0505713 0.0139034 -0.0274067 0.0400793 0.0427318 0.0450812 -0.0181701 0.032255 0.0965725 -0.0134058 -0.0308346 -0.0128951 -0.0284344 0.0970249 0.0061338 -0.0132519 -0.0064232 0.1062601 -0.7225286 0.5813359 0.3062478 -0.2221453 -0.6147771 -0.1092226 -0.0189605 0.0448437 -0.0811669 -0.32745 0.0200683 0.0757174 -0.0254874 -0.1151522 0.0127403 0.0383792 0.0349709 -0.230097 -0.59648 -0.7029344 -0.2801512 -0.3604323 -1.5545263 -0.2797976 -0.1198558 -0.0707924 -0.4495673 0.489953 0.1034632 0.1635824 -0.0486807 0.22272 0.0875527 0.2341971 0.3592849 0.3363445 -0.015129 -0.0782329 -0.0504594 -0.0672577 -0.1443613 -0.0837547 -0.029275 -0.0338609 0.0557633 0.0238964 -0.0144285 0.0536676 -0.0040484 0.056705 0.0936697 -0.0234467 0.0215836 -0.0626342 -0.1578385 -0.0433118 -0.0203213 0.0949736 0.0266365 -0.0011168 0.0372699 -0.1181714 -0.0275537 0.2820076 0.8150119 0.2780123 0.2856944 0.6219767 0.1095574 -0.0230605 -0.4003697 -0.1688727 0.0529551 0.008287 -0.0180395 -0.0324977 0.0280652 0.0282344 -0.0006863 0.042343 -0.0583667 -0.0702859 0.04635 -0.0329901 0.0468572 0.0202952 0.0340639 -0.0751889 0.0215547 0.0247292 0.1076479 -0.1397332 -0.0890529 0.0518709 0.6044658 -0.0430925 -0.1343865 -0.2934074 0.3360165 -0.0913879 0.0875661 -0.068723 -0.010384 0.0557052 0.0145941 -0.020979 0.0442553 0.0117429 0.0431501 -0.1158877 0.0028757 -0.0643015 -0.1292137 -0.0052668 -0.0070127 -0.0337492 0.0293389 0.0113135 -0.0007668 0.0620038 0.0131666 -0.0386556 -0.0625446 0.092811 0.1382101 -0.0368285 232.503368|10.3918309|246.3638472|-16.9846526|-3.7184427|137.9968514 -0.000001917 -0.000004217 0.000001349 0.000004838 -0.000000913 -0.000006043 -0.000001910 0.000003040 0.000006479 -0.000002474 0.000000022 0.000003700 0.000001332 -0.000002472 -0.000002780 -0.000005015 0.000005524 -0.000004585 -0.000000841 0.000007643 -0.000009034 0.000000667 0.000000031 0.000000276 -0.000000086 0.000000568 0.000000551 0.000003207 0.000002396 0.000000998 -0.000014204 -0.000019732 0.000018808 0.000004884 -0.000001645 0.000003072 -0.000006867 -0.000003284 0.000002037 -0.000003692 0.000000257 -0.000002217 -0.000001392 -0.000000554 -0.000000727 0.000002571 0.000003109 -0.000001673 0.000001610 -0.000001991 0.000000808 0.000003207 -0.000003803 0.000002719 0.000000028 0.000000298 0.000000764 -0.000000194 -0.000001354 -0.000000749 -0.000000447 0.000001029 -0.000000570 0.000003542 0.000014339 -0.000004974 0.000010001 0.000004205 -0.000009398 0.000011672 -0.000000037 -0.000007185 -0.000012916 -0.000003974 0.000001085 0.000002064 -0.000001627 0.000000604 0.000000723 -0.000000316 0.000000314 0.000003331 0.000004670 0.000001473 -0.000001884 0.000003365 0.000003930 -0.000000311 -0.000000146 -0.000001440 0.000000616 -0.000001166 0.000000726 0.000002641 -0.000001889 0.000000194 0.000001545 -0.000001461 -0.000000075 -0.000001905 0.000000121 0.000000729 -0.000002424 -0.000000038 0.000000835 266.98969999999986 AuxInfo=1/0/N:18,14,16,12,13,4,5,2,3,1,11,8,9,6,7,22,10;29,25,32,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15);(2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.2,7.2,8.3,9.3,10.3,11.4,12.1,13.1,14.2,15.2,17.1;1.3/rA:35nC3C3C3C2C2N2N2N1N1O1B4C3C3C3HC3HC3HHHNHNCHHHC3HHCHHH/rB:s1;s1;s2;s3;s2;s3;s4;s5;s1;s6s7;;;s12;s12;s13;s13;s14s16;s14;s16;s18;s11s12s13;s11;;s24;s25;s25;s25;s24;s29;s29;s24;s32;s32;s32;/rC:2.4633,-.3003,-.5854;1.9543,-1.586,.0265;1.3967,.7592,-.7536;2.8805,-2.7142,-.0238;1.7798,1.926,-1.5449;.7984,-1.7176,.5301;.2262,.6686,-.2758;3.5917,-3.6246,-.0524;2.0362,2.8725,-2.1568;3.5985,-.1474,-.9533;-.0905,-.5013,.6262;-2.0065,-2.1453,.8607;-2.4753,-.1114,-.1852;-3.3248,-2.5453,.7659;-1.2238,-2.7644,1.3014;-3.8144,-.4674,-.3345;-2.0561,.8143,-.5726;-4.2477,-1.6913,.1499;-3.6213,-3.518,1.1581;-4.4977,.2273,-.8233;-5.2931,-1.9892,.0486;-1.5969,-.9544,.3832;-.0264,-.0921,1.7848;-1.6724,2.985,1.605;-.4705,2.8717,2.3942;-.0524,3.8723,2.586;-.6998,2.4022,3.3602;.3024,2.2658,1.8877;-2.6776,2.062,1.7421;-2.7289,1.5288,2.6942;-3.6165,2.2884,1.2288;-1.5354,3.6989,.3572;-2.5277,3.8895,-.0761;-1.0439,4.6687,.5277;-.929,3.129,-.372; Gaussian 16 2-Jul-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 99 C1[X(C13H14BN6O)] 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 0 266.98969999999986 AuxInfo=1/0/N:18,14,16,12,13,4,5,2,3,1,11,8,9,6,7,22,10;29,25,32,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15);(2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.2,7.2,8.3,9.3,10.3,11.4,12.1,13.1,14.2,15.2,17.1;1.3/rA:35nC3C3C3C2C2N2N2N1N1O1B4C3C3C3HC3HC3HHHNHNCHHHC3HHCHHH/rB:s1;s1;s2;s3;s2;s3;s4;s5;s1;s6s7;;;s12;s12;s13;s13;s14s16;s14;s16;s18;s11s12s13;s11;;s24;s25;s25;s25;s24;s29;s29;s24;s32;s32;s32;/rC:2.4632,-.3003,-.5854;1.9543,-1.586,.0265;1.3967,.7592,-.7536;2.8805,-2.7142,-.0238;1.7798,1.926,-1.5449;.7984,-1.7176,.5301;.2262,.6686,-.2758;3.5917,-3.6246,-.0524;2.0362,2.8725,-2.1568;3.5985,-.1474,-.9533;-.0905,-.5013,.6262;-2.0065,-2.1453,.8607;-2.4753,-.1114,-.1852;-3.3248,-2.5453,.7659;-1.2238,-2.7644,1.3014;-3.8144,-.4674,-.3345;-2.056,.8143,-.5726;-4.2477,-1.6913,.1499;-3.6213,-3.518,1.1581;-4.4977,.2273,-.8233;-5.2931,-1.9892,.0486;-1.5969,-.9544,.3832;-.0264,-.0921,1.7848;-1.6724,2.985,1.605;-.4705,2.8717,2.3942;-.0524,3.8723,2.586;-.6997,2.4022,3.3602;.3024,2.2658,1.8877;-2.6776,2.062,1.7421;-2.7289,1.5288,2.6942;-3.6165,2.2884,1.2288;-1.5354,3.6989,.3572;-2.5277,3.8895,-.0761;-1.0439,4.6687,.5277;-.929,3.129,-.372; chk=1_p_TMA_2.