Gaussian 16 GINC-NODO01 NSF coments ES64L-G16RevC.02 28-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 36 36 70 71 345 (5D, 7F) def2SVP 102 102 C1[X(C13H19BIN2)] C1[X(C13H19BIN2)] UwB97XD def2SVP FOpt #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 321.86796999999996 0 2 AuxInfo=1/0/N:2,1,3,6,4,13,14,5,12,11,21,17,18;23,27,31,22/E:(2,3)(4,5)(6,7)(12,13);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4;4.3/rA:36nC3C3C3C3C3C3HHHHB4C3C3C3HHNNHHIC3CHHHCHHHCHHHHH/rB:s1;s2;s3;s4;s1s5;s1;s3;s4;s6;s5;s11;;s13;s13;s14;s12s13;s12s14;s18;s11;s11;;s22;s23;s23;s23;s22;s27;s27;s27;s22;s31;s31;s31;s17;s2;/rC:-3.5128,-.6312,.9942;-3.6813,.2272,-.0911;-2.5641,.6761,-.7991;-1.2921,.2697,-.4101;-1.0882,-.5878,.6866;-2.2307,-1.0262,1.3727;-4.3849,-.994,1.5413;-2.6936,1.3337,-1.661;-.4306,.6155,-.9888;-2.1125,-1.7009,2.2243;.3774,-1.0173,1.185;1.294,.2771,1.4562;3.0316,1.645,1.8389;1.896,2.3601,2.0503;4.075,1.9359,1.8955;1.7495,3.3956,2.3389;2.6286,.3765,1.4859;.8488,1.4936,1.8053;-.1423,1.7093,1.8416;.3614,-1.677,2.2099;1.5099,-2.3005,-.3514;3.6788,1.8586,-1.2248;4.5926,.7004,-1.458;4.0789,-.2625,-1.3031;4.9777,.6822,-2.4989;5.4815,.7394,-.8051;2.2406,1.7441,-1.6096;1.8781,.7078,-1.5178;1.6032,2.399,-.9893;2.0676,2.0516,-2.6616;4.2621,3.2212,-1.0381;3.5626,3.895,-.5157;5.2063,3.1928,-.4693;4.4967,3.7052,-2.0089;3.2186,-.394,1.1805;-4.6624,.5409,-.3807; /usr/local/CompChem/Gaussian/g16/g16 Output=47_tBuI_p.log chk=47_tBuI_p.chk Mem=12000MB NProc=12 #p wB97xD/Def2SVP opt freq SCF=(XQC) gfprint gfinput 1/18=20,19=15,26=3,38=1/1,3 2/9=110,12=2,17=6,18=5,40=1/2 3/5=43,7=101,11=2,24=110,25=1,30=1,71=1,74=-58/1,2,3 4//1 5/5=2,8=3,13=1,38=5/2,8 6/7=2,8=2,9=2,10=2,28=1/1 7//1,2,3,16 1/18=20,19=15,26=3/3(2) 2/9=110/2 99//99 2/9=110/2 3/5=43,7=101,11=2,25=1,30=1,71=1,74=-58/1,2,3 4/5=5,16=3,69=1/1 5/5=2,8=3,13=1,38=5/2,8 7//1,2,3,16 1/18=20,19=15,26=3/3(-5) 2/9=110/2 6/7=2,8=2,9=2,10=2,19=2,28=1/1 99/9=1/99 coments 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 12 12 12 12 12 12 1 1 1 1 11 12 12 12 1 1 14 14 1 1 127 12 12 1 1 1 12 1 1 1 12 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 1.0078250 1.0078250 126.9004000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 1 1 1 3 0 0 0 1 1 2 2 1 1 5 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 -0.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 1 1 1 2 2 3 3 4 4 5 5 6 9 11 11 11 12 12 13 13 13 14 14 17 18 22 22 22 23 23 23 27 27 27 31 31 31 2 6 7 3 36 4 8 5 9 6 11 10 28 12 20 21 17 18 14 15 17 16 18 35 19 23 27 31 24 25 26 28 29 30 32 33 34 1.394 1.3939 1.0916 1.3968 1.07 1.3908 1.0918 1.4069 1.094 1.403 1.6066 1.0928 2.3703 1.6091 1.2189 2.3 1.3386 1.3416 1.3585 1.0846 1.3771 1.0849 1.3811 1.0174 1.0149 1.4937 1.4932 1.4938 1.1023 1.11 1.1036 1.1017 1.1045 1.1096 1.1029 1.1026 1.1099 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 5 5 5 12 12 20 11 11 17 14 14 15 13 13 16 12 12 13 12 12 14 23 23 27 22 22 22 24 24 25 22 22 22 28 28 29 9 22 22 22 32 32 33 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 9 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 17 17 17 18 18 18 22 22 22 23 23 23 23 23 23 27 27 27 27 27 27 28 31 31 31 31 31 31 6 7 7 3 36 36 4 8 8 5 9 9 6 11 11 5 10 10 28 12 20 21 20 21 21 17 18 18 15 17 17 16 18 18 13 35 35 14 19 19 27 31 31 24 25 26 25 26 26 28 29 30 29 30 30 27 32 33 34 33 34 34 119.8129 119.8871 120.2996 119.7252 120.1374 120.1374 119.7216 119.9199 120.3544 121.9159 118.6752 119.3992 116.9792 122.4782 120.5051 121.8424 119.0824 119.0743 153.8223 110.9093 113.1792 113.0238 107.5249 106.3122 105.4384 129.1529 125.7453 104.9397 130.9066 106.2674 122.8176 131.0449 106.0203 122.9309 111.4609 121.0221 127.2178 111.3084 121.7458 126.9182 119.3114 119.2026 118.573 111.7323 111.7987 111.8965 106.2115 108.8535 106.0217 111.5714 111.4501 111.9125 108.7241 106.7607 106.1483 112.0716 111.6419 112.0468 111.7809 108.3293 106.3755 106.3446 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 6 6 7 7 2 2 7 7 1 1 36 36 2 2 8 8 3 3 9 9 3 5 4 4 11 11 4 4 4 6 6 6 4 5 5 20 20 21 21 11 11 18 18 11 11 17 17 15 15 17 17 14 14 15 15 13 13 16 16 27 27 27 31 31 31 23 23 23 31 31 31 23 23 23 27 27 27 22 29 30 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 9 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 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 27 27 27 2 2 2 2 6 6 6 6 3 3 3 3 4 4 4 4 5 5 5 5 9 9 6 6 6 6 11 11 11 11 11 11 28 12 12 12 12 12 12 17 17 17 17 18 18 18 18 14 14 14 14 17 17 17 17 18 18 18 18 23 23 23 23 23 23 27 27 27 27 27 27 31 31 31 31 31 31 28 28 28 3 36 3 36 5 10 5 10 4 8 4 8 5 9 5 9 6 11 6 11 28 28 1 10 1 10 12 20 21 12 20 21 27 17 18 17 18 17 18 13 35 13 35 14 19 14 19 16 18 16 18 12 35 12 35 12 19 12 19 24 25 26 24 25 26 28 29 30 28 29 30 32 33 34 32 33 34 9 9 9 0.5617 -179.4383 -179.204 0.796 -0.2499 -179.8932 179.5149 -0.1284 -0.4062 178.8655 179.5938 -1.1345 -0.0683 178.7963 -179.3368 -0.4723 0.3712 -177.4112 -178.4854 3.7322 -176.4425 2.4513 -0.2112 179.4321 177.6175 -2.7392 53.565 174.5114 -65.7134 -124.1412 -3.1948 116.5804 -130.1112 -157.9127 27.4283 77.858 -96.8011 -34.679 150.6619 -176.0178 9.8299 -0.5024 -174.6547 175.9211 -5.8672 0.2055 178.4172 -0.7964 178.4898 -179.7358 -0.4496 0.6112 174.3166 -178.435 -4.7297 0.161 -177.9368 179.5196 1.4218 -35.3091 83.5797 -157.6619 164.2708 -76.8405 41.9179 31.0036 152.7535 -88.5522 -168.4531 -46.7032 71.9911 -158.6819 -36.9663 82.2941 40.7532 162.4688 -78.2708 149.883 26.5701 -87.5579 estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|estimate D2E/DX2|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 363 A 345 A 600 363 1380.7912621047 36 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 24 out of a maximum of 189 All quantities printed in internal units (Hartrees-Bohrs-Radians) 0.00032 0.00194 0.00437 0.00674 0.00794 0.00853 0.00913 0.01021 0.01383 0.01477 0.01679 0.01808 0.02100 0.02113 0.02137 0.02150 0.02172 0.02176 0.02188 0.02228 0.02311 0.02429 0.02709 0.03763 0.04349 0.04995 0.05762 0.06338 0.06892 0.07061 0.07097 0.07149 0.07192 0.07334 0.09375 0.10738 0.11642 0.13309 0.14396 0.15582 0.15864 0.15953 0.15982 0.15998 0.15999 0.16000 0.16002 0.16002 0.16007 0.16013 0.16049 0.16065 0.16457 0.16796 0.17604 0.19799 0.21874 0.22077 0.22456 0.23011 0.23189 0.23329 0.23432 0.23507 0.23753 0.24293 0.24869 0.25730 0.28362 0.32608 0.32613 0.32644 0.32962 0.33146 0.33182 0.33193 0.33314 0.33366 0.33390 0.33580 0.33788 0.34484 0.34552 0.34618 0.34682 0.35412 0.35452 0.39891 0.41956 0.42088 0.43354 0.44922 0.45262 0.45591 0.45932 0.46598 0.47005 0.49044 0.50580 0.55332 0.56058 1.54599 -2.09777492e-08 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 2.63343 2.63813 2.06533 2.63761 2.06476 2.63352 2.06541 2.65948 2.06859 2.65288 3.03294 2.06636 4.49712 3.04046 2.30432 4.36008 2.53047 2.53465 2.56760 2.04971 2.60250 2.05009 2.60936 1.92218 1.91876 2.82251 2.82148 2.82290 2.08313 2.09768 2.08560 2.08170 2.08685 2.09707 2.08440 2.08374 2.09754 2.09595 2.09418 2.09305 2.08443 2.09976 2.09898 2.09411 2.09486 2.09418 2.12592 2.07539 2.08172 2.04147 2.13846 2.10222 2.12448 2.08280 2.07589 2.68451 1.93275 1.97999 1.98381 1.87570 1.84829 1.83431 2.26025 2.18857 1.83164 2.28456 1.85471 2.14377 2.28657 1.85047 2.14607 1.94486 2.11167 2.22121 1.94304 2.11851 2.22090 2.08252 2.08106 2.06985 1.94931 1.95167 1.95284 1.85388 1.90013 1.85056 1.94798 1.94571 1.95294 1.89655 1.86315 1.85284 1.97534 1.94795 1.95562 1.95152 1.89046 1.85658 1.85630 0.00365 3.13940 -3.13576 -0.00001 -0.00383 -3.13995 3.13557 -0.00054 -0.00086 3.13068 -3.13662 -0.00508 -0.00186 3.12074 -3.13341 -0.01081 0.00171 -3.09128 -3.12082 0.06937 3.11075 -0.04935 0.00113 3.13727 3.09519 -0.05186 0.95719 3.06794 -1.12082 -2.13416 -0.02341 2.07102 -2.18583 -2.78016 0.45310 1.33159 -1.71834 -0.62207 2.61119 -3.07337 0.17230 -0.00908 -3.04660 3.07220 -0.10767 0.00377 3.10709 -0.01377 3.11465 -3.13646 -0.00804 0.01099 3.04044 -3.11360 -0.08415 0.00282 -3.09772 3.13256 0.03202 -0.61714 1.45778 -2.75231 2.86254 -1.34573 0.72737 0.54243 2.66689 -1.54427 -2.93508 -0.81062 1.26141 -2.76338 -0.63974 1.44246 0.71385 2.83748 -1.36350 2.61808 0.46544 -1.52611 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 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 0.00001 -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 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 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 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 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 -0.00002 -0.00000 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 0.00008 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00000 -0.00001 0.00001 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00001 -0.00001 0.00000 -0.00000 0.00000 0.00003 -0.00001 -0.00000 -0.00003 0.00003 -0.00000 0.00002 -0.00001 0.00001 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00001 -0.00002 0.00000 0.00001 -0.00001 0.00004 0.00003 -0.00001 0.00000 0.00002 -0.00000 -0.00005 0.00002 -0.00000 0.00002 -0.00002 0.00002 -0.00003 0.00004 -0.00003 -0.00002 -0.00001 -0.00000 0.00002 -0.00001 0.00000 -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 -0.00001 -0.00001 -0.00001 -0.00001 0.00003 0.00003 0.00002 0.00003 -0.00011 -0.00011 -0.00002 -0.00001 -0.00002 -0.00002 0.00006 0.00008 0.00009 0.00006 0.00009 0.00009 0.00043 -0.00009 -0.00009 -0.00010 -0.00009 -0.00013 -0.00013 -0.00005 0.00002 -0.00006 0.00002 0.00004 0.00003 0.00005 0.00003 0.00001 0.00002 -0.00003 -0.00002 0.00005 -0.00003 0.00001 -0.00006 -0.00002 -0.00000 -0.00001 0.00001 -0.00002 -0.00006 -0.00005 -0.00020 -0.00024 -0.00023 -0.00044 -0.00048 -0.00052 -0.00026 -0.00030 -0.00033 0.00002 0.00000 0.00000 -0.00017 -0.00019 -0.00018 0.00000 0.00004 0.00006 -0.00000 -0.00000 0.00000 -0.00001 0.00004 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 -0.00000 0.00029 0.00000 0.00001 -0.00006 0.00000 -0.00001 -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 0.00001 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00002 -0.00002 0.00001 -0.00000 -0.00000 -0.00000 0.00002 -0.00002 -0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 0.00000 -0.00000 0.00010 -0.00000 -0.00002 0.00002 -0.00004 0.00002 0.00002 -0.00002 0.00003 0.00000 -0.00000 0.00000 0.00000 0.00001 -0.00000 -0.00001 -0.00000 -0.00001 0.00002 0.00000 -0.00001 0.00001 0.00004 -0.00002 -0.00004 0.00001 0.00000 -0.00001 0.00003 -0.00002 -0.00001 0.00004 -0.00001 0.00001 -0.00004 0.00001 -0.00003 0.00001 0.00001 0.00000 0.00000 0.00000 -0.00001 -0.00001 -0.00000 -0.00003 -0.00001 -0.00003 -0.00000 0.00001 0.00000 0.00001 -0.00001 0.00003 0.00002 0.00005 0.00002 0.00003 -0.00001 -0.00000 -0.00003 -0.00006 -0.00003 -0.00006 0.00009 0.00009 0.00002 0.00001 0.00004 0.00004 0.00002 -0.00004 -0.00001 -0.00001 -0.00007 -0.00004 0.00024 0.00022 0.00013 0.00027 0.00018 0.00025 0.00017 0.00008 0.00001 0.00016 0.00009 -0.00006 0.00002 -0.00013 -0.00005 -0.00003 -0.00003 0.00004 0.00004 -0.00012 -0.00005 -0.00007 0.00000 0.00006 -0.00002 0.00006 -0.00002 0.00012 0.00016 0.00014 0.00017 0.00021 0.00019 -0.00003 -0.00006 -0.00009 -0.00008 -0.00011 -0.00014 -0.00002 -0.00001 -0.00002 0.00001 0.00003 0.00002 0.00015 0.00016 0.00020 -0.00000 -0.00001 0.00000 -0.00001 0.00002 0.00000 0.00000 -0.00000 0.00000 0.00001 0.00001 -0.00000 0.00037 0.00001 0.00001 -0.00007 0.00001 -0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00002 -0.00001 0.00000 -0.00001 0.00000 -0.00000 -0.00001 0.00002 -0.00001 0.00000 0.00000 -0.00000 -0.00000 0.00002 -0.00002 0.00001 -0.00000 -0.00001 -0.00000 0.00002 -0.00002 -0.00000 -0.00001 0.00002 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00012 -0.00001 -0.00002 -0.00001 -0.00001 0.00002 0.00004 -0.00003 0.00004 -0.00000 -0.00000 0.00000 -0.00000 0.00001 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 0.00001 -0.00001 0.00000 0.00008 0.00001 -0.00005 0.00001 0.00003 -0.00001 -0.00002 0.00000 -0.00002 0.00007 -0.00004 0.00003 -0.00007 0.00005 -0.00005 -0.00001 -0.00000 0.00000 0.00002 -0.00000 -0.00001 -0.00002 0.00001 -0.00001 0.00001 -0.00002 -0.00000 0.00000 0.00000 0.00001 -0.00002 0.00002 0.00001 0.00004 0.00001 0.00002 -0.00002 -0.00001 -0.00000 -0.00003 -0.00001 -0.00004 -0.00003 -0.00001 -0.00000 -0.00001 0.00002 0.00002 0.00008 0.00005 0.00008 0.00006 0.00002 0.00005 0.00066 0.00013 0.00005 0.00017 0.00009 0.00012 0.00004 0.00003 0.00004 0.00010 0.00011 -0.00002 0.00004 -0.00009 -0.00002 -0.00002 -0.00001 0.00001 0.00002 -0.00007 -0.00008 -0.00005 -0.00006 0.00004 -0.00003 0.00005 -0.00002 0.00010 0.00010 0.00009 -0.00003 -0.00003 -0.00004 -0.00048 -0.00054 -0.00061 -0.00034 -0.00041 -0.00048 -0.00001 -0.00001 -0.00001 -0.00016 -0.00016 -0.00016 0.00015 0.00020 0.00026 2.63343 2.63812 2.06534 2.63761 2.06478 2.63352 2.06541 2.65948 2.06860 2.65289 3.03295 2.06636 4.49749 3.04046 2.30432 4.36001 2.53048 2.53464 2.56760 2.04971 2.60250 2.05009 2.60937 1.92218 1.91877 2.82249 2.82148 2.82291 2.08313 2.09768 2.08560 2.08169 2.08687 2.09706 2.08440 2.08375 2.09754 2.09595 2.09420 2.09304 2.08443 2.09976 2.09897 2.09411 2.09488 2.09416 2.12592 2.07538 2.08173 2.04147 2.13847 2.10222 2.12448 2.08279 2.07589 2.68463 1.93274 1.97997 1.98380 1.87569 1.84831 1.83435 2.26022 2.18860 1.83164 2.28455 1.85471 2.14377 2.28658 1.85047 2.14606 1.94486 2.11168 2.22121 1.94305 2.11851 2.22090 2.08260 2.08107 2.06981 1.94932 1.95170 1.95284 1.85386 1.90014 1.85055 1.94805 1.94568 1.95297 1.89648 1.86320 1.85279 1.97533 1.94795 1.95562 1.95155 1.89046 1.85658 1.85628 0.00366 3.13939 -3.13575 -0.00002 -0.00384 -3.13994 3.13557 -0.00053 -0.00088 3.13070 -3.13661 -0.00503 -0.00185 3.12076 -3.13343 -0.01082 0.00171 -3.09131 -3.12083 0.06934 3.11072 -0.04936 0.00113 3.13726 3.09522 -0.05184 0.95727 3.06799 -1.12075 -2.13410 -0.02339 2.07107 -2.18517 -2.78003 0.45315 1.33175 -1.71825 -0.62196 2.61122 -3.07334 0.17234 -0.00898 -3.04649 3.07217 -0.10763 0.00369 3.10707 -0.01379 3.11464 -3.13645 -0.00802 0.01092 3.04036 -3.11365 -0.08421 0.00286 -3.09775 3.13261 0.03201 -0.61704 1.45787 -2.75222 2.86251 -1.34576 0.72733 0.54195 2.66635 -1.54488 -2.93543 -0.81103 1.26093 -2.76339 -0.63975 1.44245 0.71369 2.83732 -1.36366 2.61823 0.46564 -1.52585 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000023 0.000003 0.001520 0.000293 0.000450 0.000300 0.001800 0.001200 YES YES YES YES -1.024183e-08 Optimization completed. -- Stationary point found. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 1 1 1 2 2 3 3 4 4 5 5 6 9 11 11 11 12 12 13 13 13 14 14 17 18 22 22 22 23 23 23 27 27 27 31 31 31 2 6 7 3 36 4 8 5 9 6 11 10 28 12 20 21 17 18 14 15 17 16 18 35 19 23 27 31 24 25 26 28 29 30 32 33 34 1.3936 1.396 1.0929 1.3958 1.0926 1.3936 1.093 1.4073 1.0947 1.4038 1.605 1.0935 2.3798 1.6089 1.2194 2.3073 1.3391 1.3413 1.3587 1.0847 1.3772 1.0849 1.3808 1.0172 1.0154 1.4936 1.4931 1.4938 1.1023 1.11 1.1036 1.1016 1.1043 1.1097 1.103 1.1027 1.11 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 5 5 5 12 12 20 11 11 17 14 14 15 13 13 16 12 12 13 12 12 14 23 23 27 22 22 22 24 24 25 22 22 22 28 28 29 9 22 22 22 32 32 33 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 9 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 17 17 17 18 18 18 22 22 22 23 23 23 23 23 23 27 27 27 27 27 27 28 31 31 31 31 31 31 6 7 7 3 36 36 4 8 8 5 9 9 6 11 11 5 10 10 28 12 20 21 20 21 21 17 18 18 15 17 17 16 18 18 13 35 35 14 19 19 27 31 31 24 25 26 25 26 26 28 29 30 29 30 30 27 32 33 34 33 34 34 120.0892 119.9875 119.9232 119.4288 120.3075 120.2628 119.9834 120.0266 119.9874 121.8063 118.9112 119.2736 116.9677 122.5249 120.4483 121.724 119.3354 118.9399 153.8109 110.7386 113.4451 113.664 107.4699 105.8992 105.0983 129.5027 125.3957 104.945 130.8954 106.267 122.8288 131.011 106.0241 122.9606 111.4323 120.9901 127.2662 111.3281 121.3819 127.2481 119.3195 119.2362 118.5939 111.6871 111.8224 111.8897 106.2193 108.8697 106.0295 111.6112 111.481 111.8953 108.6642 106.7507 106.16 113.1784 111.6096 112.0485 111.8141 108.3154 106.3744 106.3579 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 6 6 7 7 2 2 7 7 1 1 36 36 2 2 8 8 3 3 9 9 3 5 4 4 11 11 4 4 4 6 6 6 4 5 5 20 20 21 21 11 11 18 18 11 11 17 17 15 15 17 17 14 14 15 15 13 13 16 16 27 27 27 31 31 31 23 23 23 31 31 31 23 23 23 27 27 27 22 29 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 9 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 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 27 27 2 2 2 2 6 6 6 6 3 3 3 3 4 4 4 4 5 5 5 5 9 9 6 6 6 6 11 11 11 11 11 11 28 12 12 12 12 12 12 17 17 17 17 18 18 18 18 14 14 14 14 17 17 17 17 18 18 18 18 23 23 23 23 23 23 27 27 27 27 27 27 31 31 31 31 31 31 28 28 3 36 3 36 5 10 5 10 4 8 4 8 5 9 5 9 6 11 6 11 28 28 1 10 1 10 12 20 21 12 20 21 27 17 18 17 18 17 18 13 35 13 35 14 19 14 19 16 18 16 18 12 35 12 35 12 19 12 19 24 25 26 24 25 26 28 29 30 28 29 30 32 33 34 32 33 34 9 9 0.2089 179.8743 -179.6658 -0.0004 -0.2196 -179.9056 179.6551 -0.0308 -0.0494 179.3746 -179.7149 -0.2909 -0.1068 178.8049 -179.531 -0.6193 0.0982 -177.1173 -178.8096 3.9748 178.2328 -2.8275 0.0649 179.7521 177.3416 -2.9712 54.843 175.78 -64.2183 -122.2783 -1.3412 118.6604 -125.2389 -159.2913 25.9608 76.2943 -98.4535 -35.6422 149.6099 -176.0909 9.8722 -0.5204 -174.5573 176.024 -6.1693 0.2163 178.023 -0.7888 178.4564 -179.706 -0.4607 0.6297 174.2045 -178.3962 -4.8214 0.1613 -177.4864 179.4825 1.8348 -35.3595 83.5245 -157.6956 164.0115 -77.1045 41.6754 31.0787 152.8015 -88.4799 -168.1679 -46.4451 72.2734 -158.33 -36.6545 82.6468 40.9004 162.5758 -78.1228 150.0047 26.6679 -DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-DE/DX = 0.0|-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 -0.0316222741 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 321.86796999999996 AuxInfo=1/0/N:2,1,3,6,4,13,14,5,12,11,21,17,18;23,27,31,22/E:(2,3)(4,5)(6,7)(12,13);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4;4.3/rA:36nC3C3C3C3C3C3HHHHB4C3C3C3HHNNHHIC3CHHHCHHHCHHHHH/rB:s1;s2;s3;s4;s1s5;s1;s3;s4;s6;s5;s11;;s13;s13;s14;s12s13;s12s14;s18;s11;s11;;s22;s23;s23;s23;s22;s27;s27;s27;s22;s31;s31;s31;s17;s2;/rC:-3.5128,-.6312,.9942;-3.6813,.2272,-.0911;-2.5641,.6761,-.7991;-1.2921,.2697,-.4101;-1.0882,-.5878,.6866;-2.2307,-1.0262,1.3727;-4.3849,-.994,1.5413;-2.6936,1.3337,-1.661;-.4306,.6155,-.9888;-2.1125,-1.7009,2.2243;.3774,-1.0173,1.185;1.294,.2771,1.4562;3.0316,1.645,1.8389;1.896,2.3601,2.0503;4.075,1.9359,1.8955;1.7495,3.3956,2.3389;2.6286,.3765,1.4859;.8488,1.4936,1.8053;-.1423,1.7094,1.8416;.3615,-1.677,2.2099;1.5099,-2.3005,-.3514;3.6788,1.8586,-1.2248;4.5927,.7004,-1.458;4.0789,-.2625,-1.3031;4.9777,.6822,-2.4989;5.4815,.7394,-.8051;2.2406,1.7441,-1.6096;1.8781,.7078,-1.5178;1.6032,2.399,-.9893;2.0676,2.0516,-2.6616;4.2621,3.2212,-1.0381;3.5626,3.895,-.5157;5.2063,3.1928,-.4693;4.4967,3.7052,-2.0089;3.2186,-.394,1.1805;-4.6625,.5409,-.3807; 0.000000 1.393989 0.000000 2.413522 1.396777 0.000000 2.777541 2.410742 1.390824 0.000000 2.444346 2.827208 2.446005 1.406949 0.000000 1.393915 2.412116 2.779608 2.395582 1.402968 0.000000 1.091584 2.156669 3.403273 3.869092 3.429788 2.160993 0.000000 3.403207 2.159698 1.091792 2.158966 3.432285 3.871333 4.305024 0.000000 3.871198 3.394640 2.142731 1.093955 2.165028 3.393030 4.962681 2.467562 0.000000 2.148981 3.397050 3.872367 3.390590 2.157007 1.092825 2.475862 4.964068 4.303315 0.000000 3.913950 4.432911 3.931539 2.643506 1.606573 2.614899 4.775670 4.801924 2.836300 2.783361 0.000000 4.913635 5.210631 4.486705 3.189232 2.648696 3.758946 5.820072 5.170552 3.011102 4.013386 1.609121 0.000000 6.980227 7.127303 6.261753 5.064022 4.825617 5.919899 7.877659 6.717495 4.587240 6.148655 3.815814 2.244293 0.000000 6.270385 6.343574 5.553992 4.537327 4.410832 5.381094 7.138518 5.990971 4.206250 5.708794 3.802859 2.248152 1.358550 0.000000 8.060777 8.186951 7.274949 6.074364 5.872768 6.986379 8.959861 7.669774 5.510253 7.184685 4.785218 3.267756 1.084629 2.225282 0.000000 6.761243 6.740690 5.987412 5.155534 5.162384 6.027284 7.585193 6.323906 4.853343 6.395520 4.763167 3.272852 2.226721 1.084889 2.781211 0.000000 6.242863 6.505678 5.681063 4.356368 3.922177 5.058989 7.146341 6.256582 3.942031 5.228673 2.664766 1.338569 1.377058 2.188617 2.166025 3.258144 0.000000 4.918898 5.071645 4.370181 3.314994 3.055435 4.002497 5.800778 4.958751 3.196020 4.376044 2.628986 1.341630 2.188342 1.381132 3.257628 2.171089 2.125487 0.000000 4.190029 4.296135 3.729064 2.909445 2.739673 3.473455 5.039636 4.349571 3.048064 3.957044 2.852350 2.064682 3.174549 2.149785 4.223683 2.582537 3.095291 1.014923 0.000000 4.193004 5.026409 4.811467 3.658993 2.368226 2.800667 4.841630 5.777696 4.014314 2.474135 1.218936 2.292667 4.278209 4.321838 5.190568 5.260627 3.143389 3.233224 3.443341 0.000000 5.461198 5.779802 5.065410 3.802740 3.280433 4.311483 6.327573 5.708965 3.560227 4.485057 2.299955 3.155634 4.762386 5.257232 5.438326 6.304016 3.434121 4.414019 4.859841 2.875446 0.000000 7.927303 7.623525 6.368132 5.281945 5.688887 7.070549 8.989570 6.408881 4.299817 7.622758 4.997791 3.921244 3.138646 3.762491 3.146349 4.334117 3.263056 4.162197 4.901647 5.941640 4.771328 0.000000 8.572286 8.399435 7.187021 5.992852 6.207350 7.586360 9.615767 7.316552 5.045836 8.017782 5.263501 4.421817 3.768171 4.725990 3.611213 5.455670 3.553704 5.029401 5.858772 6.083475 4.442193 1.493678 0.000000 7.940185 7.869507 6.727835 5.470689 5.546512 6.895983 8.958857 6.967252 4.604908 7.269452 4.523437 3.957285 3.822020 4.784180 3.881276 5.663202 3.207792 4.814505 5.621002 5.306735 3.414492 2.159964 1.102305 0.000000 9.274427 8.999059 7.730967 6.621510 6.968221 8.358834 10.333988 7.744413 5.615595 8.846424 6.133728 5.419979 4.850893 5.745226 4.658085 6.417805 4.635744 6.019341 6.790401 7.003480 5.053112 2.166669 1.109972 1.769264 0.000000 9.274281 9.204812 8.045792 6.801354 6.866421 8.206006 10.288606 8.241234 5.916234 8.532354 5.753101 4.781377 3.716546 4.861633 3.271557 5.555852 3.676823 5.370717 6.290659 6.414349 5.021975 2.162969 1.103579 1.794206 1.768077 0.000000 6.747057 6.298848 4.988203 4.011595 4.668114 6.046634 7.830853 4.951523 2.965535 6.746573 4.348193 3.528007 3.539450 3.727313 3.960741 4.308016 3.406252 3.696095 4.194049 5.461097 4.298344 1.493192 2.577684 2.738543 3.067630 3.487101 0.000000 6.096225 5.759583 4.499992 3.386603 3.916230 5.314537 7.174867 4.616533 2.370292 5.977448 3.540253 3.061208 3.671033 3.932098 4.240901 4.702591 3.113662 3.566438 4.046020 4.677962 3.247496 2.157057 2.715259 2.414805 3.251335 3.673362 1.101666 0.000000 6.268105 5.783507 4.513337 3.640369 4.355841 5.657776 7.333028 4.477544 2.704995 6.398669 4.231029 3.252455 3.256992 3.053945 3.827100 3.477309 3.356868 3.032933 3.396539 5.328293 4.743525 2.157718 3.470156 3.648445 4.076001 4.222488 1.104497 1.792982 0.000000 7.190469 6.556353 5.178151 4.419564 5.304362 6.650176 8.280994 4.917924 3.331932 7.444918 5.203050 4.550084 4.620531 4.725093 4.980986 5.187711 4.507993 4.663675 5.027892 6.367505 4.958727 2.167370 3.106473 3.353464 3.220314 4.101573 1.109607 1.774802 1.769987 0.000000 8.911780 8.541573 7.289108 6.321033 6.790379 8.124647 9.959510 7.234149 5.367821 8.689437 6.164268 4.868110 3.503688 3.984770 3.208308 4.212844 4.138970 4.766591 5.475156 7.053855 6.207660 1.493833 2.576804 3.498523 3.015333 2.774910 2.568041 3.497223 2.783594 2.969739 0.000000 8.533850 8.130597 6.926556 6.059903 6.570478 7.832449 9.554877 6.856544 5.188877 8.427843 6.096621 4.703579 3.299770 3.423091 3.148729 3.418346 4.154333 4.303284 4.905082 6.980200 6.528789 2.159470 3.486403 4.262834 4.032152 3.704571 2.751509 3.741653 2.510329 3.199715 1.102942 0.000000 9.632601 9.376954 8.174411 7.125856 7.433061 8.746601 10.656593 8.202759 6.219884 9.207023 6.616664 5.245438 3.528879 4.242661 2.907277 4.458356 4.289401 5.200890 6.012370 7.373311 6.622196 2.164238 2.750674 3.728977 3.236420 2.491466 3.492034 4.283856 3.726012 3.994956 1.102642 1.788073 0.000000 9.590386 9.091474 7.777792 6.918850 7.542417 8.892777 10.656934 7.579354 5.904729 9.530424 7.033699 5.832346 4.604023 5.005047 4.307334 5.152346 5.175331 5.722508 6.350648 7.991724 6.909244 2.166507 3.056470 4.051648 3.100049 3.348894 3.015921 4.010379 3.334458 3.010177 1.109870 1.771589 1.770993 0.000000 6.738166 7.043597 6.205143 4.828816 4.339446 5.489297 7.635707 6.783354 4.363708 5.587392 2.908813 2.056807 2.150824 3.176624 2.583200 4.226243 1.017360 3.093470 4.019566 3.296872 2.983506 3.327411 3.169745 2.631654 4.217878 3.216753 3.648626 3.208105 3.888271 4.697599 4.368108 4.625020 4.420140 5.348792 0.000000 2.141463 1.070000 2.143978 3.381355 3.897191 3.382867 2.475261 2.478729 4.275973 4.279457 5.502714 6.238861 8.083574 7.227165 9.136166 7.527139 7.527959 6.004950 5.170640 6.072065 6.795077 8.486802 9.318964 8.826516 9.871169 10.154748 7.114073 6.640725 6.563604 7.264900 9.341521 8.883644 10.219234 9.826239 8.088453 0.000000 C13H19BIN2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 321.86796999999996 AuxInfo=1/0/N:2,1,3,6,4,13,14,5,12,11,21,17,18;23,27,31,22/E:(2,3)(4,5)(6,7)(12,13);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4;4.3/rA:36nC3C3C3C3C3C3HHHHB4C3C3C3HHNNHHIC3CHHHCHHHCHHHHH/rB:s1;s2;s3;s4;s1s5;s1;s3;s4;s6;s5;s11;;s13;s13;s14;s12s13;s12s14;s18;s11;s11;;s22;s23;s23;s23;s22;s27;s27;s27;s22;s31;s31;s31;s17;s2;/rC:-4.4804,-1.2568,-.0284;-4.1816,-1.8748,1.1849;-2.8943,-1.7702,1.7168;-1.9191,-1.0576,1.0274;-2.1864,-.4312,-.2038;-3.4903,-.5491,-.708;-5.489,-1.3258,-.4402;-2.6618,-2.2373,2.6759;-.9222,-.9698,1.4693;-3.7381,-.0678,-1.6574;-1.0552,.3437,-1.041;.2228,-.6015,-1.2912;2.2702,-1.3665,-1.8009;1.4526,-2.4441,-1.6739;3.3307,-1.3014,-2.0187;1.6535,-3.5059,-1.7693;1.4864,-.2583,-1.5692;.2054,-1.9413,-1.359;-.636,-2.4749,-1.1658;-1.4444,.7305,-2.1295;-.2702,2.2211,.031;3.351,-.7066,1.0709;3.8065,.7102,.9424;2.9637,1.394,.7498;4.2934,1.0725,1.8718;4.5543,.8309,.1399;2.0334,-.9956,1.711;1.3119,-.181,1.5387;1.5996,-1.939,1.3344;2.1244,-1.115,2.8104;4.3572,-1.8069,.9786;3.886,-2.7677,.7119;5.1429,-1.5881,.2365;4.8775,-1.9712,1.9451;1.7929,.7098,-1.5055;-4.9352,-2.4269,1.7065; 0.3704000 0.2403941 0.1837531 -14.54597 -14.54180 -10.39503 -10.37772 -10.37667 -10.30638 -10.30090 -10.29532 -10.29233 -10.29041 -10.28891 -10.28850 -10.28716 -10.28468 -10.27205 -6.90207 -6.83549 -4.91996 -4.91201 -4.91112 -1.95429 -1.95206 -1.95124 -1.94446 -1.94446 -1.18069 -1.03961 -0.93357 -0.90420 -0.90102 -0.82311 -0.82201 -0.78905 -0.78678 -0.78383 -0.75644 -0.74002 -0.69555 -0.67627 -0.67103 -0.62866 -0.62074 -0.60378 -0.59271 -0.57503 -0.56502 -0.56246 -0.53640 -0.53350 -0.53323 -0.52377 -0.51844 -0.49097 -0.47600 -0.47221 -0.46790 -0.45404 -0.44833 -0.44432 -0.43369 -0.43298 -0.42239 -0.40419 -0.39302 -0.36701 -0.34567 -0.31950 -0.30811 -0.29467 -0.28849 -0.25464 0.04521 0.06187 0.06740 0.07528 0.10060 0.13136 0.13856 0.14289 0.15255 0.15874 0.16446 0.18238 0.19231 0.19498 0.20008 0.20477 0.20949 0.21724 0.22057 0.22928 0.23435 0.23475 0.24529 0.25025 0.25256 0.26237 0.27361 0.28350 0.30080 0.30556 0.31666 0.34031 0.34535 0.36801 0.37644 0.38370 0.39053 0.40063 0.40758 0.41893 0.42387 0.44033 0.44825 0.46381 0.47485 0.47926 0.48567 0.48931 0.49664 0.50156 0.50811 0.51880 0.52492 0.52829 0.54418 0.54909 0.55260 0.55992 0.56276 0.57243 0.57538 0.57957 0.59260 0.59935 0.60260 0.61453 0.62700 0.64389 0.64566 0.65309 0.66197 0.66551 0.68369 0.69045 0.69363 0.70004 0.70376 0.70790 0.71068 0.72678 0.73623 0.73980 0.74619 0.75175 0.75489 0.75713 0.76021 0.76591 0.77174 0.78116 0.78428 0.79061 0.79471 0.80108 0.80595 0.80859 0.82146 0.82735 0.82880 0.83912 0.84352 0.85302 0.86881 0.87302 0.87987 0.88743 0.89483 0.90699 0.92144 0.93891 0.94777 0.95806 0.97183 0.98596 1.00112 1.00704 1.03661 1.05621 1.06691 1.07085 1.08127 1.09689 1.12444 1.14647 1.16292 1.18361 1.21240 1.22389 1.23920 1.25472 1.26678 1.28897 1.29421 1.31297 1.34600 1.35094 1.35656 1.36241 1.36856 1.38367 1.39161 1.39526 1.41090 1.42504 1.47626 1.54050 1.54786 1.56350 1.58891 1.60482 1.61011 1.62538 1.64687 1.64920 1.65185 1.66180 1.66495 1.67175 1.68431 1.68734 1.72974 1.77584 1.78426 1.78890 1.79589 1.81381 1.82222 1.83137 