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 12 12 12 12 12 14 14 14 14 16 11 12 12 12 1 12 1 12 1 1 1 14 1 14 12 1 1 1 12 1 1 12 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 14.0030740 14.0030740 14.0030740 14.0030740 15.9949146 11.0093053 12.0000000 12.0000000 12.0000000 1.0078250 12.0000000 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 14.0030740 1.0078250 14.0030740 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 0 0 0 0 0 2 2 2 2 0 3 0 0 0 1 0 1 0 1 1 1 2 1 2 0 1 1 1 0 1 1 0 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 4.5500000 4.5500000 4.5500000 4.5500000 5.6000000 2.7500000 3.6000000 3.6000000 3.6000000 1.0000000 3.6000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 4.5500000 1.0000000 4.5500000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "1_p_TMA_2.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 966 A 847 A 847 1309 966 74 73 1535.6789648717 35 35 35 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 -0.0274098230 0.000000 1.512135 0.000000 1.512731 2.533684 0.000000 2.513239 1.460552 3.846921 0.000000 2.518792 3.851518 1.460921 5.005698 0.000000 2.454550 1.267653 2.853162 2.373829 4.306353 0.000000 2.457448 2.856702 1.267570 4.307188 2.367605 2.582750 0.000000 3.550796 2.615943 4.952488 1.155610 6.026572 3.431976 5.459633 0.000000 3.566230 4.965020 2.616019 6.039305 1.155803 5.460771 3.416357 7.004223 0.000000 1.203160 2.394418 2.389520 2.822768 2.820823 3.536488 3.535196 3.591964 3.606784 0.000000 2.833775 2.391107 2.388491 3.761149 3.755512 1.509561 1.510808 4.875871 4.863178 4.028566 0.000000 5.047220 4.086152 4.756559 4.998872 6.057994 2.856542 3.767607 5.861920 7.115298 6.220871 2.535543 0.000000 4.958289 4.673304 4.009167 5.956860 4.909717 3.715920 2.813268 7.011958 5.757082 6.122271 2.549010 2.334626 0.000000 6.353518 5.416176 5.959996 6.257543 7.168630 4.212002 4.901390 7.047809 8.163003 7.525802 3.828559 1.380824 2.747763 0.000000 4.819385 3.621361 4.848348 4.313233 6.254868 2.404185 4.046655 5.075642 7.373006 5.931916 2.619513 1.090908 3.288525 2.179138 0.000000 6.284900 5.887209 5.369954 7.068667 6.203923 4.856786 4.197686 8.055905 6.978915 7.445619 3.845997 2.740895 1.393694 2.401773 3.829313 0.000000 4.654741 4.711997 3.457976 6.092669 4.110368 3.971648 2.306082 7.202153 4.846913 5.748419 2.651644 3.288784 1.087520 3.832510 4.124479 2.188893 0.000000 6.892891 6.204034 6.219392 7.203229 7.231035 5.060396 5.076007 8.076735 8.101621 8.072400 4.350269 2.394561 2.397884 1.400169 3.408940 1.385786 3.406356 0.000000 7.100329 6.008282 6.865109 6.656972 8.131121 4.813423 5.864000 7.314593 9.156073 8.242839 4.674348 2.140089 3.837019 1.089885 2.517161 3.401694 4.920763 2.178432 0.000000 6.984959 6.755575 5.918796 7.983023 6.543187 5.801928 4.775951 8.992719 7.174072 8.105947 4.696282 3.830263 2.147572 3.404203 4.917572 1.090092 2.523695 2.165804 4.326802 0.000000 7.963411 7.258638 7.276804 8.206013 8.239816 6.116547 6.134508 9.034644 9.067467 9.135535 5.441950 3.389052 3.394289 2.167572 4.327792 2.156214 4.327138 1.091805 2.522604 2.511104 0.000000 4.225057 3.624511 3.631930 4.827997 4.839075 2.518243 2.528267 5.851606 5.856285 5.424974 1.591763 1.346897 1.343550 2.379677 2.063597 2.381068 2.062155 2.761112 3.357148 3.356518 3.852873 0.000000 3.443778 3.040776 3.032101 4.312335 4.292094 2.212891 2.210958 5.379994 5.345934 4.543157 1.230381 2.998475 3.143001 4.235078 2.967952 4.356814 3.240104 4.801001 5.005282 5.186203 5.861087 2.274848 0.000000 5.717945 6.044689 4.465069 7.474109 4.791783 5.419815 3.536608 8.610693 5.283735 6.643785 3.951500 5.194749 3.665643 5.832509 5.774794 4.502068 3.098479 5.533213 6.803383 4.634984 6.346175 4.125190 3.494290 0.000000 5.248554 5.599736 4.225923 6.948276 4.634149 5.113415 3.531012 8.042989 5.195748 6.072775 3.827186 5.466412 4.423979 6.335786 5.790262 5.456869 3.943174 6.334405 7.230721 5.793368 7.237943 4.466813 3.058226 1.442329 0.000000 5.813570 6.353829 4.790064 7.667800 4.920351 6.016465 4.304792 8.743247 5.277935 6.481870 4.792760 6.557986 5.424022 7.430131 6.860606 6.443241 4.831411 7.381622 8.330186 6.683536 8.262004 5.525879 4.044625 2.091476 1.101269 0.000000 5.733793 5.836365 4.900871 7.102601 5.516842 5.217931 4.133183 8.147673 6.176121 6.601696 4.034357 5.351182 4.694783 6.172433 5.586288 5.620241 4.452842 6.296855 6.959380 6.054431 7.165915 4.575444 3.026012 2.089671 1.098258 1.783176 0.000000 4.167779 4.585706 3.231692 5.924540 3.752471 4.237469 2.690205 7.019939 4.442099 4.975872 3.066283 5.083633 4.202754 6.128687 5.289150 5.418156 3.704279 6.275421 7.027005 5.877513 7.266122 4.029939 2.382852 2.120639 1.105073 1.787347 1.786414 0.000000 6.117676 6.140437 4.952368 7.538043 5.539964 5.276029 3.800694 8.652221 6.170758 7.178878 3.808989 4.350713 2.911937 4.753859 5.059777 3.464515 2.701993 4.368937 5.689280 3.641455 5.110908 3.480408 3.416232 1.371474 2.439632 3.298590 2.577935 2.990437 0.000000 6.407809 6.224994 5.431446 7.540259 6.201300 5.259679 4.277048 8.605297 6.931364 7.493360 3.919022 4.169250 3.323500 4.546615 4.757769 3.786330 3.410974 4.375943 5.350322 4.146659 5.094174 3.576106 3.279930 2.103056 2.644538 3.559105 2.307364 3.222140 1.092384 0.000000 6.852477 6.891303 5.603674 8.294923 6.078241 6.002291 4.433281 9.410792 6.614899 7.921607 4.536311 4.731333 3.010178 4.864597 5.591134 3.174547 2.802311 4.171395 5.806838 3.039022 4.743609 3.912758 4.343379 2.099066 3.405224 4.129577 3.614336 3.973952 1.093794 1.874057 0.000000 5.733333 6.341671 4.298002 7.795657 4.213258 5.900359 3.561792 8.949155 4.445186 6.547413 4.449859 5.884716 3.961779 6.508336 6.539259 4.798964 3.075084 6.037647 7.554807 4.713844 6.824190 4.653735 4.322773 1.444078 2.442865 2.682714 3.376082 2.788122 2.429370 3.405136 2.660834 0.000000 6.536341 7.076708 5.065480 8.535809 4.956554 6.547503 4.242431 9.690663 5.117947 7.388999 5.070723 6.129308 4.002763 6.538441 6.918941 4.550288 3.150539 5.844225 7.588822 4.225043 6.497865 4.953861 5.056929 2.091782 3.371967 3.635099 4.166740 3.808186 2.582260 3.645207 2.334886 1.099420 0.000000 6.183048 6.954223 4.783553 8.379242 4.448733 6.646683 4.273098 9.518574 4.463204 6.851313 5.258057 6.889711 5.040461 7.569716 7.475373 5.899015 4.134144 7.131348 8.605907 5.786145 7.912807 5.652055 5.027966 2.095341 2.653634 2.419493 3.644002 3.071830 3.307326 4.170317 3.574275 1.100538 1.781360 0.000000 4.828383 5.541066 3.342252 6.984015 3.187564 5.223704 2.719817 8.133246 3.470443 5.618872 3.857279 5.522597 3.595260 6.263555 6.133444 4.610944 2.582273 5.875460 7.332928 4.621546 6.739289 4.206009 3.980210 2.117073 2.815794 3.173505 3.809301 2.714401 2.943724 3.898943 3.239103 1.106443 1.794919 1.786996 0.000000 C13H14BN6O(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 0 266.98969999999986 AuxInfo=1/0/N:18,14,16,12,13,4,5,2,3,1,11,8,9,6,7,22,10;29,25,32,24/E:(2,3)(4,5)(6,7)(8,9)(12,13)(14,15);(2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.2,7.2,8.3,9.3,10.3,11.4,12.1,13.1,14.2,15.2,17.1;1.3/rA:35nC3C3C3C2C2N2N2N1N1O1B4C3C3C3HC3HC3HHHNHNCHHHC3HHCHHH/rB:s1;s1;s2;s3;s2;s3;s4;s5;s1;s6s7;;;s12;s12;s13;s13;s14s16;s14;s16;s18;s11s12s13;s11;;s24;s25;s25;s25;s24;s29;s29;s24;s32;s32;s32;/rC:-2.808,.4509,.1183;-2.5736,-.9574,-.38;-1.5447,1.1647,.5462;-3.776,-1.7658,-.564;-1.7375,2.4324,1.2462;-1.4245,-1.4435,-.6042;-.3758,.7148,.351;-4.71,-2.4292,-.7157;-1.8367,3.4434,1.7974;-3.901,.9443,.2157;-.2205,-.5425,-.4721;1.1306,-2.6798,-.2832;1.9256,-.8157,.8759;2.2165,-3.4378,.1078;.3217,-3.0688,-.9033;3.0315,-1.5348,1.3255;1.7199,.2107,1.1707;3.1849,-2.8554,.9346;2.2956,-4.4739,-.2209;3.7594,-1.0422,1.9704;4.0459,-3.4367,1.2705;.9911,-1.3979,.1059;.1018,-.1939,-1.6072;2.4921,2.2818,-1.0008;1.5208,2.479,-2.0487;1.469,3.5461,-2.3157;1.8146,1.913,-2.9429;.5107,2.1496,-1.7449;3.1863,1.102,-.9165;3.293,.5273,-1.8393;4.0089,1.0744,-.196;2.2919,3.0696,.1928;3.1716,2.9881,.8472;2.1581,4.1296,-.071;1.3967,2.7383,.7524; 0.3503431 0.2487769 0.1687169 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= 955 955 955 955 955 MxSgAt= 35 MxSgA2= 35. 1 open 1 1 1 -931.858478240190 -932.093629950271 -0.235151710081 -932.336656507260 -0.243026556989 -932.336926302551 -0.000269795291 -932.336977816945 -0.000051514394 -932.336993977621 -0.000016160676 -932.336995152890 -0.000001175269 -932.336995492559 -0.000000339669 -932.336995599862 -0.000000107303 -932.336995636483 -0.000000036622 -932.336995655373 -0.000000018889 -932.336995659290 -0.000000003918 -932.336995660286 -0.000000000995 -932.336995660653 -0.000000000367 -932.336995660805 -0.000000000152 -932.336995660933 -0.000000000128 -932.336995661 16 0.7554 9.275772041354e+02 -5.240777497629e+03 1.845211742784e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1570977082 LenY= 1570042960 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. 