1.84048 1.84684 1.85221 1.85637 1.86436 1.86516 1.87222 1.87519 1.89002 1.90039 1.91550 1.92106 1.93815 1.94001 1.94384 1.94828 1.95195 1.97931 1.98895 1.99482 2.00209 2.01191 2.01640 2.02812 2.03768 2.05444 2.06009 2.06302 2.08759 2.09445 2.10145 2.10555 2.12734 2.14527 2.18003 2.18817 2.20514 2.21050 2.23544 2.24500 2.25920 2.26788 2.27316 2.27851 2.28276 2.32737 2.34244 2.36259 2.39757 2.40852 2.41660 2.44003 2.44176 2.44806 2.45758 2.45969 2.46951 2.47318 2.51268 2.53118 2.54084 2.57274 2.60843 2.62167 2.64117 2.64620 2.65343 2.71916 2.72177 2.72989 2.73632 2.73748 2.75392 2.77785 2.79763 2.80282 2.82216 2.84319 2.84910 2.89568 2.93834 2.96204 2.97486 2.98226 2.98459 2.98926 2.99402 3.00657 3.01249 3.02624 3.03758 3.11035 3.14797 3.16017 3.16643 3.17702 3.23423 3.33262 3.39132 3.59594 3.69093 3.72408 18.93174 19.05442 19.18489 56.76871 -14.54587 -14.54165 -10.39507 -10.37774 -10.37653 -10.30175 -10.29617 -10.29465 -10.29318 -10.29041 -10.28891 -10.28850 -10.28715 -10.28468 -10.27205 -6.90206 -6.83549 -4.91996 -4.91201 -4.91112 -1.95429 -1.95206 -1.95124 -1.94446 -1.94446 -1.18049 -1.03932 -0.93356 -0.90221 -0.88377 -0.82311 -0.82201 -0.78813 -0.78459 -0.78111 -0.75626 -0.73998 -0.69544 -0.67624 -0.67100 -0.62064 -0.60793 -0.60353 -0.59136 -0.57477 -0.56466 -0.56235 -0.52895 -0.52840 -0.52382 -0.51866 -0.51476 -0.49085 -0.46917 -0.46797 -0.46511 -0.45306 -0.44820 -0.44283 -0.42859 -0.42738 -0.42186 -0.40398 -0.39288 -0.36679 -0.34528 -0.31949 -0.30806 -0.29436 -0.28834 0.02877 0.04534 0.06271 0.07119 0.07718 0.10034 0.13120 0.13862 0.14267 0.15261 0.15883 0.16444 0.18295 0.19255 0.19537 0.20026 0.20706 0.21269 0.21880 0.22207 0.23114 0.23460 0.23669 0.24619 0.25122 0.25602 0.26277 0.27584 0.28398 0.30289 0.30617 0.32545 0.34172 0.34972 0.37159 0.37751 0.38488 0.39513 0.40147 0.40894 0.41984 0.42454 0.44137 0.44840 0.46423 0.47649 0.48176 0.48716 0.48998 0.49751 0.50180 0.50874 0.51932 0.52597 0.52974 0.54459 0.55109 0.55486 0.56071 0.56423 0.57318 0.57820 0.58102 0.59321 0.60193 0.60441 0.61554 0.62756 0.64435 0.64747 0.65893 0.66290 0.67879 0.69008 0.69092 0.69787 0.70227 0.70741 0.71127 0.71587 0.72737 0.73914 0.74123 0.74686 0.75341 0.75736 0.75876 0.76123 0.76665 0.77327 0.78204 0.78642 0.79326 0.79657 0.80260 0.80728 0.80939 0.82368 0.82808 0.82999 0.84051 0.84455 0.85342 0.86889 0.87336 0.88111 0.88782 0.89515 0.90732 0.92279 0.93971 0.94821 0.95877 0.97277 0.98749 1.00315 1.00918 1.03820 1.05656 1.06842 1.07482 1.08589 1.09843 1.12570 1.14673 1.16458 1.18400 1.21342 1.22531 1.24460 1.25744 1.27275 1.28927 1.29445 1.31345 1.34602 1.35119 1.35677 1.36245 1.36883 1.38410 1.39168 1.39551 1.41101 1.42514 1.47642 1.54198 1.54838 1.56782 1.59272 1.60938 1.61192 1.62833 1.64766 1.65345 1.65779 1.66444 1.67483 1.68299 1.68744 1.69064 1.73050 1.77592 1.78553 1.78988 1.79920 1.81982 1.82493 1.83690 1.84268 1.85203 1.85523 1.85871 1.86687 1.86959 1.87452 1.87650 1.89129 1.91418 1.91941 1.92156 1.94011 1.94195 1.94594 1.94882 1.95429 1.98007 1.99051 1.99634 2.00343 2.01309 2.01845 2.03243 2.03941 2.05466 2.06063 2.06334 2.08778 2.09453 2.10164 2.10577 2.12760 2.14573 2.18038 2.20091 2.20569 2.21725 2.23993 2.24625 2.26582 2.27532 2.27889 2.28583 2.29457 2.32831 2.34344 2.36270 2.39761 2.40855 2.41676 2.44054 2.44210 2.44828 2.45943 2.46110 2.47070 2.47743 2.51286 2.53244 2.54134 2.57330 2.62059 2.63481 2.64594 2.65164 2.65573 2.72042 2.72287 2.73088 2.73697 2.73925 2.75394 2.77800 2.80028 2.80878 2.82250 2.84330 2.84922 2.89583 2.93857 2.96232 2.97526 2.98514 2.98786 2.99047 2.99615 3.00917 3.01502 3.02926 3.04064 3.11066 3.15152 3.16291 3.16711 3.17723 3.23426 3.33263 3.39141 3.59605 3.69104 3.72408 18.93174 19.05443 19.18489 56.76871 2-A. 4.6460 -6.2278 -2.2008 8.0755 -116.3914 -122.0905 -121.4070 1.4199 -4.6342 3.6147 3.5716 -2.1275 -1.4440 1.4199 -4.6342 3.6147 13.9191 59.1988 8.9082 13.6056 20.7703 -17.5695 12.5968 24.0040 -10.3746 9.8136 -4786.1556 -1962.1191 -1156.8366 21.6434 -36.0128 -62.6436 81.7180 -20.0946 -3.7600 -1168.2131 -976.6958 -502.1981 -8.8744 -38.7869 -1.2868 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 321.86796999999996 AuxInfo=1/0/N:2,1,3,6,4,13,14,5,12,11,21,17,18;23,27,31,22/E:(2,3)(4,5)(6,7)(12,13);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4;4.3/rA:36nC3C3C3C3C3C3HHHHB4C3C3C3HHNNHHIC3CHHHCHHHCHHHHH/rB:s1;s2;s3;s4;s1s5;s1;s3;s4;s6;s5;s11;;s13;s13;s14;s12s13;s12s14;s18;s11;s11;;s22;s23;s23;s23;s22;s27;s27;s27;s22;s31;s31;s31;s17;s2;/rC:-3.502,-.6118,1.0339;-3.6885,.2492,-.0459;-2.5807,.6862,-.7739;-1.3019,.262,-.4178;-1.0837,-.6043,.6696;-2.216,-1.0275,1.3835;-4.3634,-.964,1.6069;-2.7166,1.3534,-1.6288;-.4474,.5998,-1.0129;-2.0839,-1.7045,2.2321;.3857,-1.05,1.1366;1.3056,.2373,1.4286;3.0374,1.6048,1.8389;1.8983,2.3148,2.0496;4.0795,1.898,1.9059;1.7476,3.347,2.3478;2.6402,.339,1.4693;.8553,1.4487,1.7876;-.138,1.6578,1.8113;.3871,-1.7371,2.1439;1.5212,-2.2936,-.4407;3.6727,1.8853,-1.2223;4.5861,.7296,-1.4693;4.0708,-.2345,-1.3272;4.9725,.7242,-2.5099;5.474,.7596,-.8145;2.2352,1.7772,-1.6111;1.8706,.7406,-1.5329;1.5969,2.4245,-.9842;2.0649,2.0978,-2.6597;4.256,3.2442,-1.0114;3.5564,3.908,-.4762;5.2003,3.2057,-.4434;4.49,3.7464,-1.9732;3.2335,-.4265,1.1585;-4.6936,.5752,-.324; 0.000000 1.393552 0.000000 2.408638 1.395765 0.000000 2.776934 2.415458 1.393597 0.000000 2.445556 2.832898 2.447462 1.407336 0.000000 1.396036 2.416939 2.779264 2.396511 1.403843 0.000000 1.092927 2.158460 3.401361 3.869832 3.429941 2.160007 0.000000 3.401290 2.160900 1.092967 2.158534 3.432483 3.872183 4.307201 0.000000 3.871347 3.400359 2.148348 1.094653 2.164591 3.393900 4.964229 2.469136 0.000000 2.154148 3.402996 3.872690 3.391235 2.156864 1.093472 2.476953 4.965614 4.303179 0.000000 3.913665 4.436815 3.932405 2.642988 1.604965 2.613479 4.773183 4.800867 2.834776 2.779889 0.000000 4.897940 5.207264 4.489546 3.195132 2.644505 3.742108 5.797703 5.174193 3.027454 3.988138 1.608941 0.000000 6.951599 7.115307 6.263634 5.071949 4.819861 5.893580 7.837426 6.722855 4.613716 6.110180 3.817427 2.244425 0.000000 6.225695 6.314253 5.539445 4.532406 4.395223 5.342437 7.082071 5.979329 4.221646 5.660916 3.800455 2.247864 1.358716 0.000000 8.033593 8.177417 7.280664 6.085657 5.869340 6.961659 8.919887 7.679743 5.540559 7.146521 4.788204 3.268067 1.084658 2.225364 0.000000 6.704936 6.699038 5.963099 5.144353 5.142505 5.981275 7.515212 6.302148 4.864059 6.341228 4.759738 3.272639 2.226556 1.084863 2.780733 0.000000 6.230570 6.508170 5.692987 4.371143 3.923896 5.045505 7.125169 6.270803 3.970207 5.203400 2.668854 1.339068 1.377184 2.188845 2.166278 3.258254 0.000000 4.878460 5.044443 4.352974 3.305300 3.037170 3.965771 5.752304 4.943632 3.203139 4.333479 2.624437 1.341278 2.188273 1.380815 3.257530 2.171078 2.125679 0.000000 4.131801 4.247282 3.686992 2.876037 2.704652 3.422259 4.976956 4.310044 3.031683 3.907514 2.839344 2.061158 3.175960 2.152865 4.225419 2.587772 3.094298 1.015366 0.000000 4.198045 5.035007 4.816009 3.662189 2.370688 2.803165 4.842942 5.780850 4.015332 2.472861 1.219393 2.292067 4.276158 4.325556 5.186965 5.266887 3.137166 3.239639 3.451348 0.000000 5.498661 5.810567 5.080937 3.808095 3.297265 4.347094 6.370998 5.715917 3.546065 4.526354 2.307255 3.153732 4.763660 5.251740 5.442479 6.296206 3.439546 4.405991 4.841266 2.876808 0.000000 7.924699 7.631984 6.383043 5.294146 5.692127 7.067554 8.983390 6.424268 4.321045 7.612959 4.998375 3.917377 3.138890 3.746751 3.154526 4.311336 3.271276 4.145745 4.876011 5.936966 4.764678 0.000000 8.572126 8.409811 7.200536 5.999324 6.204873 7.582443 9.613769 7.331014 5.055799 8.007102 5.253585 4.404711 3.756091 4.703168 3.607446 5.429311 3.545996 5.004266 5.825861 6.063913 4.426140 1.493608 0.000000 7.941270 7.879219 6.737659 5.471656 5.540116 6.892039 8.959758 6.977209 4.605334 7.260170 4.507200 3.932347 3.804606 4.756235 3.873075 5.632903 3.193095 4.782700 5.580779 5.279780 3.394987 2.159376 1.102347 0.000000 9.282266 9.017226 7.750260 6.630134 6.967944 8.360723 10.342060 7.765024 5.624289 8.841859 6.122341 5.403247 4.840629 5.724516 4.655563 6.393424 4.628366 5.995371 6.757362 6.981544 5.029915 2.166956 1.110043 1.769444 0.000000 9.266364 9.208830 8.055125 6.805685 6.860512 8.195175 10.276646 8.252390 5.926899 8.513299 5.742133 4.762346 3.700254 4.838158 3.262090 5.529959 3.663760 5.345843 6.260699 6.392388 5.008613 2.162878 1.103650 1.794479 1.768281 0.000000 6.754098 6.314616 5.008362 4.028679 4.678470 6.053645 7.836516 4.969935 2.990058 6.748811 4.354640 3.532013 3.546175 3.715276 3.973079 4.286566 3.423597 3.682774 4.166419 5.464940 4.295403 1.493065 2.577621 2.738037 3.067532 3.487088 0.000000 6.105847 5.775436 4.515826 3.396582 3.922694 5.322727 7.185159 4.628933 2.379771 5.982592 3.540753 3.056633 3.671099 3.913194 4.247853 4.676291 3.125161 3.543649 4.007392 4.675323 3.243649 2.157377 2.716260 2.415399 3.252246 3.674388 1.101587 0.000000 6.268221 5.792066 4.529722 3.660624 4.369774 5.662235 7.329507 4.491038 2.740417 6.398586 4.247018 3.269663 3.273625 3.050716 3.846203 3.460588 3.384905 3.030684 3.378267 5.344925 4.749938 2.157849 3.470339 3.648065 4.076015 4.222867 1.104312 1.792095 0.000000 7.209351 6.584145 5.208696 4.442016 5.319759 6.666444 8.300726 4.947706 3.356789 7.456543 5.209634 4.555519 4.628832 4.717275 4.994354 5.170700 4.524734 4.654348 5.003651 6.371568 4.950186 2.167133 3.105728 3.352475 3.219302 4.100920 1.109722 1.774716 1.770068 0.000000 8.901598 8.545038 7.303454 6.335285 6.793364 8.116030 9.942818 7.250804 5.395866 8.672071 6.167107 4.868276 3.506656 3.974000 3.217769 4.193678 4.147873 4.756383 5.458197 7.052519 6.202559 1.493817 2.577172 3.497916 3.018145 2.774030 2.568196 3.497185 2.782713 2.971896 0.000000 8.516424 8.127758 6.937751 6.074473 6.573031 7.819089 9.528877 6.870606 5.221393 8.405250 6.102148 4.708349 3.306596 3.415759 3.160411 3.400197 4.166798 4.297554 4.893329 6.984044 6.527097 2.159112 3.485538 4.260221 4.034627 3.701910 2.752120 3.740469 2.509644 3.204551 1.103016 0.000000 9.616952 9.376048 8.185445 7.137541 7.432656 8.732653 10.632776 8.216729 6.245989 9.183065 6.617233 5.242575 3.528411 4.232295 2.912955 4.442050 4.293071 5.190724 5.998121 7.368350 6.616486 2.164266 2.749731 3.727216 3.237318 2.489160 3.492347 4.283823 3.726586 3.996333 1.102670 1.788000 0.000000 9.586897 9.101281 7.797327 6.935862 7.548503 8.889788 10.648422 7.601377 5.933116 9.519116 7.037146 5.833244 4.607429 4.994991 4.316543 5.133388 5.184872 5.712654 6.332746 7.990839 6.902425 2.166981 3.060085 4.054686 3.107146 3.351311 3.015516 4.011253 3.331010 3.011693 1.109970 1.771717 1.771249 0.000000 6.739187 7.058417 6.227130 4.850607 4.348454 5.487131 7.629143 6.807453 4.395153 5.573259 2.915325 2.056787 2.151219 3.176772 2.584151 4.226280 1.017174 3.093206 4.017181 3.284921 2.995837 3.347401 3.173508 2.629938 4.219612 3.212407 3.677418 3.234699 3.924058 4.724069 4.384992 4.643790 4.430283 5.366517 0.000000 2.161612 1.092622 2.163128 3.407446 3.925515 3.409227 2.491193 2.493339 4.301762 4.305834 5.529359 6.259105 8.093585 7.218914 9.148207 7.504004 7.553552 6.000981 5.146343 6.103340 6.845983 8.515726 9.351339 8.858697 9.911345 10.181092 7.149082 6.676602 6.589877 7.311046 9.364400 8.899054 10.238352 9.854733 8.126504 0.000000 C13H19BIN2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 321.86796999999996 AuxInfo=1/0/N:2,1,3,6,4,13,14,5,12,11,21,17,18;23,27,31,22/E:(2,3)(4,5)(6,7)(12,13);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4;4.3/rA:36nC3C3C3C3C3C3HHHHB4C3C3C3HHNNHHIC3CHHHCHHHCHHHHH/rB:s1;s2;s3;s4;s1s5;s1;s3;s4;s6;s5;s11;;s13;s13;s14;s12s13;s12s14;s18;s11;s11;;s22;s23;s23;s23;s22;s27;s27;s27;s22;s31;s31;s31;s17;s2;/rC:-4.4847,-1.2579,-.0511;-4.2044,-1.8565,1.1757;-2.9256,-1.7351,1.7217;-1.9422,-1.0208,1.04;-2.1962,-.4089,-.2016;-3.4907,-.5476,-.7267;-5.4845,-1.3425,-.4845;-2.6979,-2.192,2.6881;-.951,-.92,1.4936;-3.7247,-.0814,-1.6878;-1.0592,.36,-1.0334;.2093,-.5975,-1.284;2.241,-1.3975,-1.8033;1.4112,-2.462,-1.6471;3.2998,-1.3502,-2.0339;1.5982,-3.5278,-1.7251;1.4741,-.275,-1.583;.1745,-1.9376,-1.3273;-.6729,-2.4519,-1.1077;-1.4391,.7568,-2.1221;-.2366,2.2323,.035;3.3444,-.7387,1.0605;3.812,.6717,.9094;2.9735,1.3601,.7136;4.309,1.0426,1.8301;4.5548,.7745,.0996;2.0295,-1.007,1.715;1.3133,-.1892,1.5369;1.5841,-1.9514,1.3556;2.1286,-1.1113,2.8154;4.3382,-1.8504,.9704;3.8543,-2.8081,.7148;5.1205,-1.6465,.2206;4.8639,-2.0129,1.9344;1.793,.6899,-1.5389;-4.9802,-2.4116,1.7084; 0.3691087 0.2408514 0.1833810 Precomputing XC quadrature grid using IXCGrd= 4 IRadAn= 5 IRanWt= -1 IRanGd= 0 AccXCQ= 0.00D+00. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 362 362 362 362 362 MxSgAt= 36 MxSgA2= 36. 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. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 362 362 362 362 362 MxSgAt= 36 MxSgA2= 36. 