0.7554 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 C C C C C N N N N O B C C C H C H C H H H N H N C H H H C H H C H H H 13 13 13 13 13 14 14 14 14 17 11 13 13 13 1 13 1 13 1 1 1 14 1 14 13 1 1 1 13 1 1 13 1 1 1 -0.00007 0.00009 -0.00009 -0.00012 -0.00005 -0.00013 0.00275 0.00004 0.00012 0.00001 0.00009 -0.00250 0.00752 0.00175 0.00013 0.00170 0.00147 -0.00122 -0.00054 -0.00033 -0.00006 0.00667 -0.00002 0.04095 -0.00756 0.00246 0.00077 0.00654 0.07873 -0.00553 -0.00331 -0.00381 0.00133 0.00120 0.00673 -0.07464 0.10587 -0.10475 -0.13620 -0.05384 -0.04302 0.88711 0.01290 0.04023 -0.00832 0.12828 -2.81545 8.45393 1.96474 0.57433 1.90890 6.56491 -1.36792 -2.41300 -1.47818 -0.28871 2.15636 -0.09026 13.22990 -8.49571 11.01015 3.43694 29.21279 88.50632 -24.70655 -14.79332 -4.28122 5.94550 5.37855 30.08548 -0.02664 0.03778 -0.03738 -0.04860 -0.01921 -0.01535 0.31654 0.00460 0.01436 -0.00297 0.04577 -1.00462 3.01657 0.70107 0.20493 0.68114 2.34252 -0.48811 -0.86102 -0.52745 -0.10302 0.76944 -0.03221 4.72076 -3.03148 3.92870 1.22639 10.42385 31.58125 -8.81591 -5.27862 -1.52764 2.12150 1.91920 10.73525 -0.02490 0.03532 -0.03494 -0.04543 -0.01796 -0.01435 0.29591 0.00430 0.01342 -0.00277 0.04279 -0.93913 2.81993 0.65537 0.19158 0.63674 2.18982 -0.45629 -0.80489 -0.49307 -0.09630 0.71928 -0.03011 4.41302 -2.83387 3.67259 1.14644 9.74434 29.52253 -8.24122 -4.93452 -1.42806 1.98321 1.79409 10.03544 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 0.001354 0.000037 0.001860 0.000822 0.001288 0.002903 0.004957 -0.000328 0.001276 0.000496 0.003614 -0.000171 -0.000889 -0.005597 -0.000110 -0.007906 -0.003764 -0.002642 -0.002603 -0.002290 -0.000607 -0.007552 0.003760 0.137782 0.000795 -0.000582 -0.002672 0.006800 0.096018 -0.025868 0.021150 -0.012551 -0.006463 -0.004797 -0.001675 -0.000663 -0.001247 -0.000857 -0.000122 -0.000741 0.001274 -0.002570 -0.000678 -0.000749 -0.001042 -0.001399 0.007392 0.001560 -0.011824 0.001617 -0.005325 -0.001268 0.001926 0.003818 -0.000358 0.001537 -0.038696 -0.001042 0.064582 -0.003775 0.000106 -0.005223 -0.003900 0.018195 -0.002485 -0.033884 0.004633 0.000794 0.007643 -0.001204 -0.000691 0.001210 -0.001003 -0.000700 -0.000547 -0.004177 -0.002387 0.001006 -0.000526 0.000547 -0.002214 -0.007221 -0.000672 0.017421 -0.001507 0.013231 0.005032 0.000716 -0.001215 0.002647 -0.000930 0.046248 -0.002718 -0.202364 0.002979 0.000476 0.007895 -0.002900 -0.114214 0.028353 0.012733 0.007918 0.005669 -0.002846 0.002879 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 0.000162 0.000549 -0.000196 0.000527 -0.000505 0.001741 0.000641 0.000145 -0.000827 -0.000097 0.002069 -0.002054 -0.007635 0.009344 0.001026 0.005648 0.004737 0.002090 -0.000096 0.000299 -0.001252 0.028991 0.003241 0.492590 -0.005199 -0.005533 -0.000677 -0.003059 0.432634 0.017329 0.014447 -0.004977 0.001785 -0.002925 -0.004566 -0.000258 0.000282 -0.000868 0.000085 -0.001173 -0.000165 -0.002423 0.000063 -0.000465 -0.000019 -0.000523 0.005935 0.002933 -0.024652 0.000331 -0.013959 -0.008673 -0.002348 -0.001371 0.002202 0.000348 -0.070873 0.002767 -0.322553 0.013612 0.005250 0.007643 0.006109 -0.350911 -0.019681 0.031471 -0.002202 0.002552 -0.001759 -0.005610 0.000044 -0.001087 -0.000592 0.000108 0.000266 -0.000288 -0.000636 -0.000372 0.000282 0.000062 -0.000961 0.003930 0.013234 -0.014573 0.000307 -0.015032 -0.007677 -0.004631 0.000562 -0.002613 -0.001239 -0.039426 0.000128 -0.300750 -0.003504 -0.006360 -0.001874 -0.000780 -0.319260 0.031476 -0.017770 0.013726 0.008255 0.006745 0.005410 0.1421 -0.5659 0.8121 0.0071 0.821 0.5709 0.9898 0.0753 -0.1207 -8.0E-4 -6.0E-4 0.0014 -0.103 -0.085 0.188 -0.037 -0.03 0.067 -0.034 -0.028 0.063 1 C 13 -0.3081 0.8874 0.3428 0.9502 0.3049 0.0647 0.0471 -0.3457 0.9372 -0.0019 2.0E-4 0.0016 -0.249 0.031 0.218 -0.089 0.011 0.078 -0.083 0.01 0.073 2 C 13 0.2212 0.5924 0.7747 -0.1504 0.8056 -0.573 0.9636 -0.0103 -0.2673 -0.0017 -4.0E-4 0.0021 -0.229 -0.054 0.282 -0.082 -0.019 0.101 -0.076 -0.018 0.094 3 C 13 0.0094 -0.1851 0.9827 -0.4154 0.8932 0.1722 0.9096 0.4098 0.0685 -7.0E-4 -3.0E-4 0.0011 -0.097 -0.047 0.143 -0.034 -0.017 0.051 -0.032 -0.016 0.048 4 C 13 0.4261 -0.0646 0.9024 0.213 0.9766 -0.0306 0.8792 -0.2053 -0.4299 -0.0011 -9.0E-4 0.002 -0.15 -0.115 0.266 -0.054 -0.041 0.095 -0.05 -0.038 0.089 5 C 13 0.0112 0.0491 0.9987 -0.5387 0.8417 -0.0354 0.8424 0.5376 -0.0359 -0.0042 2.0E-4 0.004 -0.162 0.007 0.155 -0.058 0.002 0.055 -0.054 0.002 0.052 6 N 14 0.2051 0.5057 0.838 -0.227 0.8574 -0.4619 0.9521 0.0955 -0.2906 -0.0034 -0.0024 0.0058 -0.13 -0.092 0.222 -0.046 -0.033 0.079 -0.043 -0.031 0.074 7 N 14 -0.3073 0.93 0.2016 0.9513 0.3053 0.0418 0.0226 -0.2046 0.9786 -8.0E-4 -3.0E-4 0.0011 -0.031 -0.011 0.042 -0.011 -0.004 0.015 -0.01 -0.004 0.014 8 N 14 0.2796 0.9292 -0.2416 0.2979 0.1553 0.9419 0.9127 -0.3353 -0.2334 -0.0011 -6.0E-4 0.0017 -0.041 -0.024 0.066 -0.015 -0.009 0.023 -0.014 -0.008 0.022 9 N 14 0.0623 0.9973 -0.0381 0.9263 -0.0435 0.3743 -0.3716 0.0587 0.9265 -0.0011 5.0E-4 6.0E-4 0.076 -0.036 -0.04 0.027 -0.013 -0.014 0.025 -0.012 -0.013 10 O 17 -0.1466 0.6532 0.7428 -0.3391 0.6722 -0.6581 0.9292 0.3484 -0.1229 -0.003 -0.0015 0.0045 -0.506 -0.257 0.763 -0.181 -0.092 0.272 -0.169 -0.086 0.255 11 B 11 -0.4796 -0.2269 0.8476 0.8732 -0.0282 0.4866 -0.0865 0.9735 0.2116 -0.0116 0.0032 0.0084 -1.561 0.43 1.131 -0.557 0.153 0.404 -0.521 0.143 0.377 12 C 13 0.4366 0.6466 -0.6255 0.8621 -0.102 0.4963 -0.2571 0.756 0.602 -0.0164 0.0017 0.0147 -2.2 0.229 1.972 -0.785 0.082 0.704 -0.734 0.076 0.658 13 C 13 0.8458 -0.0138 0.5334 -0.1609 0.9465 0.2796 -0.5087 -0.3223 0.7983 -0.0213 -0.0177 0.039 -2.858 -2.378 5.235 -1.02 -0.848 1.868 -0.953 -0.793 1.746 14 C 13 -0.1992 -0.0301 0.9795 0.8827 -0.4396 0.166 0.4256 0.8977 0.1141 -0.0016 -6.0E-4 0.0021 -0.845 -0.298 1.143 -0.302 -0.106 0.408 -0.282 -0.099 0.381 15 H 1 0.6953 0.4428 0.5661 -0.6062 0.7844 0.131 -0.3861 -0.4342 0.8139 -0.0157 -0.0122 0.0279 -2.103 -1.637 3.74 -0.75 -0.584 1.335 -0.702 -0.546 1.248 16 C 13 0.8534 -0.0052 0.5212 -0.2456 0.878 0.4109 -0.4598 -0.4787 0.748 -0.0091 -0.0062 0.0153 -4.85 -3.301 8.151 -1.731 -1.178 2.909 -1.618 -1.101 2.719 17 H 1 0.7918 0.1801 0.5837 -0.5274 0.6836 0.5045 0.3082 0.7073 -0.6362 -0.0039 -0.0031 0.007 -0.523 -0.417 0.94 -0.187 -0.149 0.335 -0.174 -0.139 0.313 18 C 13 0.8489 -0.0295 0.5277 -0.527 -0.1229 0.8409 -0.04 0.992 0.1199 -0.0035 -4.0E-4 0.0039 -1.842 -0.234 2.075 -0.657 -0.083 0.74 -0.614 -0.078 0.692 19 H 1 0.7893 -0.4207 -0.4472 0.5582 0.795 0.2373 0.2557 -0.4369 0.8624 -0.0037 -9.0E-4 0.0046 -1.972 -0.495 2.467 -0.704 -0.177 0.88 -0.658 -0.165 0.823 20 H 1 0.3455 0.4727 0.8107 0.8597 0.1869 -0.4754 -0.3762 0.8612 -0.3418 -0.0015 -0.0011 0.0026 -0.802 -0.572 1.374 -0.286 -0.204 0.49 -0.268 -0.191 0.458 21 H 1 0.8055 -0.4565 0.3778 0.2392 0.8338 0.4975 -0.5421 -0.3104 0.7809 -0.0572 -0.0539 0.1111 -2.207 -2.079 4.286 -0.787 -0.742 1.529 -0.736 -0.693 1.43 22 N 14 -0.4458 0.4238 0.7884 -0.1969 0.8128 -0.5482 0.8732 0.3997 0.2789 -0.0042 -0.0019 0.0061 -2.248 -1.021 3.269 -0.802 -0.364 1.167 -0.75 -0.341 1.091 23 H 1 0.1902 0.3845 0.9033 0.718 -0.682 0.1391 0.6696 0.6221 -0.4058 -0.3983 -0.3926 0.7909 -15.361 -15.143 30.505 -5.481 -5.403 10.885 -5.124 -5.051 10.175 24 N 14 0.7492 0.2033 -0.6304 0.0342 0.9386 0.3433 0.6615 -0.2788 0.6963 -0.0121 -0.0052 0.0173 -1.619 -0.704 2.323 -0.578 -0.251 0.829 -0.54 -0.235 0.775 25 C 13 0.2796 0.7941 0.5396 0.7976 0.1208 -0.591 0.5345 -0.5956 0.5996 -0.0062 -0.0053 0.0115 -3.289 -2.833 6.122 -1.173 -1.011 2.184 -1.097 -0.945 2.042 26 H 1 0.857 -0.2029 -0.4737 0.2323 0.9726 0.0036 0.46 -0.1131 0.8807 -0.0067 -0.0054 0.0121 -3.594 -2.877 6.471 -1.282 -1.026 2.309 -1.199 -0.96 2.158 27 H 1 -0.4679 -0.3658 0.8046 0.0174 0.9064 0.4222 0.8836 -0.2115 0.4177 -0.0061 -0.0043 0.0104 -3.253 -2.306 5.56 -1.161 -0.823 1.984 -1.085 -0.769 1.854 28 H 1 0.7465 -0.6187 0.2447 0.1526 0.5173 0.8421 0.6476 0.5913 -0.4806 -0.3776 -0.3739 0.7515 -50.664 -50.176 100.84 -18.078 -17.904 35.982 -16.9 -16.737 33.637 29 C 13 0.7357 -0.5426 0.4054 0.6677 0.6814 -0.2998 -0.1136 0.4912 0.8636 -0.0495 6.0E-4 0.0488 -26.408 0.347 26.062 -9.423 0.124 9.299 -8.809 0.116 8.693 30 H 1 -0.3599 0.8321 0.422 -0.5552 -0.5545 0.6199 0.7498 -0.0112 0.6616 -0.0491 4.0E-4 0.0487 -26.221 0.236 25.985 -9.356 0.084 9.272 -8.747 0.079 8.668 31 H 1 0.9359 0.3333 -0.1144 0.3201 -0.6681 0.6717 -0.1474 0.6653 0.7319 -0.0141 -0.0068 0.0208 -1.886 -0.91 2.796 -0.673 -0.325 0.998 -0.629 -0.304 0.933 32 C 13 0.9848 -0.0493 -0.1665 -0.0592 0.806 -0.589 0.1632 0.5899 0.7908 -0.007 -0.0054 0.0124 -3.726 -2.865 6.592 -1.33 -1.022 2.352 -1.243 -0.956 2.199 33 H 1 0.3499 -0.3484 0.8696 0.9146 0.3278 -0.2367 -0.2026 0.8782 0.4333 -0.0063 -0.0054 0.0116 -3.338 -2.876 6.214 -1.191 -1.026 2.217 -1.113 -0.959 2.073 34 H 1 PT10653.800S Tue Jul 2 15:45:54 2024 -19.28030 -14.53440 -14.47603 -14.45894 -14.45558 -14.45041 -14.44445 -10.41303 -10.39249 -10.38853 -10.38147 -10.37962 -10.35846 -10.34564 -10.34517 -10.33534 -10.32941 -10.32095 -10.32092 -10.30932 -6.87077 -1.19005 -1.12864 -1.06821 -1.06412 -1.03632 -1.01230 -1.00350 -0.96329 -0.92077 -0.83677 -0.82923 -0.82105 -0.80410 -0.78451 -0.78216 -0.74624 -0.70324 -0.69012 -0.63528 -0.63458 -0.62088 -0.60684 -0.58939 -0.58704 -0.58219 -0.57968 -0.57148 -0.56479 -0.56099 -0.55781 -0.54882 -0.50125 -0.49515 -0.49048 -0.48708 -0.48500 -0.48148 -0.47789 -0.47252 -0.46817 -0.46275 -0.45399 -0.43845 -0.43118 -0.42572 -0.42139 -0.41887 -0.40766 -0.40547 -0.38525 -0.37574 -0.32691 -0.22638 -0.05192 -0.02621 -0.01460 0.00820 0.06509 0.08390 0.09029 0.10277 0.11077 0.11446 0.12144 0.13086 0.13490 0.13870 0.14922 0.15356 0.15877 0.16117 0.16538 0.16964 0.17657 0.17732 0.18376 0.19099 0.19711 0.20407 0.20830 0.22080 0.22474 0.22672 0.23115 0.23932 0.24542 0.25057 0.25505 0.25925 0.26483 0.26809 0.27327 0.28300 0.28582 0.29104 0.29755 0.30296 0.30575 0.31505 0.32026 0.32211 0.32541 0.33620 0.33805 0.34010 0.34631 0.35050 0.36501 0.36603 0.37391 0.37707 0.37793 0.38377 0.38636 0.39151 0.39663 0.40003 0.40408 0.40890 0.41463 0.41861 0.42910 0.43669 0.44075 0.44414 0.44977 0.45457 0.45728 0.45949 0.46281 0.46858 0.46881 0.47168 0.48098 0.48571 