1 0.7548 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 C C C C C C H H H H B C C C H H N N H H I C C H H H C H H H C H H H H H 13 13 13 13 13 13 1 1 1 1 11 13 13 13 1 1 14 14 1 1 127 13 13 1 1 1 13 1 1 1 13 1 1 1 1 1 0.00000 0.00001 -0.00000 0.00008 -0.00006 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00005 -0.00083 0.00206 0.00220 0.00071 -0.00018 0.00522 0.00146 -0.00009 -0.00007 0.00000 0.21579 -0.03923 0.00491 0.02562 0.00697 -0.03939 0.00349 0.00843 0.02414 -0.03967 0.00618 0.00497 0.02372 -0.00001 0.00000 0.00062 0.00691 -0.00056 0.09050 -0.06675 0.00744 -0.00034 0.00450 -0.01588 0.00270 0.06917 -0.93803 2.31183 2.47424 3.18229 -0.80704 1.68641 0.47014 -0.38906 -0.29907 0.00048 242.58476 -44.10529 21.93313 114.51848 31.13785 -44.27808 15.59550 37.68902 107.90499 -44.59709 27.61146 22.20766 106.01575 -0.04873 0.00054 0.00022 0.00246 -0.00020 0.03229 -0.02382 0.00265 -0.00012 0.00161 -0.00566 0.00096 0.02468 -0.33471 0.82492 0.88287 1.13552 -0.28797 0.60175 0.16776 -0.13883 -0.10672 0.00017 86.56027 -15.73786 7.82628 40.86304 11.11076 -15.79952 5.56486 13.44838 38.50318 -15.91335 9.85246 7.92425 37.82906 -0.01739 0.00019 0.00021 0.00230 -0.00019 0.03019 -0.02227 0.00248 -0.00011 0.00150 -0.00530 0.00090 0.02307 -0.31289 0.77114 0.82532 1.06150 -0.26920 0.56253 0.15682 -0.12978 -0.09976 0.00016 80.91757 -14.71194 7.31610 38.19925 10.38647 -14.76958 5.20210 12.57170 35.99323 -14.87599 9.21019 7.40768 35.36305 -0.01626 0.00018 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 0.000576 0.000645 0.001068 0.001996 0.001420 0.000759 0.000390 0.000923 0.003397 0.000537 0.001550 0.003844 0.000022 -0.006628 -0.005051 -0.001812 -0.003305 -0.004201 0.001733 0.000692 0.001045 -0.357370 -0.006564 -0.009157 -0.004793 -0.000021 0.006230 0.013425 0.008124 0.001870 0.004316 -0.006868 0.009976 0.002932 -0.001908 0.000450 -0.000299 -0.000318 -0.000541 -0.001042 -0.000775 -0.000412 -0.000204 -0.000485 -0.001796 -0.000323 -0.000917 -0.000794 -0.001555 -0.007799 -0.004429 0.001478 -0.010865 -0.008130 -0.001074 -0.000528 0.000090 -0.517712 0.012587 0.016415 0.008445 0.005283 -0.009668 -0.008206 -0.001392 -0.008135 0.003740 0.014119 -0.004344 0.000584 -0.000308 -0.000217 -0.000277 -0.000327 -0.000528 -0.000954 -0.000645 -0.000347 -0.000186 -0.000437 -0.001601 -0.000215 -0.000634 -0.003050 0.001532 0.014427 0.009480 0.000334 0.014170 0.012331 -0.000658 -0.000164 -0.001135 0.875082 -0.006022 -0.007258 -0.003651 -0.005262 0.003437 -0.005219 -0.006733 0.006264 -0.008056 -0.007251 -0.005632 -0.003516 0.002216 -0.000233 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 0.000050 0.000137 0.000259 0.000116 -0.000191 -0.000054 0.000035 0.000361 0.000168 -0.000099 -0.000724 -0.000162 0.001726 0.002065 0.000022 0.001002 -0.003206 0.001513 0.001713 -0.000463 -0.001916 0.044347 0.009936 -0.003252 0.008269 0.011295 0.004231 -0.005021 0.011504 0.002874 -0.014354 -0.008048 -0.009628 -0.010420 -0.002470 0.000138 0.000111 -0.000021 -0.000176 0.000058 0.000476 0.000281 0.000095 -0.000383 -0.000476 0.000320 0.001171 0.002447 0.003896 0.008049 -0.000732 0.001554 0.015248 0.006180 0.001236 0.000883 0.000719 0.490726 0.002966 0.000472 0.003990 -0.004242 -0.011547 -0.006678 -0.004343 -0.009316 0.002933 -0.000475 -0.005670 0.005501 0.004511 -0.000057 0.000006 0.000002 -0.000028 0.000024 -0.000019 -0.000002 0.000006 -0.000090 0.000003 -0.000031 -0.000266 0.000049 0.003971 0.002722 0.003181 0.002281 -0.005584 0.000965 0.000468 -0.000276 -0.000539 0.127455 0.003365 -0.001743 0.005075 -0.006725 -0.002709 0.002343 -0.003708 -0.003449 -0.002259 0.002062 0.003973 -0.003567 -0.004534 -0.000011 -0.0606 0.9978 0.0282 -0.1249 -0.0356 0.9915 0.9903 0.0566 0.1268 -3.0E-4 -3.0E-4 6.0E-4 -0.041 -0.039 0.08 -0.014 -0.014 0.028 -0.014 -0.013 0.027 1 C 13 -0.1361 0.9195 -0.3687 -0.0319 0.3679 0.9293 0.9902 0.1382 -0.0208 -3.0E-4 -3.0E-4 7.0E-4 -0.045 -0.044 0.089 -0.016 -0.016 0.032 -0.015 -0.015 0.03 2 C 13 -0.1528 0.9881 0.0201 0.1086 -0.0034 0.9941 0.9823 0.154 -0.1068 -6.0E-4 -5.0E-4 0.0011 -0.078 -0.073 0.151 -0.028 -0.026 0.054 -0.026 -0.024 0.05 3 C 13 -0.0328 0.9753 -0.2183 -0.0278 0.2174 0.9757 0.9991 0.0381 0.02 -0.0011 -0.001 0.002 -0.141 -0.127 0.269 -0.05 -0.045 0.096 -0.047 -0.043 0.09 4 C 13 0.1577 0.9165 -0.3676 -0.1647 0.3915 0.9053 0.9736 -0.0822 0.2127 -8.0E-4 -7.0E-4 0.0015 -0.107 -0.099 0.207 -0.038 -0.035 0.074 -0.036 -0.033 0.069 5 C 13 0.1926 0.7135 -0.6737 -0.1372 0.6994 0.7015 0.9716 -0.0427 0.2326 -4.0E-4 -4.0E-4 8.0E-4 -0.057 -0.054 0.111 -0.02 -0.019 0.04 -0.019 -0.018 0.037 6 C 13 -0.0282 0.9823 -0.1849 -0.166 0.1778 0.97 0.9857 0.0581 0.1581 -2.0E-4 -2.0E-4 4.0E-4 -0.11 -0.108 0.217 -0.039 -0.038 0.078 -0.037 -0.036 0.072 7 H 1 -0.2483 0.967 -0.0577 0.225 0.1155 0.9675 0.9422 0.2272 -0.2463 -6.0E-4 -5.0E-4 0.0011 -0.305 -0.287 0.592 -0.109 -0.102 0.211 -0.102 -0.096 0.197 8 H 1 -0.0427 0.9923 -0.116 0.0894 0.1195 0.9888 0.9951 0.0319 -0.0938 -0.0018 -0.0016 0.0034 -0.963 -0.877 1.839 -0.343 -0.313 0.656 -0.321 -0.292 0.614 9 H 1 0.3014 0.7461 -0.5938 -0.1941 0.6577 0.7279 0.9336 -0.1041 0.343 -3.0E-4 -3.0E-4 7.0E-4 -0.18 -0.175 0.355 -0.064 -0.062 0.127 -0.06 -0.058 0.119 10 H 1 -0.4503 -0.5293 0.7191 -0.0335 0.8148 0.5787 0.8923 -0.2365 0.3846 -0.0012 -0.0011 0.0022 -0.201 -0.184 0.385 -0.072 -0.066 0.137 -0.067 -0.061 0.128 11 B 11 -0.3042 -0.0314 0.9521 0.0149 0.9992 0.0378 0.9525 -0.0257 0.3034 -0.0038 -8.0E-4 0.0046 -0.514 -0.107 0.621 -0.184 -0.038 0.222 -0.172 -0.036 0.207 12 C 13 0.2905 0.7028 -0.6493 0.7993 -0.5514 -0.2392 0.5261 0.4495 0.7219 -0.0045 -0.0023 0.0068 -0.605 -0.313 0.918 -0.216 -0.112 0.328 -0.202 -0.104 0.306 13 C 13 0.8313 -0.5118 -0.2169 0.4525 0.8497 -0.2707 0.3228 0.1269 0.9379 -0.01 -0.0076 0.0176 -1.342 -1.015 2.357 -0.479 -0.362 0.841 -0.448 -0.339 0.786 14 C 13 -0.667 0.7208 -0.1884 0.7436 0.6599 -0.108 -0.0465 0.2121 0.9761 -0.0053 -0.0049 0.0102 -2.818 -2.628 5.445 -1.005 -0.938 1.943 -0.94 -0.877 1.816 15 H 1 0.8613 0.0692 -0.5034 -0.4101 0.6796 -0.6082 0.3 0.7303 0.6138 -0.0026 -0.0012 0.0038 -1.409 -0.623 2.032 -0.503 -0.222 0.725 -0.47 -0.208 0.678 16 H 1 0.8159 -0.2435 -0.5244 0.302 0.9529 0.0274 0.493 -0.1807 0.851 -0.0121 -0.012 0.0242 -0.469 -0.464 0.933 -0.167 -0.166 0.333 -0.156 -0.155 0.311 17 N 14 -0.4111 0.9081 0.079 0.8543 0.4141 -0.3142 0.3181 0.0617 0.946 -0.0087 -0.0057 0.0145 -0.337 -0.221 0.558 -0.12 -0.079 0.199 -0.112 -0.074 0.186 18 N 14 -0.4576 0.8804 0.1241 -0.2481 -0.2605 0.933 0.8538 0.3962 0.3377 -0.0019 -0.0011 0.003 -1.013 -0.596 1.61 -0.362 -0.213 0.574 -0.338 -0.199 0.537 19 H 1 -0.5717 -0.2577 0.779 0.0787 0.9278 0.3646 0.8167 -0.2698 0.5101 -7.0E-4 -7.0E-4 0.0014 -0.384 -0.361 0.745 -0.137 -0.129 0.266 -0.128 -0.12 0.248 20 H 1 0.6395 0.7324 -0.2337 -0.0251 0.3236 0.9458 0.7684 -0.599 0.2253 -0.0014 -0.0013 0.0027 -0.152 -0.144 0.296 -0.054 -0.051 0.105 -0.051 -0.048 0.099 21 I 127 0.3372 0.9197 -0.2013 0.8822 -0.3833 -0.2736 0.3287 0.0853 0.9406 -0.5293 -0.5288 1.0582 -71.033 -70.962 141.995 -25.346 -25.321 50.667 -23.694 -23.67 47.364 22 C 13 0.8957 -0.332 -0.2958 0.2078 -0.2757 0.9385 0.3931 0.9021 0.178 -0.0112 -0.0064 0.0176 -1.506 -0.853 2.359 -0.538 -0.304 0.842 -0.503 -0.284 0.787 23 C 13 0.9868 0.1158 -0.1131 0.1034 0.0868 0.9908 -0.1246 0.9895 -0.0737 -0.0096 -0.0074 0.017 -5.118 -3.928 9.046 -1.826 -1.401 3.228 -1.707 -1.31 3.017 24 H 1 0.8849 -0.3143 -0.3438 0.1869 -0.4366 0.88 0.4268 0.8429 0.3276 -0.0093 -0.0053 0.0146 -4.952 -2.84 7.791 -1.767 -1.013 2.78 -1.652 -0.947 2.599 25 H 1 -0.578 0.6615 0.4778 0.5774 -0.0822 0.8123 0.5767 0.7454 -0.3345 -0.0094 -0.0076 0.017 -5.038 -4.053 9.091 -1.798 -1.446 3.244 -1.68 -1.352 3.032 26 H 1 -0.2589 0.9656 -0.0264 0.6209 0.1873 0.7612 0.7399 0.1806 -0.648 -0.0107 -0.0066 0.0174 -1.44 -0.892 2.332 -0.514 -0.318 0.832 -0.48 -0.298 0.778 27 C 13 0.1062 0.9355 -0.337 0.3574 0.2803 0.8909 0.9279 -0.215 -0.3046 -0.0096 -0.0072 0.0168 -5.133 -3.821 8.953 -1.831 -1.363 3.195 -1.712 -1.274 2.987 28 H 1 -0.4184 0.7999 0.4302 0.4196 -0.2498 0.8727 0.8055 0.5456 -0.2311 -0.0094 -0.0078 0.0172 -5.017 -4.14 9.157 -1.79 -1.477 3.267 -1.674 -1.381 3.054 29 H 1 -0.1451 0.9805 0.1328 0.7792 0.0305 0.626 -0.6097 -0.1943 0.7685 -0.009 -0.0055 0.0145 -4.817 -2.935 7.751 -1.719 -1.047 2.766 -1.607 -0.979 2.586 30 H 1 0.7022 0.6755 -0.2248 0.0642 0.2543 0.965 0.709 -0.6921 0.1352 -0.0104 -0.0085 0.0189 -1.4 -1.135 2.534 -0.499 -0.405 0.904 -0.467 -0.379 0.845 31 C 13 0.9401 0.3271 -0.0962 0.119 -0.0505 0.9916 -0.3195 0.9437 0.0864 -0.0096 -0.0074 0.017 -5.132 -3.955 9.088 -1.831 -1.411 3.243 -1.712 -1.319 3.031 32 H 1 0.296 0.8547 -0.4264 0.4364 0.2761 0.8563 0.8497 -0.4395 -0.2913 -0.0097 -0.0072 0.0169 -5.154 -3.864 9.018 -1.839 -1.379 3.218 -1.719 -1.289 3.008 33 H 1 0.7007 0.659 -0.2735 -0.0542 0.4313 0.9006 0.7114 -0.6162 0.3379 -0.009 -0.0056 0.0146 -4.81 -2.964 7.774 -1.716 -1.058 2.774 -1.604 -0.989 2.593 34 H 1 0.769 -0.19 -0.6103 0.4539 0.8346 0.3122 0.4501 -0.5171 0.728 -0.0049 -0.0033 0.0082 -2.603 -1.786 4.389 -0.929 -0.637 1.566 -0.868 -0.596 1.464 35 H 1 1.82788987e+00 -2.45019378e+00 -8.65860425e-01 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 6 6 6 6 6 6 1 1 1 1 5 6 6 6 1 1 7 7 1 1 53 6 6 1 1 1 6 1 1 1 6 1 1 1 1 1 0.000332951 0.001911569 -0.002557871 0.013551236 -0.003926878 0.003985471 -0.002791857 -0.001236955 0.001866923 0.001961416 0.000070404 -0.000343001 0.000896047 0.000035441 0.000316595 0.000512687 -0.001130970 0.001350581 -0.000435441 -0.000255789 0.000804036 0.000258487 0.000689121 -0.000441097 0.000736104 -0.000032231 0.000054011 0.000599881 -0.000263367 0.000414653 -0.002064509 0.000902390 -0.000139588 -0.000056472 -0.000492389 -0.000020989 0.000180043 0.000123403 0.000066255 -0.000051285 -0.000193267 -0.000020458 0.000010035 0.000022125 -0.000018946 0.000022132 -0.000011823 -0.000004232 0.000488605 0.000319308 0.000054498 0.000268810 0.000157751 0.000179316 -0.000311773 -0.000486758 -0.000378871 0.000361474 -0.000139247 0.000232275 0.000985264 -0.000508812 -0.000453427 -0.000081688 0.000012752 -0.000147173 0.000004175 0.000017471 0.000031638 -0.000056156 0.000001138 0.000049556 0.000019223 0.000003046 -0.000047963 0.000027439 0.000004666 0.000027770 0.000123779 -0.000044827 0.000096131 -0.000099928 0.000125763 0.000045279 -0.000012701 -0.000132272 -0.000039516 0.000020701 0.000022597 -0.000054608 0.000041038 -0.000039679 0.000008783 -0.000023727 -0.000027509 0.000031951 0.000026506 0.000011159 0.000030526 0.000017311 0.000033858 -0.000055913 -0.000158687 -0.000022887 -0.000020912 -0.015301121 0.004481693 -0.004901684 0.015301121 0.002226733 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 0.7548 0.7737 0.7551 0.7548 0.7552 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 0.7548 open 1 1 1 -938.313204303723 -938.313204939022 -0.000000635300 -938.313204987408 -0.000000048385 -938.313204988972 -0.000000001564 -938.313204989639 -0.000000000667 -938.313204989659 -0.000000000020 -938.313204989658 0.000000000001 -938.313204990 7 0.7548 7.465868558659e+02 -4.873801924078e+03 1.808406522874e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572591310 LenY= 1572459100 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. 0.7548 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 C C C C C C H H H H B C C C H H N N H H I C C H H H C H H H C H H H H H 13 13 13 13 13 13 1 1 1 1 11 13 13 13 1 1 14 14 1 1 127 13 13 1 1 1 13 1 1 1 13 1 1 1 1 1 0.00000 0.00001 -0.00000 0.00008 -0.00005 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00004 -0.00081 0.00201 0.00227 0.00071 -0.00018 0.00506 0.00135 -0.00008 -0.00006 0.00000 0.21534 -0.03936 0.00496 0.02562 0.00692 -0.03950 0.00355 0.00838 0.02419 -0.03978 0.00627 0.00491 0.02373 -0.00002 0.00000 0.00079 0.00627 -0.00045 0.08754 -0.06145 0.00675 -0.00033 0.00398 -0.01264 0.00259 0.06303 -0.90678 2.25861 2.55002 3.15156 -0.82630 1.63531 0.43614 -0.37070 -0.27942 0.00050 242.08844 -44.24353 22.17953 114.51635 30.95190 -44.40026 15.84622 37.44958 108.11356 -44.72439 28.00778 21.95900 106.06572 -0.07680 0.00051 0.00028 0.00224 -0.00016 0.03124 -0.02193 0.00241 -0.00012 0.00142 -0.00451 0.00092 0.02249 -0.32356 0.80593 0.90991 1.12455 -0.29484 0.58352 0.15562 -0.13228 -0.09970 0.00018 86.38318 -15.78719 7.91421 40.86228 11.04441 -15.84312 5.65433 13.36294 38.57761 -15.95878 9.99387 7.83552 37.84689 -0.02740 0.00018 0.00026 0.00209 -0.00015 0.02920 -0.02050 0.00225 -0.00011 0.00133 -0.00422 0.00086 0.02103 -0.30247 0.75339 0.85059 1.05125 -0.27562 0.54548 0.14548 -0.12365 -0.09320 0.00017 80.75201 -14.75805 7.39829 38.19854 10.32444 -14.81033 5.28573 12.49183 36.06280 -14.91845 9.34239 7.32474 35.37972 -0.02562 0.00017 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 0.000577 0.000645 0.001065 0.001981 0.001418 0.000760 0.000391 0.000922 0.003345 0.000538 0.001541 0.003803 0.000056 -0.006505 -0.005028 -0.001791 -0.003383 -0.003723 0.001819 0.000686 0.001017 -0.347375 -0.006266 -0.009212 -0.004582 0.000122 0.006175 0.013227 0.008244 0.001777 0.004095 -0.007038 0.009672 0.002788 -0.001944 0.000448 -0.000300 -0.000319 -0.000542 -0.001036 -0.000772 -0.000413 -0.000204 -0.000491 -0.001774 -0.000324 -0.000898 -0.000857 -0.001496 -0.007999 -0.004346 0.001523 -0.010830 -0.007859 -0.001126 -0.000518 0.000130 -0.515692 0.012408 0.016428 0.008436 0.004884 -0.009813 -0.008036 -0.001702 -0.008283 0.003964 0.014325 -0.004066 0.000753 -0.000297 -0.000217 -0.000277 -0.000326 -0.000523 -0.000945 -0.000646 -0.000347 -0.000186 -0.000432 -0.001571 -0.000214 -0.000643 -0.002947 0.001440 0.014504 0.009374 0.000268 0.014213 0.011582 -0.000694 -0.000168 -0.001147 0.863067 -0.006142 -0.007216 -0.003854 -0.005006 0.003639 -0.005191 -0.006542 0.006506 -0.008059 -0.007286 -0.005607 -0.003541 0.002241 -0.000231 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 0.000047 0.000131 0.000239 0.000078 -0.000212 -0.000060 0.000034 0.000340 0.000074 -0.000102 -0.000755 -0.000248 0.001684 0.002250 0.000040 0.001093 -0.003227 0.001572 0.001669 -0.000480 -0.001937 0.049816 0.010172 -0.003020 0.008486 0.011217 0.003911 -0.005274 0.011302 0.002634 -0.014312 -0.007821 -0.009783 -0.010429 -0.002355 0.000133 0.000112 -0.000021 -0.000178 0.000044 0.000468 0.000284 0.000097 -0.000385 -0.000502 0.000324 0.001159 0.002453 0.003793 0.008600 -0.000617 0.001627 0.015184 0.006257 0.001216 0.000879 0.000714 0.502950 0.002881 0.000509 0.003915 -0.004488 -0.011569 -0.006728 -0.004648 -0.009370 0.002940 -0.000393 -0.005655 0.005494 0.004382 -0.000057 0.000006 0.000001 -0.000026 0.000022 -0.000022 -0.000004 0.000006 -0.000085 0.000013 -0.000032 -0.000276 -0.000082 0.003739 0.003139 0.003197 0.002271 -0.005634 0.001283 0.000447 -0.000286 -0.000545 0.138473 0.002953 -0.002056 0.004814 -0.006906 -0.002523 0.002477 -0.003825 -0.003169 -0.002241 0.001951 0.004096 -0.003593 -0.004487 -0.000010 -0.0484 0.9982 -0.0367 -0.1299 0.0301 0.9911 0.9903 0.0527 0.1282 -3.0E-4 -3.0E-4 6.0E-4 -0.041 -0.039 0.08 -0.014 -0.014 0.028 -0.014 -0.013 0.027 1 C 13 -0.1314 0.9321 -0.3376 -0.0252 0.3373 0.9411 0.991 0.1322 -0.0209 -3.0E-4 -3.0E-4 7.0E-4 -0.045 -0.044 0.089 -0.016 -0.016 0.032 -0.015 -0.015 0.03 2 C 13 -0.1447 0.9895 -0.0068 0.107 0.0225 0.994 0.9837 0.1431 -0.1091 -6.0E-4 -5.0E-4 0.0011 -0.077 -0.073 0.15 -0.028 -0.026 0.054 -0.026 -0.024 0.05 3 C 13 -0.022 0.9763 -0.2152 -0.0204 0.2147 