0.48699 0.49457 0.49782 0.50457 0.50956 0.52113 0.52375 0.52909 0.53010 0.53451 0.54073 0.54252 0.54423 0.54985 0.55369 0.56034 0.56149 0.57096 0.57261 0.57996 0.58583 0.58962 0.59567 0.60106 0.60356 0.60729 0.61363 0.61804 0.62865 0.63953 0.64266 0.65453 0.65886 0.66187 0.66495 0.67298 0.68023 0.68545 0.69230 0.69408 0.70297 0.70580 0.70789 0.71192 0.71565 0.72830 0.73394 0.73856 0.74798 0.74929 0.75398 0.76499 0.77086 0.77728 0.78597 0.79160 0.79729 0.79963 0.80601 0.81000 0.81837 0.82496 0.83250 0.83893 0.84182 0.84920 0.85887 0.86988 0.87190 0.88033 0.88576 0.89236 0.89800 0.90684 0.91625 0.92307 0.92676 0.93245 0.93898 0.94445 0.94849 0.96074 0.97240 0.97842 0.98548 0.98791 0.99992 1.00433 1.00872 1.01231 1.02218 1.02767 1.03054 1.04091 1.04870 1.05618 1.06220 1.06802 1.07038 1.07527 1.08120 1.08805 1.10140 1.10825 1.11718 1.12110 1.12898 1.13556 1.14252 1.14968 1.15582 1.15880 1.16424 1.17078 1.17588 1.18693 1.19035 1.19669 1.20278 1.21919 1.22681 1.23765 1.24779 1.26570 1.26960 1.27744 1.27932 1.29494 1.29884 1.30613 1.30652 1.31195 1.31956 1.33182 1.33603 1.33901 1.34370 1.34786 1.35299 1.35626 1.35871 1.36705 1.37361 1.38197 1.38438 1.39265 1.39989 1.40102 1.40832 1.41997 1.42451 1.42789 1.42943 1.45131 1.45215 1.45815 1.47021 1.47265 1.48194 1.48398 1.49087 1.49492 1.50628 1.51555 1.51897 1.52120 1.53005 1.53552 1.53788 1.54545 1.55110 1.56003 1.56604 1.57180 1.58683 1.59530 1.60327 1.60937 1.61637 1.61761 1.62661 1.62740 1.63149 1.64032 1.65134 1.66099 1.67212 1.67549 1.68716 1.69538 1.69895 1.70575 1.71541 1.72259 1.72388 1.73724 1.74156 1.74301 1.75197 1.77596 1.77989 1.78692 1.79325 1.80236 1.82169 1.82466 1.83162 1.83718 1.84464 1.85472 1.85978 1.86848 1.87346 1.89155 1.90136 1.90228 1.91787 1.92400 1.93276 1.93833 1.94280 1.96391 1.98434 1.99408 1.99857 2.00694 2.01415 2.03035 2.04589 2.05387 2.06469 2.06915 2.08578 2.08961 2.09293 2.10667 2.12321 2.13029 2.13401 2.13831 2.15176 2.17204 2.18183 2.18804 2.22778 2.25232 2.25700 2.28929 2.30440 2.31196 2.32053 2.32550 2.34599 2.35494 2.37001 2.38069 2.38173 2.38587 2.38879 2.40040 2.40814 2.41638 2.41718 2.44124 2.44672 2.44700 2.47555 2.48076 2.50856 2.51752 2.52225 2.53510 2.54588 2.55062 2.56117 2.57212 2.58585 2.59422 2.60376 2.60894 2.61177 2.62417 2.62915 2.63846 2.65420 2.66496 2.66991 2.68132 2.69212 2.69942 2.71151 2.71415 2.72480 2.72761 2.74032 2.74796 2.74841 2.75853 2.76568 2.77368 2.78931 2.79551 2.79817 2.80941 2.81416 2.81690 2.83138 2.83544 2.85409 2.85933 2.86260 2.86669 2.87259 2.88445 2.88973 2.89528 2.89877 2.91349 2.92080 2.92456 2.93904 2.95241 2.95471 2.96435 2.97449 2.97799 2.97933 2.98423 2.99567 2.99721 3.00594 3.01595 3.01913 3.02404 3.02911 3.03257 3.04517 3.04607 3.05216 3.05691 3.06373 3.07514 3.07635 3.08670 3.08905 3.09252 3.10921 3.11763 3.12052 3.12566 3.13123 3.14308 3.14760 3.15644 3.16303 3.16688 3.16897 3.17713 3.18403 3.18902 3.19474 3.20110 3.20625 3.20985 3.21556 3.22277 3.22484 3.23155 3.23385 3.25153 3.25804 3.26054 3.26421 3.26827 3.27317 3.27740 3.28606 3.28982 3.30023 3.31351 3.32236 3.32789 3.33978 3.34300 3.35507 3.35932 3.37063 3.38283 3.39121 3.39846 3.40709 3.41052 3.42185 3.43803 3.44060 3.44555 3.44927 3.45450 3.45971 3.47156 3.47438 3.47736 3.48371 3.48743 3.49382 3.50933 3.52070 3.52730 3.52913 3.54206 3.54491 3.55625 3.55833 3.56604 3.57938 3.58229 3.59143 3.60362 3.61172 3.61948 3.62662 3.63851 3.65012 3.65769 3.67223 3.68148 3.69273 3.69932 3.70604 3.71146 3.72607 3.73159 3.75415 3.75625 3.75865 3.76076 3.77596 3.78768 3.79460 3.81339 3.81743 3.81956 3.82752 3.83981 3.84320 3.84852 3.86071 3.86833 3.87628 3.87809 3.88760 3.89098 3.91052 3.91618 3.92432 3.93440 3.93629 3.94424 3.95207 3.95829 3.96683 3.97534 3.98751 3.99404 4.00204 4.01142 4.02160 4.02703 4.03544 4.04344 4.04994 4.05669 4.05877 4.05961 4.06527 4.07348 4.08342 4.08609 4.09185 4.09626 4.10482 4.11404 4.12413 4.13572 4.14269 4.15124 4.15834 4.18152 4.18974 4.19620 4.20869 4.21157 4.21663 4.22757 4.23732 4.24310 4.25236 4.26360 4.26733 4.28131 4.28771 4.29327 4.30662 4.31648 4.32049 4.32399 4.34406 4.34701 4.35508 4.37090 4.38168 4.38942 4.40032 4.41959 4.43367 4.43415 4.45447 4.46458 4.47280 4.48876 4.49837 4.51073 4.51848 4.52652 4.54674 4.56561 4.57920 4.58478 4.59502 4.62536 4.63343 4.63873 4.64619 4.65704 4.66276 4.66728 4.67041 4.68092 4.68373 4.70123 4.70473 4.71895 4.72188 4.72794 4.74999 4.75481 4.76806 4.76851 4.77696 4.77968 4.78178 4.80706 4.81087 4.85367 4.85969 4.88088 4.89705 4.90843 4.92184 4.92912 4.94877 4.96811 4.98696 4.98769 4.99149 5.01563 5.01873 5.03595 5.04312 5.05533 5.06337 5.07689 5.07947 5.08270 5.09686 5.10009 5.10603 5.12575 5.13481 5.13581 5.15120 5.17156 5.18177 5.20441 5.21780 5.22607 5.23038 5.23452 5.24259 5.24348 5.25826 5.26106 5.26674 5.27402 5.28618 5.29445 5.30293 5.30585 5.31077 5.31341 5.33325 5.34067 5.34261 5.35621 5.35948 5.36809 5.37682 5.38290 5.39460 5.40421 5.41317 5.43187 5.43799 5.44031 5.45952 5.47870 5.49325 5.49816 5.51563 5.51987 5.54856 5.56763 5.57525 5.58941 5.61536 5.62068 5.63228 5.65559 5.67005 5.68026 5.70031 5.70470 5.70780 5.71975 5.72357 5.72975 5.74284 5.75239 5.75459 5.78015 5.79241 5.79869 5.80179 5.80594 5.81313 5.85980 5.89360 5.99244 6.00115 6.04069 6.05201 6.06085 6.10779 6.12343 6.13494 6.19951 6.21082 6.22883 6.23206 6.24623 6.25365 6.27412 6.45059 6.55200 6.69668 6.79861 6.88287 6.91446 7.18445 7.19767 16.06645 23.04290 23.08275 23.10666 23.18484 23.25325 23.31487 23.48509 23.51815 23.59764 23.60329 23.68652 23.73764 23.85975 32.20405 32.22309 32.65172 32.73623 33.00386 33.03507 44.06956 -19.28030 -14.53354 -14.47027 -14.45892 -14.45560 -14.45040 -14.44443 -10.41303 -10.39248 -10.38850 -10.38157 -10.37977 -10.35844 -10.34537 -10.34477 -10.33534 -10.32942 -10.32122 -10.32111 -10.30169 -6.87076 -1.19005 -1.12735 -1.06813 -1.05099 -1.03630 -1.01228 -1.00348 -0.96229 -0.92032 -0.83671 -0.82781 -0.80840 -0.80384 -0.78363 -0.78186 -0.74616 -0.70236 -0.67695 -0.63508 -0.63421 -0.62073 -0.60595 -0.58751 -0.58235 -0.57819 -0.57432 -0.57116 -0.56014 -0.55775 -0.55312 -0.54832 -0.50052 -0.49388 -0.49017 -0.48522 -0.48315 -0.48064 -0.47388 -0.46915 -0.46797 -0.46270 -0.45340 -0.43802 -0.43107 -0.42402 -0.42026 -0.41772 -0.40602 -0.39406 -0.37557 -0.35273 -0.32673 -0.05191 -0.02878 -0.01612 0.00427 0.04547 0.06536 0.08417 0.09073 0.10291 0.11081 0.11486 0.12181 0.13126 0.13486 0.13902 0.15051 0.15410 0.16038 0.16284 0.16673 0.17015 0.17728 0.17832 0.18429 0.19209 0.19751 0.20586 0.20915 0.22152 0.22500 0.22679 0.23206 0.23972 0.24630 0.25175 0.25573 0.25964 0.26508 0.26850 0.27400 0.28313 0.28600 0.29138 0.29774 0.30329 0.30614 0.31552 0.32062 0.32466 0.32776 0.33767 0.33931 0.34067 0.34635 0.35101 0.36573 0.36671 0.37421 0.37752 0.37847 0.38425 0.38656 0.39256 0.39815 0.40146 0.40596 0.40929 0.41654 0.42020 0.42997 0.43904 0.44197 0.44593 0.45114 0.45638 0.45743 0.45995 0.46442 0.46886 0.46974 0.47203 0.48174 0.48653 0.48782 0.49516 0.49800 0.50579 0.50967 0.52241 0.52438 0.52995 0.53211 0.53607 0.54139 0.54288 0.54476 0.55048 0.55502 0.56204 0.56477 0.57152 0.57623 0.58073 0.58724 0.59181 0.59822 0.60148 0.60410 0.60855 0.61413 0.61837 0.63064 0.64004 0.64347 0.65486 0.65915 0.66196 0.66595 0.67376 0.68098 0.68567 0.69278 0.69535 0.70318 0.70607 0.70849 0.71262 0.71597 0.72971 0.73457 0.73911 0.74836 0.74991 0.75451 0.76569 0.77198 0.77752 0.78610 0.79354 0.79834 0.80007 0.80684 0.81133 0.81878 0.82518 0.83323 0.83915 0.84208 0.84980 0.85987 0.87076 0.87238 0.88127 0.88655 0.89265 0.89923 0.90971 0.91647 0.92351 0.92742 0.93294 0.93936 0.94459 0.94942 0.96119 0.97325 0.97890 0.98678 0.98837 1.00141 1.00534 1.00967 1.01335 1.02296 1.02904 1.03091 1.04492 1.04946 1.05723 1.06297 1.06849 1.07082 1.07572 1.08182 1.08888 1.10180 1.10865 1.11761 1.12201 1.12974 1.13605 1.14291 1.15045 1.15756 1.15986 1.16609 1.17175 1.17641 1.18779 1.19206 1.19757 1.20383 1.22035 1.22829 1.23903 1.24861 1.26762 1.27115 1.27856 1.28248 1.29589 1.30031 1.30692 1.30784 1.31271 1.32212 1.33313 1.33631 1.34104 1.34459 1.34918 1.35466 1.35673 1.35945 1.36803 1.37464 1.38336 1.38544 1.39372 1.40055 1.40144 1.40901 1.42026 1.42503 1.42809 1.43056 1.45272 1.45330 1.45872 1.47150 1.47372 1.48320 1.48525 1.49215 1.49596 1.50719 1.51628 1.52000 1.52245 1.53066 1.53671 1.53867 1.54665 1.55238 1.56049 1.56754 1.57219 1.58754 1.59577 1.60373 1.61032 1.61791 1.61855 1.62731 1.62794 1.63869 1.64057 1.65178 1.66295 1.67281 1.67634 1.68906 1.69719 1.69994 1.70644 1.71634 1.72348 1.72490 1.73837 1.74314 1.74436 1.75322 1.77724 1.78313 1.78783 1.79395 1.80317 1.82222 1.82564 1.83292 1.83896 1.84598 1.85596 1.86069 1.86859 1.87683 1.89272 1.90285 1.90561 1.92556 1.93209 1.93679 1.93971 1.94564 1.96541 1.98777 1.99638 2.00085 2.00725 2.01630 2.03132 2.04806 2.05561 2.06595 2.07128 2.08614 2.09133 2.09391 2.10778 2.12433 2.13227 2.13535 2.13963 2.15247 2.17581 2.18270 2.18979 2.22968 2.25299 2.25791 2.28966 2.30474 2.31221 2.32089 2.32587 2.34641 2.35733 2.37192 2.38113 2.38415 2.38665 2.38910 2.40103 2.40874 2.41664 2.41739 2.44155 2.44733 2.44766 2.47591 2.48180 2.50928 2.51796 2.52296 2.53529 2.54600 2.55188 2.56481 2.57293 2.58880 2.59538 2.60681 2.61106 2.61329 2.62764 2.63110 2.63975 2.65498 2.66677 2.67041 2.68266 2.69385 2.70217 2.71220 2.71635 2.72590 2.73050 2.74082 2.74890 2.75069 2.75937 2.76671 2.77487 2.78967 2.79614 2.80027 2.80986 2.81451 2.81950 2.83231 2.83583 2.85485 2.86094 2.86442 2.86767 2.87313 2.88570 2.89309 2.89613 2.90361 2.91504 2.92336 2.92903 2.94179 2.95314 2.95756 2.96603 2.97697 2.97872 2.98314 2.98575 2.99768 3.00262 3.00900 3.01799 3.02367 3.02716 3.03169 3.03550 3.04592 3.04778 3.05529 3.05791 3.06519 3.07648 3.07755 3.08815 3.09067 3.09415 3.11118 3.11826 3.12256 3.12808 3.13265 3.14548 3.14818 3.15741 3.16460 3.16758 