0.9765 0.9995 0.0259 0.0152 -0.001 -9.0E-4 0.002 -0.14 -0.126 0.266 -0.05 -0.045 0.095 -0.047 -0.042 0.089 4 C 13 0.1649 0.9151 -0.3681 -0.158 0.3928 0.9059 0.9736 -0.0912 0.2093 -8.0E-4 -7.0E-4 0.0015 -0.108 -0.099 0.206 -0.038 -0.035 0.074 -0.036 -0.033 0.069 5 C 13 0.1941 0.7283 -0.6572 -0.1392 0.6836 0.7165 0.9711 -0.0476 0.234 -4.0E-4 -4.0E-4 8.0E-4 -0.057 -0.054 0.112 -0.02 -0.019 0.04 -0.019 -0.018 0.037 6 C 13 -0.0238 0.98 -0.1974 -0.1698 0.1906 0.9669 0.9852 0.0565 0.1619 -2.0E-4 -2.0E-4 4.0E-4 -0.11 -0.108 0.218 -0.039 -0.038 0.078 -0.037 -0.036 0.073 7 H 1 -0.2375 0.9692 -0.0648 0.2278 0.1204 0.9662 0.9443 0.2148 -0.2494 -6.0E-4 -5.0E-4 0.0011 -0.303 -0.285 0.588 -0.108 -0.102 0.21 -0.101 -0.095 0.196 8 H 1 -0.0265 0.9918 -0.1247 0.098 0.1267 0.9871 0.9948 0.0139 -0.1005 -0.0018 -0.0016 0.0034 -0.949 -0.864 1.813 -0.338 -0.308 0.647 -0.316 -0.288 0.605 9 H 1 0.3049 0.7467 -0.5911 -0.1951 0.6565 0.7286 0.9322 -0.1068 0.3459 -3.0E-4 -3.0E-4 7.0E-4 -0.181 -0.176 0.357 -0.065 -0.063 0.127 -0.061 -0.059 0.119 10 H 1 -0.4539 -0.5216 0.7225 -0.0201 0.8166 0.5769 0.8908 -0.2474 0.3811 -0.0012 -0.0011 0.0022 -0.201 -0.184 0.385 -0.072 -0.066 0.137 -0.067 -0.061 0.128 11 B 11 -0.309 6.0E-4 0.951 0.0456 0.9989 0.0142 0.95 -0.0478 0.3087 -0.0037 -9.0E-4 0.0046 -0.502 -0.117 0.619 -0.179 -0.042 0.221 -0.168 -0.039 0.206 12 C 13 0.3018 0.6942 -0.6535 0.7899 -0.5659 -0.2363 0.5338 0.4449 0.7191 -0.0043 -0.0023 0.0066 -0.575 -0.307 0.882 -0.205 -0.109 0.315 -0.192 -0.102 0.294 13 C 13 0.8243 -0.5214 -0.2205 0.4541 0.8415 -0.2925 0.3381 0.141 0.9305 -0.0102 -0.0079 0.0181 -1.373 -1.057 2.429 -0.49 -0.377 0.867 -0.458 -0.353 0.81 14 C 13 0.7031 -0.6878 0.1803 0.71 0.6931 -0.1247 -0.0392 0.2157 0.9757 -0.0052 -0.0049 0.0101 -2.788 -2.604 5.392 -0.995 -0.929 1.924 -0.93 -0.869 1.798 15 H 1 0.8574 0.0535 -0.5119 -0.407 0.6792 -0.6107 0.315 0.732 0.6041 -0.0027 -0.0012 0.0039 -1.438 -0.626 2.064 -0.513 -0.223 0.736 -0.48 -0.209 0.688 16 H 1 0.8385 -0.1667 -0.5188 0.2366 0.969 0.0711 0.4909 -0.1824 0.8519 -0.0121 -0.012 0.0242 -0.468 -0.464 0.932 -0.167 -0.166 0.333 -0.156 -0.155 0.311 17 N 14 -0.3899 0.9187 0.063 0.8562 0.3868 -0.3424 0.3389 0.0795 0.9375 -0.0084 -0.0055 0.014 -0.325 -0.213 0.538 -0.116 -0.076 0.192 -0.109 -0.071 0.18 18 N 14 -0.4382 0.8919 0.1122 -0.25 -0.2408 0.9378 0.8634 0.3829 0.3285 -0.0019 -0.0011 0.003 -1.008 -0.604 1.612 -0.36 -0.216 0.575 -0.336 -0.202 0.538 19 H 1 -0.5737 -0.2601 0.7767 0.0852 0.9241 0.3724 0.8147 -0.2798 0.508 -7.0E-4 -7.0E-4 0.0014 -0.385 -0.362 0.747 -0.137 -0.129 0.266 -0.128 -0.121 0.249 20 H 1 0.6466 0.7141 -0.2684 0.0031 0.3493 0.937 0.7628 -0.6067 0.2237 -0.0014 -0.0013 0.0028 -0.153 -0.145 0.297 -0.054 -0.052 0.106 -0.051 -0.048 0.099 21 I 127 0.3451 0.9135 -0.2155 0.8755 -0.396 -0.2769 0.3383 0.0931 0.9364 -0.5295 -0.529 1.0585 -71.058 -70.986 142.044 -25.355 -25.33 50.685 -23.703 -23.678 47.381 22 C 13 0.888 -0.3445 -0.3047 0.2185 -0.2668 0.9386 0.4046 0.9001 0.1617 -0.0112 -0.0063 0.0175 -1.503 -0.847 2.35 -0.536 -0.302 0.838 -0.501 -0.282 0.784 23 C 13 0.9872 0.1051 -0.1204 0.11 0.0994 0.9889 -0.1159 0.9895 -0.0866 -0.0096 -0.0074 0.017 -5.12 -3.93 9.05 -1.827 -1.402 3.229 -1.708 -1.311 3.019 24 H 1 0.8798 -0.328 -0.344 0.1877 -0.4252 0.8854 0.4367 0.8436 0.3125 -0.0093 -0.0053 0.0146 -4.95 -2.847 7.796 -1.766 -1.016 2.782 -1.651 -0.95 2.6 25 H 1 -0.567 0.6731 0.4748 0.5841 -0.078 0.8079 0.5809 0.7354 -0.349 -0.0094 -0.0076 0.017 -5.035 -4.046 9.081 -1.797 -1.444 3.24 -1.679 -1.35 3.029 26 H 1 -0.2406 0.9703 -0.0234 0.631 0.1747 0.7559 0.7375 0.1671 -0.6543 -0.0107 -0.0066 0.0173 -1.439 -0.886 2.325 -0.513 -0.316 0.83 -0.48 -0.295 0.775 27 C 13 0.1106 0.9291 -0.353 0.3669 0.2919 0.8833 0.9237 -0.2272 -0.3086 -0.0096 -0.0072 0.0168 -5.125 -3.824 8.949 -1.829 -1.364 3.193 -1.709 -1.276 2.985 28 H 1 -0.4076 0.8096 0.4225 0.4245 -0.2416 0.8726 0.8085 0.535 -0.2452 -0.0094 -0.0077 0.0171 -5.009 -4.132 9.141 -1.787 -1.474 3.262 -1.671 -1.378 3.049 29 H 1 -0.1379 0.9835 0.1175 0.7837 0.0358 0.6201 -0.6057 -0.1776 0.7756 -0.009 -0.0055 0.0145 -4.818 -2.944 7.762 -1.719 -1.05 2.77 -1.607 -0.982 2.589 30 H 1 0.7053 0.6634 -0.2499 0.0847 0.2711 0.9588 0.7038 -0.6974 0.135 -0.0104 -0.0084 0.0188 -1.397 -1.132 2.528 -0.498 -0.404 0.902 -0.466 -0.377 0.843 31 C 13 0.9427 0.3165 -0.1059 0.126 -0.0436 0.9911 -0.3091 0.9476 0.081 -0.0096 -0.0074 0.017 -5.133 -3.96 9.093 -1.832 -1.413 3.245 -1.712 -1.321 3.033 32 H 1 0.3012 0.8476 -0.4369 0.4463 0.2796 0.8501 0.8427 -0.451 -0.2941 -0.0097 -0.0072 0.0169 -5.151 -3.857 9.008 -1.838 -1.376 3.214 -1.718 -1.287 3.005 33 H 1 0.7057 0.65 -0.2818 -0.0444 0.4376 0.8981 0.7071 -0.6213 0.3377 -0.009 -0.0056 0.0146 -4.808 -2.968 7.776 -1.716 -1.059 2.775 -1.604 -0.99 2.594 34 H 1 0.7658 -0.2066 -0.6089 0.4666 0.8302 0.305 0.4425 -0.5177 0.7322 -0.0048 -0.0033 0.0081 -2.557 -1.744 4.302 -0.912 -0.622 1.535 -0.853 -0.582 1.435 35 H 1 PT18872.700S 2024-09-28T10:40:35.000 -14.54567 -14.54186 -10.39486 -10.37777 -10.37658 -10.30616 -10.30078 -10.29509 -10.29220 -10.29203 -10.29152 -10.29002 -10.28837 -10.28603 -10.27296 -6.90193 -6.83611 -4.91982 -4.91187 -4.91100 -1.95413 -1.95191 -1.95111 -1.94432 -1.94432 -1.18057 -1.03950 -0.93405 -0.90409 -0.90092 -0.82343 -0.82235 -0.78876 -0.78655 -0.78361 -0.75636 -0.73972 -0.69557 -0.67691 -0.67064 -0.62848 -0.62037 -0.60372 -0.59259 -0.57493 -0.56495 -0.56180 -0.53621 -0.53331 -0.53307 -0.52438 -0.51863 -0.49091 -0.47587 -0.47210 -0.46774 -0.45383 -0.44907 -0.44433 -0.43361 -0.43283 -0.42252 -0.40484 -0.39283 -0.36781 -0.34501 -0.31984 -0.30844 -0.29502 -0.28881 -0.25431 0.04438 0.06161 0.06706 0.07441 0.10068 0.13176 0.13803 0.14276 0.15263 0.15741 0.16392 0.18196 0.19248 0.19516 0.19929 0.20493 0.20924 0.21637 0.22048 0.22914 0.23313 0.23475 0.24534 0.24913 0.25213 0.26138 0.27336 0.28322 0.30123 0.30514 0.31662 0.34049 0.34551 0.36745 0.37608 0.38340 0.38973 0.39971 0.40672 0.41805 0.42380 0.44037 0.44752 0.46354 0.47467 0.47935 0.48555 0.48898 0.49628 0.50119 0.50765 0.51816 0.52466 0.52799 0.54346 0.54955 0.55071 0.55966 0.56166 0.57046 0.57517 0.57898 0.59129 0.59930 0.60264 0.61456 0.62667 0.64333 0.64559 0.65430 0.66167 0.66548 0.68358 0.69001 0.69380 0.70001 0.70336 0.70801 0.71050 0.72567 0.73584 0.73861 0.74605 0.75007 0.75412 0.75579 0.75930 0.76282 0.77137 0.78253 0.78437 0.79058 0.79465 0.80032 0.80486 0.80767 0.81957 0.82612 0.82845 0.83834 0.84361 0.85156 0.86904 0.87249 0.87889 0.88723 0.89513 0.90685 0.92032 0.93897 0.94753 0.95710 0.97137 0.98355 1.00172 1.00615 1.03704 1.05433 1.06444 1.06943 1.08263 1.09569 1.12293 1.14404 1.16231 1.18475 1.21250 1.22863 1.24013 1.25440 1.26540 1.28803 1.29430 1.31086 1.34475 1.35003 1.35651 1.36078 1.36516 1.38284 1.39027 1.39717 1.40850 1.42375 1.47359 1.54173 1.54856 1.56345 1.58906 1.60464 1.61060 1.62564 1.64801 1.64972 1.65172 1.66182 1.66478 1.67256 1.68538 1.68775 1.73023 1.77473 1.77899 1.78449 1.79496 1.81384 1.82008 1.83079 1.83942 1.84643 1.85213 1.85576 1.86402 1.86410 1.87134 1.87281 1.88836 1.89990 1.91548 1.91788 1.93839 1.93951 1.94274 1.94585 1.95288 1.98018 1.98851 1.99425 2.00150 2.01099 2.01449 2.02823 2.03630 2.04791 2.05837 2.06023 2.08623 2.09339 2.09597 2.10390 2.12543 2.14563 2.17159 2.18841 2.20553 2.21080 2.23399 2.24397 2.25881 2.26740 2.27204 2.27833 2.28222 2.32366 2.34139 2.35960 2.39660 2.40703 2.41545 2.43620 2.44019 2.44516 2.45574 2.45825 2.46792 2.47299 2.51138 2.53128 2.54098 2.57335 2.60900 2.62150 2.63948 2.64155 2.65166 2.71747 2.72015 2.72867 2.73496 2.73752 2.75039 2.77678 2.79763 2.80334 2.82212 2.82485 2.84122 2.89594 2.93854 2.95982 2.97089 2.97962 2.98255 2.98792 2.99425 3.00678 3.01128 3.02574 3.03758 3.10864 3.14745 3.15155 3.16182 3.17866 3.22456 3.32699 3.39037 3.59494 3.69168 3.71479 18.93155 19.05599 19.18011 56.76677 -14.54558 -14.54171 -10.39490 -10.37780 -10.37643 -10.30164 -10.29594 -10.29443 -10.29304 -10.29203 -10.29152 -10.29002 -10.28837 -10.28603 -10.27296 -6.90193 -6.83611 -4.91982 -4.91186 -4.91099 -1.95413 -1.95190 -1.95110 -1.94432 -1.94432 -1.18038 -1.03922 -0.93405 -0.90221 -0.88356 -0.82342 -0.82235 -0.78776 -0.78440 -0.78092 -0.75618 -0.73969 -0.69546 -0.67689 -0.67062 -0.62028 -0.60770 -0.60350 -0.59124 -0.57468 -0.56459 -0.56170 -0.52880 -0.52823 -0.52442 -0.51880 -0.51461 -0.49080 -0.46905 -0.46775 -0.46506 -0.45285 -0.44897 -0.44280 -0.42848 -0.42727 -0.42196 -0.40463 -0.39269 -0.36759 -0.34462 -0.31983 -0.30839 -0.29473 -0.28863 0.02907 0.04447 0.06236 0.07045 0.07679 0.10041 0.13161 0.13808 0.14255 0.15270 0.15751 0.16387 0.18254 0.19275 0.19555 0.19945 0.20688 0.21267 0.21791 0.22198 0.23104 0.23340 0.23669 0.24609 0.25010 0.25547 0.26185 0.27591 0.28375 0.30293 0.30613 0.32537 0.34181 0.34994 0.37099 0.37714 0.38451 0.39443 0.40039 0.40818 0.41918 0.42444 0.44133 0.44765 0.46394 0.47627 0.48179 0.48700 0.48968 0.49717 0.50141 0.50824 0.51870 0.52580 0.52936 0.54378 0.55076 0.55349 0.56066 0.56311 0.57155 0.57802 0.58025 0.59196 0.60169 0.60481 0.61533 0.62731 0.64373 0.64744 0.66030 0.66238 0.67862 0.69021 0.69082 0.69774 0.70204 0.70706 0.71147 0.71573 0.72626 0.73825 0.74044 0.74670 0.75145 0.75553 0.75816 0.76046 0.76379 0.77319 0.78334 0.78635 0.79333 0.79615 0.80174 0.80626 0.80846 0.82198 0.82664 0.82980 0.84027 0.84429 0.85197 0.86914 0.87288 0.88012 0.88760 0.89544 0.90717 0.92161 0.94003 0.94798 0.95770 0.97238 0.98493 1.00420 1.00799 1.03861 1.05463 1.06611 1.07312 1.08762 1.09733 1.12402 1.14427 1.16395 1.18513 1.21348 1.23025 1.24564 1.25733 1.27093 1.28827 1.29448 1.31140 1.34479 1.35025 1.35670 1.36084 1.36538 1.38334 1.39035 1.39738 1.40859 1.42384 1.47375 1.54324 1.54902 1.56792 1.59278 1.60903 1.61255 1.62857 1.64899 1.65348 1.65829 1.66424 1.67508 1.68395 1.68733 1.69170 1.73088 1.77485 1.77919 1.78630 1.79838 1.81873 1.82378 1.83628 1.84118 1.85166 1.85478 1.85832 1.86566 1.86908 1.87296 1.87573 1.88974 1.91338 1.91822 1.91986 1.93956 1.94166 1.94469 1.94707 1.95540 1.98093 1.99010 1.99563 2.00277 2.01207 2.01668 2.03253 2.03796 2.04807 2.05883 2.06079 2.08643 2.09346 2.09615 2.10416 2.12574 2.14604 2.17181 2.20134 2.20609 2.21729 2.23854 2.24534 2.26498 2.27430 2.27879 2.28555 2.29423 2.32474 2.34233 2.35971 2.39664 2.40705 2.41560 2.43639 2.44065 2.44548 2.45673 2.46021 2.46946 2.47724 2.51157 2.53254 2.54146 2.57392 2.62114 2.63459 2.63996 2.65043 2.65490 2.71767 2.72227 2.72953 2.73545 2.73963 2.75041 2.77692 2.80067 2.80883 2.82227 2.82511 2.84148 2.89608 2.93877 2.96001 2.97132 2.98047 2.98688 2.99023 2.99604 3.00952 3.01409 3.02859 3.04061 3.10894 3.14974 3.15298 3.16510 3.17885 3.22458 3.32700 3.39046 3.59504 3.69179 3.71479 18.93155 19.05600 19.18011 56.76677 2-A. 1.78173317e+00 -2.47602408e+00 -8.60696846e-01 ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.5287 -6.2934 -2.1877 8.0562 -116.5033 -122.3618 -121.3774 1.5305 -4.6752 3.4114 3.5776 -2.2810 -1.2966 1.5305 -4.6752 3.4114 15.2194 59.5567 8.9037 13.8528 20.1522 -17.6896 12.9778 24.7706 -9.7899 9.7685 -4791.4643 -1975.6142 -1149.6208 28.4869 -35.0955 -58.4475 80.1842 -21.2060 -4.6197 -1170.1227 -973.3964 -506.1180 -8.5477 -37.7241 0.3763 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|Beta|Orbitals: (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A) (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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 -938.313205 0.754822 0. 0.750019 6.191E-9 4.992E-6 3.7315327,-3.0956191,-0.6359136,0.8939354,1.6452027,3.1284696 C01 [X(C13H19B1I1N2)] 1.0372629 2.7596471 1.1638302 -0.000002280 0.000003082 -0.000005210 0.000020560 -0.000002086 0.000006093 -0.000011842 -0.000003791 -0.000000743 -0.000000524 0.000001542 -0.000006522 -0.000001692 0.000005133 0.000003745 -0.000006785 -0.000001123 0.000003952 0.000001261 -0.000001348 0.000004132 0.000004458 0.000001617 -0.000001580 -0.000000383 -0.000003426 0.000008962 -0.000000574 0.000001928 -0.000000195 0.000009841 -0.000009957 -0.000013958 -0.000013490 0.000006915 0.000011265 -0.000002030 -0.000000756 0.000005801 0.000002765 0.000002249 -0.000001483 -0.000000266 0.000000713 0.000000260 -0.000001434 0.000000851 -0.000000814 0.000006302 -0.000001823 -0.000006161 0.000005882 0.000002220 -0.000006403 -0.000002040 -0.000000955 -0.000000887 -0.000001241 0.000001824 0.000004662 -0.000003863 0.000003964 0.000007337 -0.000001597 -0.000012761 -0.000001183 -0.000003880 0.000001629 0.000001546 0.000003061 0.000002624 -0.000001106 0.000003673 -0.000000340 0.000000588 -0.000000014 -0.000001490 0.000001138 0.000013303 -0.000005211 -0.000005364 0.000000551 0.000002275 -0.000001102 -0.000003870 -0.000000372 0.000003042 -0.000002664 0.000003449 0.000002390 -0.000002189 -0.000000861 -0.000003664 0.000000160 0.000000559 -0.000001907 0.000001083 0.000000015 -0.000000948 0.000001185 0.000000128 -0.000000445 -0.000002189 0.000001597 -0.000000871 -0.000009238 0.000001986 -0.000004365 321.86796999999996 AuxInfo=1/0/N:2,1,3,6,4,13,14,5,12,11,21,17,18;23,27,31,22/E:(2,3)(4,5)(6,7)(12,13);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4;4.3/rA:36nC3C3C3C3C3C3HHHHB4C3C3C3HHNNHHIC3CHHHCHHHCHHHHH/rB:s1;s2;s3;s4;s1s5;s1;s3;s4;s6;s5;s11;;s13;s13;s14;s12s13;s12s14;s18;s11;s11;;s22;s23;s23;s23;s22;s27;s27;s27;s22;s31;s31;s31;s17;s2;/rC:-3.502,-.6118,1.0339;-3.6885,.2492,-.0459;-2.5807,.6862,-.7739;-1.3019,.262,-.4178;-1.0837,-.6043,.6696;-2.216,-1.0275,1.3835;-4.3634,-.964,1.6069;-2.7166,1.3534,-1.6288;-.4474,.5998,-1.0129;-2.0839,-1.7045,2.2321;.3857,-1.05,1.1366;1.3056,.2373,1.4286;3.0374,1.6048,1.8389;1.8983,2.3148,2.0496;4.0795,1.898,1.9059;1.7476,3.347,2.3478;2.6402,.339,1.4693;.8553,1.4487,1.7876;-.138,1.6578,1.8113;.3871,-1.7371,2.1439;1.5212,-2.2936,-.4407;3.6727,1.8853,-1.2223;4.5861,.7296,-1.4693;4.0708,-.2345,-1.3272;4.9725,.7242,-2.5099;5.474,.7596,-.8145;2.2352,1.7772,-1.6111;1.8706,.7406,-1.5329;1.5969,2.4245,-.9842;2.0649,2.0978,-2.6597;4.256,3.2442,-1.0114;3.5564,3.908,-.4762;5.2003,3.2057,-.4434;4.49,3.7464,-1.9732;3.2335,-.4265,1.1585;-4.6936,.5752,-.324; Gaussian 16 GINC-NODO01 NSF coments ES64L-G16RevC.02 102 C1[X(C13H19BIN2)] UwB97XD def2SVP Freq #P Geom=AllCheck Guess=TCheck SCRF=Check GenChk UwB97XD/def2SVP Freq 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 321.86796999999996 AuxInfo=1/0/N:2,1,3,6,4,13,14,5,12,11,21,17,18;23,27,31,22/E:(2,3)(4,5)(6,7)(12,13);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4;4.3/rA:36nC3C3C3C3C3C3HHHHB4C3C3C3HHNNHHIC3CHHHCHHHCHHHHH/rB:s1;s2;s3;s4;s1s5;s1;s3;s4;s6;s5;s11;;s13;s13;s14;s12s13;s12s14;s18;s11;s11;;s22;s23;s23;s23;s22;s27;s27;s27;s22;s31;s31;s31;s17;s2;/rC:-3.502,-.6118,1.0339;-3.6885,.2492,-.0459;-2.5807,.6862,-.7739;-1.3019,.262,-.4178;-1.0837,-.6043,.6696;-2.216,-1.0275,1.3835;-4.3634,-.964,1.6069;-2.7166,1.3534,-1.6288;-.4474,.5998,-1.0129;-2.0839,-1.7045,2.2321;.3857,-1.05,1.1366;1.3056,.2373,1.4286;3.0374,1.6048,1.8389;1.8983,2.3148,2.0496;4.0795,1.898,1.9059;1.7476,3.347,2.3478;2.6402,.339,1.4693;.8553,1.4487,1.7876;-.138,1.6578,1.8113;.3871,-1.7371,2.1439;1.5212,-2.2936,-.4407;3.6727,1.8853,-1.2223;4.5861,.7296,-1.4693;4.0708,-.2345,-1.3272;4.9725,.7242,-2.5099;5.474,.7596,-.8145;2.2352,1.7772,-1.6111;1.8706,.7406,-1.5329;1.5969,2.4245,-.9842;2.0649,2.0978,-2.6597;4.256,3.2442,-1.0114;3.5564,3.908,-.4762;5.2003,3.2057,-.4434;4.49,3.7464,-1.9732;3.2335,-.4265,1.1585;-4.6936,.5752,-.324; coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 12 12 12 12 12 12 1 1 1 1 11 12 12 12 1 1 14 14 1 1 127 12 12 1 1 1 12 1 1 1 12 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 1.0078250 1.0078250 126.9004000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 1 1 1 3 0 0 0 1 1 2 2 1 1 5 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 2.7500000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 4.5500000 1.0000000 1.0000000 5830.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "47_tBuI_p.chk" Berny optimization. R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 1 1 1 2 2 3 3 4 4 5 5 6 9 11 11 11 12 12 13 13 13 14 14 17 18 22 22 22 23 23 23 27 27 27 31 31 31 2 6 7 3 36 4 8 5 9 6 11 10 28 12 20 21 17 18 14 15 17 16 18 35 19 23 27 31 24 25 26 28 29 30 32 33 34 1.3936 1.396 1.0929 1.3958 1.0926 1.3936 1.093 1.4073 1.0947 1.4038 1.605 1.0935 2.3798 1.6089 1.2194 2.3073 1.3391 1.3413 1.3587 1.0847 1.3772 1.0849 1.3808 1.0172 1.0154 1.4936 1.4931 1.4938 1.1023 1.11 1.1036 1.1016 1.1043 1.1097 1.103 1.1027 1.11 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 2 2 6 1 1 3 2 2 4 3 3 5 4 4 6 1 1 5 4 5 5 5 12 12 20 11 11 17 14 14 15 13 13 16 12 12 13 12 12 14 23 23 27 22 22 22 24 24 25 22 22 22 28 28 29 9 22 22 22 32 32 33 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 9 11 11 11 11 11 11 12 12 12 13 13 13 14 14 14 17 17 17 18 18 18 22 22 22 23 23 23 23 23 23 27 27 27 27 27 27 28 31 31 31 31 31 31 6 7 7 3 36 36 4 8 8 5 9 9 6 11 11 5 10 10 28 12 20 21 20 21 21 17 18 18 15 17 17 16 18 18 13 35 35 14 19 19 27 31 31 24 25 26 25 26 26 28 29 30 29 30 30 27 32 33 34 33 34 34 120.0892 119.9875 119.9232 119.4288 120.3075 120.2628 119.9834 120.0266 119.9874 121.8063 118.9112 119.2736 116.9677 122.5249 120.4483 121.724 119.3354 118.9399 153.8109 110.7386 113.4451 113.664 107.4699 105.8992 105.0983 129.5027 125.3957 104.945 130.8954 106.267 122.8288 131.011 106.0241 122.9606 111.4323 120.9901 127.2662 111.3281 121.3819 127.2481 119.3195 119.2362 118.5939 111.6871 111.8224 111.8897 106.2193 108.8697 106.0295 111.6112 111.481 111.8953 108.6642 106.7507 106.16 113.1784 111.6096 112.0485 111.8141 108.3154 106.3744 106.3579 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 6 6 7 7 2 2 7 7 1 1 36 36 2 2 8 8 3 3 9 9 3 5 4 4 11 11 4 4 4 6 6 6 4 5 5 20 20 21 21 11 11 18 18 11 11 17 17 15 15 17 17 14 14 15 15 13 13 16 16 27 27 27 31 31 31 23 23 23 31 31 31 23 23 23 27 27 27 22 29 30 1 1 1 1 1 1 1 1 2 2 2 2 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 9 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 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 22 27 27 27 2 2 2 2 6 6 6 6 3 3 3 3 4 4 4 4 5 5 5 5 9 9 6 6 6 6 11 11 11 11 11 11 28 12 12 12 12 12 12 17 17 17 17 18 18 18 18 14 14 14 14 17 17 17 17 18 18 18 18 23 23 23 23 23 23 27 27 27 27 27 27 31 31 31 31 31 31 28 28 28 3 36 3 36 5 10 5 10 4 8 4 8 5 9 5 9 6 11 6 11 28 28 1 10 1 10 12 20 21 12 20 21 27 17 18 17 18 17 18 13 35 13 35 14 19 14 19 16 18 16 18 12 35 12 35 12 19 12 19 24 25 26 24 25 26 28 29 30 28 29 30 32 33 34 32 33 34 9 9 9 0.2089 179.8743 -179.6658 -0.0004 -0.2196 -179.9056 179.6551 -0.0308 -0.0494 179.3746 -179.7149 -0.2909 -0.1068 178.8049 -179.531 -0.6193 0.0982 -177.1173 -178.8096 3.9748 178.2328 -2.8275 0.0649 179.7521 177.3416 -2.9712 54.843 175.78 -64.2183 -122.2783 -1.3412 118.6604 -125.2389 -159.2913 25.9608 76.2943 -98.4535 -35.6422 149.6099 -176.0909 9.8722 -0.5204 -174.5573 176.024 -6.1693 0.2163 178.023 -0.7888 178.4564 -179.706 -0.4607 0.6297 174.2045 -178.3962 -4.8214 0.1613 -177.4864 179.4825 1.8348 -35.3595 83.5245 -157.6956 164.0115 -77.1045 41.6754 31.0787 152.8015 -88.4799 -168.1679 -46.4451 72.2734 -158.33 -36.6545 82.6468 40.9004 162.5758 -78.1228 150.0047 26.6679 -87.4398 calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|calculate D2E/DX2 analytically|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. 0.00010 0.00069 0.00136 0.00146 0.00208 0.00327 0.00583 0.00697 0.00783 0.00940 0.01006 0.01197 0.01303 0.01348 0.01740 0.01853 0.01953 0.02137 0.02382 0.02438 0.02636 0.02888 0.03043 0.03122 0.04328 0.04614 0.04781 0.05162 0.05227 0.05510 0.05626 0.05662 0.05743 0.06081 0.06821 0.07751 0.08746 0.09367 0.09862 0.10512 0.10704 0.11002 0.11420 0.11590 0.11684 0.11733 0.12053 0.12170 0.12379 0.12737 0.13053 0.13200 0.13511 0.13753 0.14261 0.14457 0.15785 0.17863 0.18674 0.18949 0.19127 0.19443 0.19600 0.21513 0.22036 0.22825 0.24328 0.26644 0.27946 0.28378 0.31227 0.31236 0.31507 0.32926 0.33047 0.33423 0.33700 0.33864 0.34112 0.34389 0.34703 0.35627 0.35741 0.36101 0.36195 0.36207 0.36423 0.37029 0.38516 0.38652 0.40835 0.42898 0.43214 0.46367 0.46851 0.47525 0.48478 0.48744 0.48906 0.52347 0.60517 1.50861 Angle between quadratic step and forces= 78.36 degrees. 1 2 3 0.00097806 0.00000519 0.00000000 0.00000180 0.00000001 0.00000001 R1 R2 R3 R4 R5 R6 R7 R8 R9 R10 R11 R12 R13 R14 R15 R16 R17 R18 R19 R20 R21 R22 R23 R24 R25 R26 R27 R28 R29 R30 R31 R32 R33 R34 R35 R36 R37 A1 A2 A3 A4 A5 A6 A7 A8 A9 A10 A11 A12 A13 A14 A15 A16 A17 A18 A19 A20 A21 A22 A23 A24 A25 A26 A27 A28 A29 A30 A31 A32 A33 A34 A35 A36 A37 A38 A39 A40 A41 A42 A43 A44 A45 A46 A47 A48 A49 A50 A51 A52 A53 A54 A55 A56 A57 A58 A59 A60 A61 A62 D1 D2 D3 D4 D5 D6 D7 D8 D9 D10 D11 D12 D13 D14 D15 D16 D17 D18 D19 D20 D21 D22 D23 D24 D25 D26 D27 D28 D29 D30 D31 D32 D33 D34 D35 D36 D37 D38 D39 D40 D41 D42 D43 D44 D45 D46 D47 D48 D49 D50 D51 D52 D53 D54 D55 D56 D57 D58 D59 D60 D61 D62 D63 D64 D65 D66 D67 D68 D69 D70 D71 D72 D73 D74 D75 D76 D77 D78 D79 D80 2.63343 2.63813 2.06533 2.63761 2.06476 2.63352 2.06541 2.65948 2.06859 2.65288 3.03294 2.06636 4.49712 3.04046 2.30432 4.36008 2.53047 2.53465 2.56760 2.04971 2.60250 2.05009 2.60936 1.92218 1.91876 2.82251 2.82148 2.82290 2.08313 2.09768 2.08560 2.08170 2.08685 2.09707 2.08440 2.08374 2.09754 2.09595 2.09418 2.09305 2.08443 2.09976 2.09898 2.09411 2.09486 2.09418 2.12592 2.07539 2.08172 2.04147 2.13846 2.10222 2.12448 2.08280 2.07589 2.68451 1.93275 1.97999 1.98381 1.87570 1.84829 1.83431 2.26025 2.18857 1.83164 2.28456 1.85471 2.14377 2.28657 1.85047 2.14607 1.94486 2.11167 2.22121 1.94304 2.11851 2.22090 2.08252 2.08106 2.06985 1.94931 1.95167 1.95284 1.85388 1.90013 1.85056 1.94798 1.94571 1.95294 1.89655 1.86315 1.85284 1.97534 1.94795 1.95562 1.95152 1.89046 1.85658 1.85630 0.00365 3.13940 -3.13576 -0.00001 -0.00383 -3.13995 3.13557 -0.00054 -0.00086 3.13068 -3.13662 -0.00508 -0.00186 3.12074 -3.13341 -0.01081 0.00171 -3.09128 -3.12082 0.06937 3.11075 -0.04935 0.00113 3.13727 3.09519 -0.05186 0.95719 3.06794 -1.12082 -2.13416 -0.02341 2.07102 -2.18583 -2.78016 0.45310 1.33159 -1.71834 -0.62207 2.61119 -3.07337 0.17230 -0.00908 -3.04660 3.07220 -0.10767 0.00377 3.10709 -0.01377 3.11465 -3.13646 -0.00804 0.01099 3.04044 -3.11360 -0.08415 0.00282 -3.09772 3.13256 0.03202 -0.61714 1.45778 -2.75231 2.86254 -1.34573 0.72737 0.54243 2.66689 -1.54427 -2.93508 -0.81062 1.26141 -2.76338 -0.63974 1.44246 0.71385 2.83748 -1.36350 2.61808 0.46544 -1.52611 -0.00000 -0.00000 0.00000 -0.00000 0.00001 0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 0.00001 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 0.00001 -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 0.00002 -0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00001 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00001 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00001 0.00000 -0.00000 -0.00001 0.00000 -0.00000 -0.00001 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 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00001 -0.00000 -0.00000 0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 -0.00000 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 -0.00001 0.00003 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00375 0.00001 0.00002 -0.00015 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00002 -0.00001 0.00002 -0.00003 0.00000 0.00002 -0.00005 0.00007 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00003 -0.00003 0.00002 -0.00001 -0.00001 -0.00002 0.00004 -0.00002 0.00001 0.00008 -0.00008 0.00002 -0.00009 0.00008 -0.00002 0.00001 0.00001 0.00105 -0.00004 -0.00002 0.00003 -0.00007 0.00004 0.00006 -0.00004 0.00003 0.00000 -0.00001 0.00000 0.00000 0.00002 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00002 0.00031 -0.00005 -0.00018 0.00003 0.00005 -0.00005 0.00009 -0.00004 -0.00008 0.00015 -0.00009 0.00003 -0.00013 0.00021 -0.00017 -0.00159 0.00000 0.00003 -0.00002 0.00000 -0.00000 -0.00001 -0.00001 -0.00004 -0.00001 -0.00005 0.00000 0.00001 0.00001 0.00002 -0.00001 0.00004 0.00002 0.00007 0.00003 0.00006 -0.00002 0.00001 -0.00003 -0.00008 -0.00006 -0.00011 0.00282 0.00285 0.00001 0.00001 0.00006 0.00005 0.00006 -0.00008 0.00001 0.00000 -0.00013 -0.00004 0.00097 0.00012 0.00021 0.00022 0.00031 0.00016 0.00025 0.00016 0.00014 0.00008 0.00007 -0.00013 -0.00004 -0.00006 0.00003 -0.00006 -0.00002 0.00000 0.00004 -0.00008 -0.00006 -0.00003 -0.00001 0.00001 -0.00009 0.00005 -0.00005 0.00101 0.00118 0.00108 0.00078 0.00095 0.00085 -0.00301 -0.00314 -0.00339 -0.00276 -0.00289 -0.00314 -0.00001 0.00001 0.00001 -0.00034 -0.00031 -0.00032 -0.00180 -0.00169 -0.00154 -0.00000 -0.00000 0.00000 -0.00001 0.00003 0.00000 0.00000 -0.00001 -0.00001 0.00000 0.00001 -0.00000 0.00375 0.00001 0.00002 -0.00015 0.00001 -0.00000 -0.00000 0.00000 -0.00000 0.00000 0.00001 0.00000 0.00000 -0.00002 -0.00001 0.00002 -0.00003 0.00000 0.00002 -0.00005 0.00007 -0.00001 0.00000 0.00001 -0.00000 -0.00000 0.00003 -0.00003 0.00002 -0.00001 -0.00001 -0.00002 0.00004 -0.00002 0.00001 0.00008 -0.00008 0.00002 -0.00009 0.00008 -0.00002 0.00001 0.00001 0.00105 -0.00004 -0.00002 0.00003 -0.00007 0.00004 0.00006 -0.00004 0.00003 0.00000 -0.00001 0.00000 0.00000 0.00002 -0.00000 -0.00001 -0.00000 -0.00001 0.00001 0.00000 -0.00002 0.00002 0.00031 -0.00005 -0.00018 0.00003 0.00005 -0.00005 0.00009 -0.00004 -0.00008 0.00015 -0.00009 0.00003 -0.00013 0.00021 -0.00017 -0.00159 0.00000 0.00003 -0.00002 0.00000 -0.00000 -0.00001 -0.00001 -0.00004 -0.00001 -0.00005 0.00000 0.00001 0.00001 0.00002 -0.00001 0.00004 0.00002 0.00007 0.00003 0.00006 -0.00002 0.00001 -0.00003 -0.00008 -0.00006 -0.00011 0.00282 0.00285 0.00001 0.00001 0.00006 0.00005 0.00006 -0.00008 0.00001 0.00000 -0.00013 -0.00004 0.00097 0.00012 0.00021 0.00022 0.00031 0.00016 0.00025 0.00016 0.00014 0.00008 0.00007 -0.00013 -0.00004 -0.00006 0.00003 -0.00006 -0.00002 0.00000 0.00004 -0.00008 -0.00006 -0.00003 -0.00001 0.00001 -0.00009 0.00005 -0.00005 0.00101 0.00118 0.00108 0.00078 0.00095 0.00085 -0.00301 -0.00314 -0.00339 -0.00276 -0.00289 -0.00314 -0.00001 0.00001 0.00001 -0.00034 -0.00031 -0.00032 -0.00180 -0.00169 -0.00154 2.63343 2.63812 2.06534 2.63760 2.06479 2.63352 2.06541 2.65947 2.06858 2.65288 3.03295 2.06636 4.50087 3.04047 2.30434 4.35993 2.53048 2.53465 2.56760 2.04971 2.60250 2.05009 2.60937 1.92218 1.91877 2.82249 2.82148 2.82292 2.08311 2.09768 2.08562 2.08165 2.08692 2.09706 2.08440 2.08375 2.09754 2.09595 2.09421 2.09302 2.08445 2.09975 2.09897 2.09408 2.09490 2.09416 2.12593 2.07547 2.08163 2.04149 2.13837 2.10230 2.12447 2.08281 2.07590 2.68556 1.93271 1.97997 1.98384 1.87563 1.84833 1.83437 2.26021 2.18860 1.83164 2.28455 1.85471 2.14377 2.28659 1.85047 2.14605 1.94486 2.11167 2.22123 1.94304 2.11850 2.22092 2.08283 2.08101 2.06968 1.94934 1.95172 1.95280 1.85397 1.90009 1.85048 1.94814 1.94562 1.95297 1.89642 1.86336 1.85268 1.97375 1.94796 1.95565 1.95150 1.89046 1.85658 1.85629 0.00364 3.13936 -3.13577 -0.00005 -0.00383 -3.13994 3.13559 -0.00052 -0.00087 3.13072 -3.13659 -0.00501 -0.00184 3.12079 -3.13343 -0.01080 0.00169 -3.09136 -3.12087 0.06926 3.11357 -0.04650 0.00114 3.13727 3.09525 -0.05180 0.95725 3.06786 -1.12081 -2.13415 -0.02354 2.07097 -2.18486 -2.78004 0.45331 1.33180 -1.71803 -0.62192 2.61143 -3.07321 0.17244 -0.00900 -3.04653 3.07207 -0.10772 0.00372 3.10712 -0.01382 3.11463 -3.13646 -0.00800 0.01091 3.04038 -3.11363 -0.08416 0.00283 -3.09781 3.13261 0.03197 -0.61613 1.45896 -2.75123 2.86332 -1.34478 0.72822 0.53942 2.66375 -1.54766 -2.93784 -0.81351 1.25827 -2.76339 -0.63973 1.44247 0.71351 2.83718 -1.36382 2.61628 0.46376 -1.52765 |Maximum Force|RMS Force|Maximum Displacement|RMS Displacement| 0.000023 0.000003 0.007040 0.000979 0.000450 0.000300 0.001800 0.001200 YES YES NO YES -4.787093e-08 def2SVP (5D, 7F) 0.10000e-02 0.10000e-05 F 363 A 345 A 345 600 363 71 70 1380.5269738177 36 36 36 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 -0.0316334692 0.000000 1.393552 0.000000 2.408638 1.395765 0.000000 2.776934 2.415458 1.393597 0.000000 2.445556 2.832898 2.447462 1.407336 0.000000 1.396036 2.416939 2.779264 2.396511 1.403843 0.000000 1.092927 2.158460 3.401361 3.869832 3.429941 2.160007 0.000000 3.401290 2.160900 1.092967 2.158534 3.432483 3.872183 4.307201 