3.17122 3.17792 3.18568 3.18948 3.19510 3.20302 3.20775 3.21184 3.21637 3.22467 3.22698 3.23209 3.23477 3.25249 3.25985 3.26164 3.26714 3.26902 3.27499 3.27839 3.28662 3.29023 3.30600 3.31446 3.32364 3.32990 3.34010 3.34651 3.35804 3.36267 3.37159 3.38354 3.39470 3.40276 3.40824 3.41116 3.42271 3.43896 3.44152 3.44812 3.45079 3.45572 3.46624 3.47215 3.47510 3.47850 3.48484 3.48948 3.49706 3.50996 3.52219 3.53010 3.53074 3.54514 3.54732 3.55678 3.55971 3.56700 3.58042 3.58561 3.59573 3.60437 3.61278 3.62043 3.62776 3.64246 3.65105 3.65869 3.67364 3.68471 3.69403 3.70283 3.70816 3.71214 3.72729 3.73245 3.75574 3.75790 3.76024 3.76325 3.77749 3.78918 3.79652 3.81407 3.81797 3.82067 3.83101 3.84065 3.84483 3.85356 3.86348 3.86970 3.87718 3.87896 3.88824 3.89233 3.91208 3.91691 3.92646 3.93652 3.93960 3.94651 3.95286 3.95948 3.96817 3.97574 3.98867 3.99476 4.00495 4.01415 4.02202 4.02787 4.03602 4.04376 4.05234 4.05680 4.05913 4.05987 4.06561 4.07395 4.08545 4.08818 4.09333 4.09803 4.10562 4.11592 4.12598 4.13680 4.14371 4.15205 4.15850 4.18312 4.19083 4.19726 4.20987 4.21257 4.21783 4.22868 4.23931 4.24425 4.25296 4.26474 4.26861 4.28212 4.28903 4.29378 4.30722 4.31776 4.32155 4.32553 4.34529 4.34792 4.35695 4.37345 4.38270 4.39004 4.40161 4.42038 4.43423 4.43446 4.45497 4.46524 4.47360 4.48949 4.50108 4.51282 4.51916 4.52670 4.54711 4.56602 4.57932 4.58578 4.59690 4.62613 4.63368 4.63892 4.64670 4.65960 4.66302 4.66737 4.67133 4.68271 4.68969 4.70154 4.70514 4.71915 4.72331 4.72949 4.75055 4.75820 4.76844 4.76926 4.77785 4.78242 4.78734 4.80758 4.81137 4.85404 4.85991 4.88138 4.89983 4.90905 4.92218 4.93484 4.94960 4.96840 4.98807 4.98894 4.99913 5.01929 5.02483 5.03718 5.04636 5.05679 5.06528 5.07838 5.08139 5.08435 5.09924 5.10531 5.10706 5.12898 5.13853 5.14063 5.15228 5.17255 5.18285 5.20493 5.21885 5.22871 5.23109 5.23647 5.24361 5.24481 5.25933 5.26162 5.26763 5.27444 5.28689 5.29797 5.30483 5.30756 5.31194 5.31478 5.33644 5.34293 5.34423 5.35852 5.36232 5.37144 5.37847 5.38475 5.39785 5.40841 5.41457 5.43289 5.43887 5.44155 5.46315 5.48456 5.49397 5.49894 5.51907 5.52669 5.54938 5.56917 5.58112 5.59164 5.61836 5.62649 5.63474 5.65588 5.67471 5.68296 5.70111 5.70509 5.70853 5.72296 5.72540 5.73273 5.74301 5.75407 5.75633 5.78073 5.79292 5.79932 5.80197 5.80794 5.81412 5.86035 5.89368 5.99899 6.00190 6.04127 6.05574 6.06303 6.10867 6.12457 6.13736 6.20569 6.21117 6.22925 6.23216 6.24627 6.25371 6.27462 6.45060 6.55201 6.69670 6.79883 6.88288 6.91447 7.18445 7.19767 16.06644 23.04320 23.08277 23.10666 23.18518 23.25330 23.31488 23.48510 23.52952 23.59768 23.60332 23.68670 23.73739 23.85989 32.20407 32.22310 32.65175 32.73624 33.00848 33.03785 44.06956 2-A. 11.0261 -3.3051 0.0053 11.5108 -144.5684 -124.5502 -121.7773 -12.5896 6.3018 -12.0687 -14.2698 5.7485 8.5213 -12.5896 6.3018 -12.0687 218.2763 -62.9595 -11.4654 116.5249 8.8840 41.7230 17.6424 -6.7153 -29.7293 23.1116 -5511.6434 -3271.6132 -795.5681 -409.2161 57.9022 -121.1965 -149.4677 5.4417 -53.3228 -1483.6538 -905.1344 -744.6210 -113.2787 52.7737 14.4091 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 BPR 2024-07-02T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-932.3369957 S2=0.755358 S2-1=0. S2A=0.750021 RMSD=9.117e-09 Dipole=-4.4058076,0.0283609,1.0474132 Quadrupole=-0.2214561,-2.483976,2.705432,13.1195266,8.9198658,4.1349116 PG=C01 [X(C13H14B1N6O1)] 0 2.4632504855 -0.3002957043 -0.5854252126 0 1.9542547756 -1.5859877608 0.0265160187 0 1.3967420784 0.7592438578 -0.7536268214 0 2.8804566906 -2.7141861501 -0.0237815028 0 1.7797946896 1.9260392615 -1.5449219643 0 0.7983727688 -1.7175715264 0.5300689539 0 0.2262059062 0.6686132303 -0.2757518086 0 3.5916777793 -3.6245582402 -0.0524344382 0 2.0362298631 2.8724710716 -2.1567947228 0 3.5985453678 -0.147401332 -0.9532880343 0 -0.0905179703 -0.5012674802 0.6262492417 0 -2.0065417637 -2.1453042473 0.8607193539 0 -2.4752507148 -0.1113967323 -0.1852309231 0 -3.324759046 -2.545293618 0.7659162747 0 -1.2238387796 -2.7643513066 1.3014425171 0 -3.8144168008 -0.4673778965 -0.3345447435 0 -2.0560501121 0.8143216671 -0.5725511274 0 -4.247657733 -1.6912950603 0.1499475592 0 -3.6212573528 -3.5179727748 1.1581317903 0 -4.4976915261 0.2273167604 -0.8232522331 0 -5.2931440219 -1.9891610011 0.048599429 0 -1.596937292 -0.9543849547 0.3831550361 0 -0.0263715385 -0.0920553005 1.7848122225 0 -1.6724419675 2.9849849676 1.6049797165 0 -0.4705429244 2.8717358073 2.3942370551 0 -0.0524317074 3.8723315405 2.5860280071 0 -0.6997503358 2.4022017636 3.3602456149 0 0.3023761196 2.265766667 1.8876953959 0 -2.6775587797 2.0620171073 1.742130332 0 -2.7289128453 1.5288329187 2.6941704412 0 -3.6165081126 2.288433514 1.2288128616 0 -1.5354024666 3.6988712261 0.3572027444 0 -2.5277034878 3.8895332737 -0.0760538609 0 -1.0439123816 4.6686925746 0.5276983534 0 -0.9290384941 3.129008297 -0.3720401165