0.000000 3.871347 3.400359 2.148348 1.094653 2.164591 3.393900 4.964229 2.469136 0.000000 2.154148 3.402996 3.872690 3.391235 2.156864 1.093472 2.476953 4.965614 4.303179 0.000000 3.913665 4.436815 3.932405 2.642988 1.604965 2.613479 4.773183 4.800867 2.834776 2.779889 0.000000 4.897940 5.207264 4.489546 3.195132 2.644505 3.742108 5.797703 5.174193 3.027454 3.988138 1.608941 0.000000 6.951599 7.115307 6.263634 5.071949 4.819861 5.893580 7.837426 6.722855 4.613716 6.110180 3.817427 2.244425 0.000000 6.225695 6.314253 5.539445 4.532406 4.395223 5.342437 7.082071 5.979329 4.221646 5.660916 3.800455 2.247864 1.358716 0.000000 8.033593 8.177417 7.280664 6.085657 5.869340 6.961659 8.919887 7.679743 5.540559 7.146521 4.788204 3.268067 1.084658 2.225364 0.000000 6.704936 6.699038 5.963099 5.144353 5.142505 5.981275 7.515212 6.302148 4.864059 6.341228 4.759738 3.272639 2.226556 1.084863 2.780733 0.000000 6.230570 6.508170 5.692987 4.371143 3.923896 5.045505 7.125169 6.270803 3.970207 5.203400 2.668854 1.339068 1.377184 2.188845 2.166278 3.258254 0.000000 4.878460 5.044443 4.352974 3.305300 3.037170 3.965771 5.752304 4.943632 3.203139 4.333479 2.624437 1.341278 2.188273 1.380815 3.257530 2.171078 2.125679 0.000000 4.131801 4.247282 3.686992 2.876037 2.704652 3.422259 4.976956 4.310044 3.031683 3.907514 2.839344 2.061158 3.175960 2.152865 4.225419 2.587772 3.094298 1.015366 0.000000 4.198045 5.035007 4.816009 3.662189 2.370688 2.803165 4.842942 5.780850 4.015332 2.472861 1.219393 2.292067 4.276158 4.325556 5.186965 5.266887 3.137166 3.239639 3.451348 0.000000 5.498661 5.810567 5.080937 3.808095 3.297265 4.347094 6.370998 5.715917 3.546065 4.526354 2.307255 3.153732 4.763660 5.251740 5.442479 6.296206 3.439546 4.405991 4.841266 2.876808 0.000000 7.924699 7.631984 6.383043 5.294146 5.692127 7.067554 8.983390 6.424268 4.321045 7.612959 4.998375 3.917377 3.138890 3.746751 3.154526 4.311336 3.271276 4.145745 4.876011 5.936966 4.764678 0.000000 8.572126 8.409811 7.200536 5.999324 6.204873 7.582443 9.613769 7.331014 5.055799 8.007102 5.253585 4.404711 3.756091 4.703168 3.607446 5.429311 3.545996 5.004266 5.825861 6.063913 4.426140 1.493608 0.000000 7.941270 7.879219 6.737659 5.471656 5.540116 6.892039 8.959758 6.977209 4.605334 7.260170 4.507200 3.932347 3.804606 4.756235 3.873075 5.632903 3.193095 4.782700 5.580779 5.279780 3.394987 2.159376 1.102347 0.000000 9.282266 9.017226 7.750260 6.630134 6.967944 8.360723 10.342060 7.765024 5.624289 8.841859 6.122341 5.403247 4.840629 5.724516 4.655563 6.393424 4.628366 5.995371 6.757362 6.981544 5.029915 2.166956 1.110043 1.769444 0.000000 9.266364 9.208830 8.055125 6.805685 6.860512 8.195175 10.276646 8.252390 5.926899 8.513299 5.742133 4.762346 3.700254 4.838158 3.262090 5.529959 3.663760 5.345843 6.260699 6.392388 5.008613 2.162878 1.103650 1.794479 1.768281 0.000000 6.754098 6.314616 5.008362 4.028679 4.678470 6.053645 7.836516 4.969935 2.990058 6.748811 4.354640 3.532013 3.546175 3.715276 3.973079 4.286566 3.423597 3.682774 4.166419 5.464940 4.295403 1.493065 2.577621 2.738037 3.067532 3.487088 0.000000 6.105847 5.775436 4.515826 3.396582 3.922694 5.322727 7.185159 4.628933 2.379771 5.982592 3.540753 3.056633 3.671099 3.913194 4.247853 4.676291 3.125161 3.543649 4.007392 4.675323 3.243649 2.157377 2.716260 2.415399 3.252246 3.674388 1.101587 0.000000 6.268221 5.792066 4.529722 3.660624 4.369774 5.662235 7.329507 4.491038 2.740417 6.398586 4.247018 3.269663 3.273625 3.050716 3.846203 3.460588 3.384905 3.030684 3.378267 5.344925 4.749938 2.157849 3.470339 3.648065 4.076015 4.222867 1.104312 1.792095 0.000000 7.209351 6.584145 5.208696 4.442016 5.319759 6.666444 8.300726 4.947706 3.356789 7.456543 5.209634 4.555519 4.628832 4.717275 4.994354 5.170700 4.524734 4.654348 5.003651 6.371568 4.950186 2.167133 3.105728 3.352475 3.219302 4.100920 1.109722 1.774716 1.770068 0.000000 8.901598 8.545038 7.303454 6.335285 6.793364 8.116030 9.942818 7.250804 5.395866 8.672071 6.167107 4.868276 3.506656 3.974000 3.217769 4.193678 4.147873 4.756383 5.458197 7.052519 6.202559 1.493817 2.577172 3.497916 3.018145 2.774030 2.568196 3.497185 2.782713 2.971896 0.000000 8.516424 8.127758 6.937751 6.074473 6.573031 7.819089 9.528877 6.870606 5.221393 8.405250 6.102148 4.708349 3.306596 3.415759 3.160411 3.400197 4.166798 4.297554 4.893329 6.984044 6.527097 2.159112 3.485538 4.260221 4.034627 3.701910 2.752120 3.740469 2.509644 3.204551 1.103016 0.000000 9.616952 9.376048 8.185445 7.137541 7.432656 8.732653 10.632776 8.216729 6.245989 9.183065 6.617233 5.242575 3.528411 4.232295 2.912955 4.442050 4.293071 5.190724 5.998121 7.368350 6.616486 2.164266 2.749731 3.727216 3.237318 2.489160 3.492347 4.283823 3.726586 3.996333 1.102670 1.788000 0.000000 9.586897 9.101281 7.797327 6.935862 7.548503 8.889788 10.648422 7.601377 5.933116 9.519116 7.037146 5.833244 4.607429 4.994991 4.316543 5.133388 5.184872 5.712654 6.332746 7.990839 6.902425 2.166981 3.060085 4.054686 3.107146 3.351311 3.015516 4.011253 3.331010 3.011693 1.109970 1.771717 1.771249 0.000000 6.739187 7.058417 6.227130 4.850607 4.348454 5.487131 7.629143 6.807453 4.395153 5.573259 2.915325 2.056787 2.151219 3.176772 2.584151 4.226280 1.017174 3.093206 4.017181 3.284921 2.995837 3.347401 3.173508 2.629938 4.219612 3.212407 3.677418 3.234699 3.924058 4.724069 4.384992 4.643790 4.430283 5.366517 0.000000 2.161612 1.092622 2.163128 3.407446 3.925515 3.409227 2.491193 2.493339 4.301762 4.305834 5.529359 6.259105 8.093585 7.218914 9.148207 7.504004 7.553552 6.000981 5.146343 6.103340 6.845983 8.515726 9.351339 8.858697 9.911345 10.181092 7.149082 6.676602 6.589877 7.311046 9.364400 8.899054 10.238352 9.854733 8.126504 0.000000 C13H19BIN2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 321.86796999999996 AuxInfo=1/0/N:2,1,3,6,4,13,14,5,12,11,21,17,18;23,27,31,22/E:(2,3)(4,5)(6,7)(12,13);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4;4.3/rA:36nC3C3C3C3C3C3HHHHB4C3C3C3HHNNHHIC3CHHHCHHHCHHHHH/rB:s1;s2;s3;s4;s1s5;s1;s3;s4;s6;s5;s11;;s13;s13;s14;s12s13;s12s14;s18;s11;s11;;s22;s23;s23;s23;s22;s27;s27;s27;s22;s31;s31;s31;s17;s2;/rC:-4.4847,-1.2579,-.0511;-4.2044,-1.8565,1.1757;-2.9256,-1.7351,1.7217;-1.9422,-1.0208,1.04;-2.1962,-.4089,-.2016;-3.4907,-.5476,-.7267;-5.4845,-1.3425,-.4845;-2.6979,-2.192,2.6881;-.951,-.92,1.4936;-3.7247,-.0814,-1.6878;-1.0592,.36,-1.0334;.2093,-.5975,-1.284;2.241,-1.3975,-1.8033;1.4112,-2.462,-1.6471;3.2998,-1.3502,-2.0339;1.5982,-3.5278,-1.7251;1.4741,-.275,-1.583;.1745,-1.9376,-1.3273;-.6729,-2.4519,-1.1077;-1.4391,.7568,-2.1221;-.2366,2.2323,.035;3.3444,-.7387,1.0605;3.812,.6717,.9094;2.9735,1.3601,.7136;4.309,1.0426,1.8301;4.5548,.7745,.0996;2.0295,-1.007,1.715;1.3133,-.1892,1.5369;1.5841,-1.9514,1.3556;2.1286,-1.1113,2.8154;4.3382,-1.8504,.9704;3.8543,-2.8081,.7148;5.1205,-1.6465,.2206;4.8639,-2.0129,1.9344;1.793,.6899,-1.5389;-4.9802,-2.4116,1.7084; 0.3691087 0.2408514 0.1833810 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. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 362 362 362 362 362 MxSgAt= 36 MxSgA2= 36. 1 open 1 1 1 -938.313204989654 -938.313204990 1 0.7548 7.465868565535e+02 -4.873801921938e+03 1.808406520046e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1572591310 LenY= 1572459100 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. 0.7548 Using compressed storage, NAtomX= 36. Will process 37 centers per pass. Symmetrizing basis deriv contribution to polar: IMax=3 JMax=2 DiffMx= 0.00D+00 Minotr: UHF open shell wavefunction. IDoAtm=111111111111111111111111111111111111 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. Defaulting to unpruned grid for atomic number 53. 10848 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= 108 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= 108 NMatS0= 108 NMatT0= 0 NMatD0= 108 NMtDS0= 0 NMtDT0= 0 Integrals replicated using symmetry in FoFCou. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. Defaulting to unpruned grid for atomic number 53. There are 111 degrees of freedom in the 1st order CPHF. IDoFFX=6 NUNeed= 3. 108 vectors produced by pass 0 Test12= 3.87D-14 1.00D-09 XBig12= 2.05D+02 2.67D+00. AX will form 108 AO Fock derivatives at one time. 108 vectors produced by pass 1 Test12= 3.87D-14 1.00D-09 XBig12= 1.90D+01 4.95D-01. 108 vectors produced by pass 2 Test12= 3.87D-14 1.00D-09 XBig12= 3.78D-01 8.49D-02. 108 vectors produced by pass 3 Test12= 3.87D-14 1.00D-09 XBig12= 6.83D-03 1.01D-02. 108 vectors produced by pass 4 Test12= 3.87D-14 1.00D-09 XBig12= 6.32D-05 8.30D-04. 108 vectors produced by pass 5 Test12= 3.87D-14 1.00D-09 XBig12= 5.46D-07 5.51D-05. 108 vectors produced by pass 6 Test12= 3.87D-14 1.00D-09 XBig12= 4.04D-09 5.38D-06. 53 vectors produced by pass 7 Test12= 3.87D-14 1.00D-09 XBig12= 3.00D-11 4.33D-07. 8 vectors produced by pass 8 Test12= 3.87D-14 1.00D-09 XBig12= 2.49D-13 3.84D-08. 3 vectors produced by pass 9 Test12= 3.87D-14 1.00D-09 XBig12= 3.33D-15 5.66D-09. 1 vectors produced by pass 10 Test12= 3.87D-14 1.00D-09 XBig12= 8.14D-17 1.07D-09. InvSVY: IOpt=1 It= 1 EMax= 8.88D-15 Solved reduced A of dimension 821 with 111 vectors. FullF1: Do perturbations 1 to 3. Isotropic polarizability for W= 0.000000 191.49 Bohr**3. End of Minotr F.D. properties file 721 does not exist. 230.803 15.311 185.503 -0.974 -6.745 158.178 233.332 18.840 215.297 2.844 -10.088 191.689 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 C C C C C C H H H H B C C C H H N N H H I C C H H H C H H H C H H H H H 13 13 13 13 13 13 1 1 1 1 11 13 13 13 1 1 14 14 1 1 127 13 13 1 1 1 13 1 1 1 13 1 1 1 1 1 0.00000 0.00001 -0.00000 0.00008 -0.00005 0.00001 -0.00000 0.00000 -0.00000 0.00000 0.00004 -0.00081 0.00201 0.00227 0.00071 -0.00018 0.00506 0.00135 -0.00008 -0.00006 0.00000 0.21534 -0.03936 0.00496 0.02562 0.00692 -0.03950 0.00355 0.00838 0.02419 -0.03978 0.00627 0.00491 0.02373 -0.00002 0.00000 0.00079 0.00627 -0.00045 0.08754 -0.06145 0.00675 -0.00033 0.00398 -0.01264 0.00259 0.06302 -0.90673 2.25854 2.55008 3.15158 -0.82631 1.63532 0.43611 -0.37068 -0.27940 0.00050 242.08846 -44.24360 22.17956 114.51645 30.95184 -44.40032 15.84613 37.44980 108.11349 -44.72446 28.00784 21.95905 106.06569 -0.07680 0.00051 0.00028 0.00224 -0.00016 0.03124 -0.02193 0.00241 -0.00012 0.00142 -0.00451 0.00092 0.02249 -0.32354 0.80590 0.90993 1.12456 -0.29485 0.58352 0.15562 -0.13227 -0.09970 0.00018 86.38318 -15.78722 7.91422 40.86232 11.04439 -15.84314 5.65429 13.36302 38.57758 -15.95880 9.99390 7.83553 37.84688 -0.02741 0.00018 0.00026 0.00209 -0.00015 0.02920 -0.02050 0.00225 -0.00011 0.00133 -0.00422 0.00086 0.02102 -0.30245 0.75337 0.85061 1.05125 -0.27563 0.54548 0.14547 -0.12365 -0.09320 0.00017 80.75202 -14.75808 7.39830 38.19858 10.32442 -14.81035 5.28570 12.49191 36.06278 -14.91847 9.34241 7.32475 35.37971 -0.02562 0.00017 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 0.000577 0.000645 0.001065 0.001981 0.001418 0.000760 0.000391 0.000922 0.003345 0.000538 0.001541 0.003803 0.000056 -0.006505 -0.005028 -0.001791 -0.003383 -0.003723 0.001819 0.000686 0.001017 -0.347375 -0.006266 -0.009212 -0.004582 0.000122 0.006175 0.013227 0.008244 0.001777 0.004095 -0.007038 0.009672 0.002788 -0.001944 0.000448 -0.000300 -0.000319 -0.000542 -0.001036 -0.000772 -0.000413 -0.000204 -0.000491 -0.001774 -0.000324 -0.000898 -0.000857 -0.001496 -0.007999 -0.004346 0.001523 -0.010830 -0.007859 -0.001126 -0.000518 0.000130 -0.515692 0.012408 0.016428 0.008436 0.004884 -0.009814 -0.008036 -0.001702 -0.008283 0.003964 0.014325 -0.004066 0.000753 -0.000297 -0.000217 -0.000277 -0.000326 -0.000523 -0.000945 -0.000646 -0.000347 -0.000186 -0.000432 -0.001571 -0.000214 -0.000643 -0.002947 0.001440 0.014504 0.009374 0.000268 0.014213 0.011582 -0.000694 -0.000168 -0.001147 0.863067 -0.006142 -0.007216 -0.003854 -0.005006 0.003639 -0.005191 -0.006542 0.006506 -0.008059 -0.007286 -0.005607 -0.003541 0.002241 -0.000231 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 0.000047 0.000131 0.000239 0.000078 -0.000212 -0.000060 0.000034 0.000340 0.000074 -0.000102 -0.000755 -0.000248 0.001684 0.002250 0.000040 0.001093 -0.003227 0.001572 0.001669 -0.000480 -0.001937 0.049817 0.010172 -0.003020 0.008486 0.011217 0.003911 -0.005274 0.011302 0.002634 -0.014312 -0.007821 -0.009783 -0.010429 -0.002355 0.000133 0.000112 -0.000021 -0.000178 0.000044 0.000468 0.000284 0.000097 -0.000385 -0.000502 0.000324 0.001159 0.002453 0.003793 0.008600 -0.000617 0.001627 0.015184 0.006257 0.001216 0.000879 0.000714 0.502950 0.002881 0.000509 0.003915 -0.004488 -0.011569 -0.006728 -0.004648 -0.009370 0.002940 -0.000393 -0.005655 0.005494 0.004382 -0.000057 0.000006 0.000001 -0.000026 0.000022 -0.000022 -0.000004 0.000006 -0.000085 0.000013 -0.000032 -0.000276 -0.000082 0.003739 0.003139 0.003197 0.002271 -0.005634 0.001283 0.000447 -0.000286 -0.000545 0.138473 0.002953 -0.002056 0.004814 -0.006906 -0.002523 0.002477 -0.003825 -0.003169 -0.002241 0.001951 0.004096 -0.003593 -0.004487 -0.000010 -0.0483 0.9981 -0.037 -0.1299 0.0304 0.9911 0.9903 0.0527 0.1282 -3.0E-4 -3.0E-4 6.0E-4 -0.041 -0.039 0.08 -0.014 -0.014 0.028 -0.014 -0.013 0.027 1 C 13 -0.1314 0.9322 -0.3374 -0.0251 0.3371 0.9411 0.991 0.1322 -0.0209 -3.0E-4 -3.0E-4 7.0E-4 -0.045 -0.044 0.089 -0.016 -0.016 0.032 -0.015 -0.015 0.03 2 C 13 -0.1447 0.9895 -0.0069 0.107 0.0226 0.994 0.9837 0.1431 -0.1091 -6.0E-4 -5.0E-4 0.0011 -0.077 -0.073 0.15 -0.028 -0.026 0.054 -0.026 -0.024 0.05 3 C 13 -0.022 0.9763 -0.2151 -0.0204 0.2147 0.9765 0.9995 0.0259 0.0152 -0.001 -9.0E-4 0.002 -0.14 -0.126 0.266 -0.05 -0.045 0.095 -0.047 -0.042 0.089 4 C 13 0.1649 0.9151 -0.3681 -0.158 0.3929 0.9059 0.9736 -0.0912 0.2093 -8.0E-4 -7.0E-4 0.0015 -0.108 -0.099 0.206 -0.038 -0.035 0.074 -0.036 -0.033 0.069 5 C 13 0.1941 0.7283 -0.6572 -0.1392 0.6836 0.7165 0.9711 -0.0476 0.234 -4.0E-4 -4.0E-4 8.0E-4 -0.057 -0.054 0.112 -0.02 -0.019 0.04 -0.019 -0.018 0.037 6 C 13 -0.0238 0.98 -0.1974 -0.1698 0.1907 0.9669 0.9852 0.0565 0.1619 -2.0E-4 -2.0E-4 4.0E-4 -0.11 -0.108 0.218 -0.039 -0.038 0.078 -0.037 -0.036 0.073 7 H 1 -0.2375 0.9692 -0.0648 0.2278 0.1204 0.9662 0.9443 0.2148 -0.2494 -6.0E-4 -5.0E-4 0.0011 -0.303 -0.285 0.588 -0.108 -0.102 0.21 -0.101 -0.095 0.196 8 H 1 -0.0265 0.9918 -0.1247 0.098 0.1267 0.9871 0.9948 0.0139 -0.1005 -0.0018 -0.0016 0.0034 -0.949 -0.864 1.813 -0.338 -0.308 0.647 -0.316 -0.288 0.605 9 H 1 0.3049 0.7467 -0.5911 -0.1951 0.6565 0.7286 0.9322 -0.1068 0.3459 -3.0E-4 -3.0E-4 7.0E-4 -0.181 -0.176 0.357 -0.065 -0.063 0.127 -0.061 -0.059 0.119 10 H 1 -0.4539 -0.5216 0.7225 -0.0201 0.8166 0.5769 0.8908 -0.2474 0.3811 -0.0012 -0.0011 0.0022 -0.201 -0.184 0.385 -0.072 -0.066 0.137 -0.067 -0.061 0.128 11 B 11 -0.309 6.0E-4 0.951 0.0456 0.9989 0.0142 0.95 -0.0478 0.3087 -0.0037 -9.0E-4 0.0046 -0.502 -0.117 0.619 -0.179 -0.042 0.221 -0.168 -0.039 0.206 12 C 13 0.3018 0.6942 -0.6535 0.7899 -0.5659 -0.2363 0.5338 0.4449 0.7191 -0.0043 -0.0023 0.0066 -0.575 -0.307 0.881 -0.205 -0.109 0.315 -0.192 -0.102 0.294 13 C 13 0.8243 -0.5214 -0.2205 0.4541 0.8415 -0.2925 0.3381 0.141 0.9305 -0.0102 -0.0079 0.0181 -1.373 -1.057 2.429 -0.49 -0.377 0.867 -0.458 -0.353 0.81 14 C 13 0.7031 -0.6878 0.1803 0.71 0.6931 -0.1247 -0.0392 0.2157 0.9757 -0.0052 -0.0049 0.0101 -2.788 -2.604 5.392 -0.995 -0.929 1.924 -0.93 -0.869 1.798 15 H 1 0.8574 0.0535 -0.5119 -0.407 0.6792 -0.6107 0.315 0.732 0.6041 -0.0027 -0.0012 0.0039 -1.438 -0.626 2.064 -0.513 -0.223 0.736 -0.48 -0.209 0.688 16 H 1 0.8385 -0.1666 -0.5188 0.2366 0.969 0.0711 0.4909 -0.1824 0.8519 -0.0121 -0.012 0.0242 -0.468 -0.464 0.932 -0.167 -0.166 0.333 -0.156 -0.155 0.311 17 N 14 -0.3899 0.9187 0.063 0.8562 0.3868 -0.3424 0.3389 0.0795 0.9375 -0.0084 -0.0055 0.014 -0.325 -0.213 0.538 -0.116 -0.076 0.192 -0.109 -0.071 0.18 18 N 14 -0.4382 0.8919 0.1122 -0.25 -0.2408 0.9378 0.8634 0.3829 0.3285 -0.0019 -0.0011 0.003 -1.008 -0.604 1.612 -0.36 -0.216 0.575 -0.336 -0.202 0.538 19 H 1 -0.5737 -0.2601 0.7767 0.0852 0.9241 0.3724 0.8147 -0.2798 0.508 -7.0E-4 -7.0E-4 0.0014 -0.385 -0.362 0.747 -0.137 -0.129 0.266 -0.128 -0.121 0.249 20 H 1 0.6466 0.714 -0.2684 0.0031 0.3494 0.937 0.7628 -0.6067 0.2237 -0.0014 -0.0013 0.0028 -0.153 -0.145 0.297 -0.054 -0.052 0.106 -0.051 -0.048 0.099 21 I 127 0.3451 0.9135 -0.2155 0.8755 -0.396 -0.2769 0.3383 0.0931 0.9364 -0.5295 -0.529 1.0585 -71.058 -70.986 142.044 -25.355 -25.33 50.685 -23.703 -23.678 47.381 22 C 13 0.888 -0.3445 -0.3046 0.2185 -0.2668 0.9386 0.4046 0.9001 0.1617 -0.0112 -0.0063 0.0175 -1.503 -0.847 2.35 -0.536 -0.302 0.838 -0.501 -0.282 0.784 23 C 13 0.9872 0.1051 -0.1204 0.11 0.0994 0.9889 -0.1159 0.9895 -0.0866 -0.0096 -0.0074 0.017 -5.12 -3.93 9.05 -1.827 -1.402 3.229 -1.708 -1.311 3.019 24 H 1 0.8798 -0.328 -0.344 0.1877 -0.4252 0.8854 0.4367 0.8436 0.3125 -0.0093 -0.0053 0.0146 -4.95 -2.847 7.796 -1.766 -1.016 2.782 -1.651 -0.95 2.6 25 H 1 -0.567 0.6731 0.4748 0.5841 -0.078 0.8079 0.5809 0.7354 -0.349 -0.0094 -0.0076 0.017 -5.035 -4.046 9.081 -1.797 -1.444 3.24 -1.679 -1.35 3.029 26 H 1 -0.2406 0.9703 -0.0234 0.631 0.1747 0.7559 0.7375 0.1671 -0.6543 -0.0107 -0.0066 0.0173 -1.439 -0.886 2.325 -0.513 -0.316 0.83 -0.48 -0.295 0.775 27 C 13 0.1106 0.9291 -0.353 0.3669 0.2919 0.8833 0.9237 -0.2272 -0.3086 -0.0096 -0.0072 0.0168 -5.125 -3.824 8.949 -1.829 -1.364 3.193 -1.709 -1.276 2.985 28 H 1 -0.4076 0.8096 0.4225 0.4245 -0.2417 0.8726 0.8085 0.535 -0.2452 -0.0094 -0.0077 0.0171 -5.009 -4.132 9.141 -1.787 -1.474 3.262 -1.671 -1.378 3.049 29 H 1 -0.1379 0.9835 0.1175 0.7837 0.0358 0.6201 -0.6057 -0.1776 0.7756 -0.009 -0.0055 0.0145 -4.818 -2.944 7.762 -1.719 -1.05 2.77 -1.607 -0.982 2.589 30 H 1 0.7053 0.6634 -0.2499 0.0847 0.2711 0.9588 0.7038 -0.6974 0.135 -0.0104 -0.0084 0.0188 -1.397 -1.132 2.528 -0.498 -0.404 0.902 -0.466 -0.377 0.843 31 C 13 0.9427 0.3165 -0.1059 0.126 -0.0436 0.9911 -0.3091 0.9476 0.081 -0.0096 -0.0074 0.017 -5.133 -3.96 9.093 -1.832 -1.413 3.245 -1.712 -1.321 3.033 32 H 1 0.3012 0.8476 -0.4369 0.4463 0.2796 0.8501 0.8427 -0.451 -0.2941 -0.0097 -0.0072 0.0169 -5.151 -3.857 9.008 -1.838 -1.376 3.214 -1.718 -1.287 3.005 33 H 1 0.7057 0.65 -0.2818 -0.0444 0.4376 0.8981 0.7071 -0.6213 0.3377 -0.009 -0.0056 0.0146 -4.808 -2.968 7.776 -1.716 -1.059 2.775 -1.604 -0.99 2.594 34 H 1 0.7658 -0.2066 -0.6089 0.4666 0.8302 0.305 0.4425 -0.5177 0.7322 -0.0048 -0.0033 0.0081 -2.557 -1.744 4.302 -0.912 -0.622 1.535 -0.853 -0.582 1.435 35 H 1 (Enter /usr/local/CompChem/Gaussian/g16/l716.exe) PT7807.700S 2024-09-28T10:51:42.000 -14.54567 -14.54186 -10.39486 -10.37777 -10.37658 -10.30616 -10.30078 -10.29509 -10.29220 -10.29203 -10.29152 -10.29002 -10.28837 -10.28603 -10.27296 -6.90194 -6.83611 -4.91982 -4.91187 -4.91100 -1.95413 -1.95191 -1.95111 -1.94432 -1.94432 -1.18057 -1.03950 -0.93405 -0.90409 -0.90092 -0.82343 -0.82235 -0.78876 -0.78655 -0.78361 -0.75636 -0.73972 -0.69557 -0.67691 -0.67064 -0.62848 -0.62037 -0.60372 -0.59259 -0.57493 -0.56495 -0.56180 -0.53621 -0.53331 -0.53307 -0.52438 -0.51863 -0.49091 -0.47587 -0.47210 -0.46774 -0.45383 -0.44907 -0.44433 -0.43361 -0.43283 -0.42252 -0.40484 -0.39283 -0.36781 -0.34501 -0.31984 -0.30844 -0.29502 -0.28881 -0.25431 0.04438 0.06161 0.06706 0.07441 0.10068 0.13176 0.13803 0.14276 0.15263 0.15741 0.16392 0.18196 0.19248 0.19516 0.19929 0.20493 0.20924 0.21637 0.22048 0.22914 0.23313 0.23475 0.24534 0.24913 0.25213 0.26138 0.27336 0.28322 0.30123 0.30514 0.31662 0.34049 0.34551 0.36745 0.37608 0.38340 0.38973 0.39971 0.40672 0.41805 0.42380 0.44037 0.44752 0.46354 0.47467 0.47935 0.48555 0.48898 0.49628 0.50119 0.50765 0.51816 0.52466 0.52799 0.54346 0.54955 0.55071 0.55966 0.56166 0.57046 0.57517 0.57898 0.59129 0.59930 0.60264 0.61456 0.62667 0.64333 0.64559 0.65430 0.66167 0.66548 0.68358 0.69001 0.69380 0.70001 0.70336 0.70801 0.71050 0.72567 0.73584 0.73861 0.74605 0.75007 0.75412 0.75579 0.75930 0.76282 0.77137 0.78253 0.78437 0.79058 0.79465 0.80032 0.80486 0.80767 0.81957 0.82612 0.82845 0.83834 0.84361 0.85156 0.86904 0.87249 0.87889 0.88723 0.89513 0.90685 0.92032 0.93897 0.94753 0.95710 0.97137 0.98355 1.00172 1.00615 1.03704 1.05433 1.06444 1.06943 1.08263 1.09569 1.12293 1.14404 1.16231 1.18475 1.21250 1.22863 1.24013 1.25440 1.26540 1.28803 1.29430 1.31086 1.34475 1.35003 1.35651 1.36078 1.36516 1.38284 1.39027 1.39717 1.40850 1.42375 1.47359 1.54173 1.54856 1.56345 1.58906 1.60464 1.61060 1.62564 1.64801 1.64972 1.65172 1.66182 1.66478 1.67256 1.68538 1.68775 1.73023 1.77473 1.77899 1.78449 1.79496 1.81384 1.82008 1.83079 1.83942 1.84643 1.85213 1.85576 1.86402 1.86410 1.87134 1.87281 1.88836 1.89990 1.91548 1.91788 1.93839 1.93951 1.94274 1.94585 1.95288 1.98018 1.98851 1.99425 2.00150 2.01099 2.01449 2.02823 2.03630 2.04791 2.05837 2.06023 2.08623 2.09339 2.09597 2.10390 2.12543 2.14563 2.17159 2.18841 2.20553 2.21080 2.23399 2.24397 2.25881 2.26740 2.27204 2.27833 2.28222 2.32366 2.34139 2.35960 2.39660 2.40703 2.41545 2.43620 2.44019 2.44516 2.45574 2.45825 2.46792 2.47299 2.51138 2.53128 2.54098 2.57335 2.60900 2.62150 2.63948 2.64155 2.65166 2.71747 2.72015 2.72867 2.73496 2.73752 2.75039 2.77678 2.79763 2.80334 2.82212 2.82485 2.84122 2.89594 2.93854 2.95982 2.97089 2.97962 2.98255 2.98792 2.99425 3.00678 3.01128 3.02574 3.03758 3.10864 3.14745 3.15155 3.16182 3.17866 3.22456 3.32699 3.39037 3.59494 3.69168 3.71479 18.93155 19.05599 19.18011 56.76677 -14.54558 -14.54171 -10.39490 -10.37780 -10.37643 -10.30164 -10.29594 -10.29443 -10.29304 -10.29203 -10.29152 -10.29002 -10.28837 -10.28603 -10.27296 -6.90193 -6.83611 -4.91982 -4.91186 -4.91099 -1.95413 -1.95190 -1.95110 -1.94432 -1.94432 -1.18038 -1.03922 -0.93405 -0.90221 -0.88356 -0.82342 -0.82235 -0.78776 -0.78440 -0.78092 -0.75618 -0.73969 -0.69546 -0.67689 -0.67062 -0.62028 -0.60770 -0.60350 -0.59124 -0.57468 -0.56459 -0.56170 -0.52880 -0.52823 -0.52442 -0.51880 -0.51461 -0.49080 -0.46905 -0.46775 -0.46506 -0.45285 -0.44897 -0.44280 -0.42848 -0.42727 -0.42196 -0.40463 -0.39269 -0.36759 -0.34462 -0.31983 -0.30839 -0.29473 -0.28863 0.02907 0.04447 0.06236 0.07045 0.07679 0.10041 0.13161 0.13808 0.14255 0.15270 0.15751 0.16387 0.18254 0.19275 0.19555 0.19945 0.20688 0.21267 0.21791 0.22198 0.23104 0.23340 0.23669 0.24609 0.25010 0.25547 0.26185 0.27591 0.28375 0.30293 0.30613 0.32537 0.34181 0.34994 0.37099 0.37714 0.38451 0.39443 0.40039 0.40818 0.41918 0.42444 0.44133 0.44765 0.46394 0.47627 0.48179 0.48700 0.48968 0.49717 0.50141 0.50824 0.51870 0.52580 0.52936 0.54378 0.55076 0.55349 0.56066 0.56311 0.57155 0.57802 0.58025 0.59196 0.60169 0.60481 0.61533 0.62731 0.64373 0.64744 0.66030 0.66238 0.67862 0.69021 0.69082 0.69774 0.70204 0.70706 0.71147 0.71573 0.72626 0.73825 0.74044 0.74670 0.75145 0.75553 0.75816 0.76046 0.76379 0.77319 0.78334 0.78635 0.79333 0.79615 0.80174 0.80626 0.80846 0.82198 0.82664 0.82980 0.84027 0.84429 0.85197 0.86914 0.87288 0.88012 0.88760 0.89544 0.90717 0.92161 0.94003 0.94798 0.95770 0.97238 0.98493 1.00420 1.00799 1.03861 1.05463 1.06611 1.07312 1.08762 1.09733 1.12402 1.14427 1.16395 1.18513 1.21348 1.23025 1.24564 1.25733 1.27093 1.28827 1.29448 1.31140 1.34479 1.35025 1.35670 1.36084 1.36538 1.38334 1.39035 1.39738 1.40859 1.42384 1.47375 1.54324 1.54902 1.56792 1.59278 1.60903 1.61255 1.62857 1.64899 1.65348 1.65829 1.66424 1.67508 1.68395 1.68733 1.69170 1.73088 1.77485 1.77919 1.78630 1.79838 1.81873 1.82378 1.83628 1.84118 1.85166 1.85478 1.85832 1.86566 1.86908 1.87296 1.87573 1.88974 1.91338 1.91822 1.91986 1.93956 1.94166 1.94469 1.94707 1.95540 1.98093 1.99010 1.99563 2.00277 2.01207 2.01668 2.03253 2.03796 2.04807 2.05883 2.06079 2.08643 2.09346 2.09615 2.10416 2.12574 2.14604 2.17181 2.20134 2.20609 2.21729 2.23854 2.24534 2.26498 2.27430 2.27879 2.28555 2.29423 2.32474 2.34233 2.35971 2.39664 2.40705 2.41560 2.43639 2.44065 2.44548 2.45673 2.46021 2.46946 2.47724 2.51157 2.53254 2.54146 2.57392 2.62114 2.63459 2.63996 2.65043 2.65490 2.71767 2.72227 2.72953 2.73545 2.73963 2.75041 2.77692 2.80067 2.80883 2.82227 2.82511 2.84148 2.89608 2.93877 2.96001 2.97132 2.98047 2.98688 2.99023 2.99604 3.00952 3.01409 3.02859 3.04061 3.10894 3.14974 3.15298 3.16510 3.17885 3.22458 3.32700 3.39046 3.59504 3.69179 3.71479 18.93155 19.05600 19.18011 56.76677 2-A. 1.78173396e+00 -2.47602426e+00 -8.60696162e-01 2.30802585e+02 1.53112537e+01 1.85503496e+02 -9.73963498e-01 -6.74501971e+00 1.58178128e+02 -7.7148 -0.0007 -0.0005 0.0002 4.2394 5.3373 18.5015 28.6930 38.0736 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A|A 18.4944 28.6860 38.0151 51.8515 57.6614 63.8796 67.1225 77.8023 96.8452 99.0804 122.0994 129.6617 144.5220 163.4884 197.2170 223.8971 244.8036 281.3693 298.4521 387.2360 402.4801 416.5613 484.2052 549.0291 590.0111 633.7718 638.2944 648.1917 718.0513 730.4636 731.8887 751.3921 765.8373 782.2375 800.9821 804.6970 882.8226 885.9896 928.8561 930.2969 938.7979 949.1261 961.0403 969.0294 991.6695 1010.6691 1016.0952 1019.9313 1021.5809 1038.3438 1050.1156 1067.2208 1083.1596 1095.1373 1109.9264 1143.2126 1163.2896 1175.3654 1204.3009 1214.4892 1282.1777 1308.1061 1309.0120 1316.4210 1327.0159 1362.6183 1394.6356 1395.0898 1409.7468 1448.7153 1449.7375 1454.3304 1459.0210 1470.1556 1476.7598 1477.9162 1478.6702 1507.5969 1534.3434 1572.8460 1658.5946 1661.1735 1687.6926 2520.5399 2975.8790 2977.4766 2984.7289 3063.2036 3064.1620 3068.6921 3121.5441 3124.1136 3128.6518 3183.6185 3191.7469 3200.4143 3208.8889 3219.9721 3310.3996 3330.3051 3623.4960 3653.8885 3.8629 4.9113 3.1463 4.5712 4.0019 4.6214 2.6919 2.4931 4.8020 6.2197 3.2504 1.1706 1.0827 1.1103 6.2176 4.7983 5.4584 2.3331 4.9800 2.0567 2.1051 2.8103 3.9492 4.9255 5.3713 3.5155 5.4018 3.3424 1.1856 1.5151 1.3421 1.1650 2.3524 3.3710 2.9291 3.5329 1.3555 1.2515 1.2308 1.2284 4.1405 1.4132 1.4854 1.2250 2.0273 1.5586 1.7479 3.5989 1.4237 1.3414 1.6824 1.8252 1.6166 1.4001 1.4741 1.7222 1.6526 1.0977 1.2247 2.6456 3.1317 2.1561 2.0927 1.4598 1.7568 2.8924 1.4902 1.4294 1.2167 1.0520 1.0793 1.1315 2.3072 1.0720 1.1453 2.2769 1.1045 5.3457 2.3866 5.7523 5.4668 3.7509 6.1406 1.0900 1.0484 1.0482 1.0502 1.0876 1.0859 1.0850 1.1042 1.1044 1.1029 1.0870 1.0874 1.0922 1.0963 1.1009 1.0936 1.1127 1.0833 1.0837 0.0008 0.0024 0.0027 0.0072 0.0078 0.0111 0.0071 0.0089 0.0265 0.0360 0.0286 0.0116 0.0133 0.0175 0.1425 0.1417 0.1927 0.1088 0.2614 0.1817 0.2009 0.2873 0.5455 0.8748 1.1017 0.8320 1.2967 0.8274 0.3602 0.4763 0.4236 0.3875 0.8129 1.2153 1.1072 1.3479 0.6224 0.5788 0.6257 0.6264 2.1500 0.7501 0.8083 0.6778 1.1746 0.9380 1.0633 2.2058 0.8754 0.8521 1.0931 1.2248 1.1175 0.9893 1.0700 1.3261 1.3176 0.8935 1.0465 2.2992 3.0334 2.1738 2.1127 1.4905 1.8228 3.1642 1.7077 1.6391 1.4247 1.3009 1.3364 1.4100 2.8937 1.3651 1.4717 2.9302 1.4229 7.1585 3.3104 8.3842 8.8607 6.0985 10.3051 4.0799 5.4704 5.4753 5.5125 6.0129 6.0070 6.0198 6.3391 6.3506 6.3607 6.4909 6.5269 6.5911 6.6509 6.7249 7.0609 7.2710 8.3803 8.5247 0.0200 0.2779 0.4785 0.7219 0.8522 0.6334 0.1899 0.4266 0.1985 0.7021 2.7397 0.0863 0.1120 0.2082 1.2902 3.8379 4.5052 6.6336 1.3507 0.0370 0.1486 0.1168 5.3782 25.0258 21.7615 1.0162 4.5602 8.0322 8.5226 8.9347 27.6281 166.4465 52.4089 0.6951 6.3142 9.3732 0.5682 0.9573 0.5970 0.1704 8.4004 66.0521 20.1676 0.0672 18.8053 3.0600 3.5518 2.0470 0.2160 0.4287 29.7414 1.6744 1.3412 15.1090 2.3277 27.3904 27.5818 0.0506 1.5440 34.4354 47.7469 6.5210 1.9517 5.0622 3.2004 0.3089 10.0367 12.4937 4.5647 0.6309 2.4216 2.4919 5.5771 14.3103 4.4852 8.9257 3.6542 2.5858 1.8151 47.1798 8.5208 70.0082 0.1949 103.1063 35.8550 31.0309 39.3566 30.4559 17.6646 20.8997 15.8830 15.7333 4.7903 3.7969 1.2760 3.2632 28.7805 21.1261 6.1269 2.8620 116.6540 125.1887 -0.09 0.25 0.11 -0.06 0.09 0.02 0.01 -0.12 -0.08 0.03 -0.17 -0.09 -0.00 -0.02 -0.01 -0.06 0.19 0.09 -0.14 0.41 0.19 0.04 -0.25 -0.14 0.09 -0.34 -0.17 -0.09 0.31 0.16 0.01 -0.04 -0.01 0.02 -0.03 -0.00 0.03 -0.01 0.02 0.04 -0.02 -0.02 0.04 0.01 0.04 0.05 -0.01 -0.04 0.02 -0.02 0.02 0.03 -0.03 -0.03 0.03 -0.05 -0.06 0.02 -0.04 -0.02 -0.01 -0.03 -0.01 0.03 0.06 0.02 -0.03 0.08 0.06 -0.05 0.05 0.06 -0.06 0.08 0.08 -0.02 0.13 0.08 0.03 -0.01 -0.00 -0.01 -0.05 -0.01 0.08 -0.03 -0.01 0.02 -0.01 -0.00 0.07 0.10 0.01 0.12 0.08 -0.02 0.07 0.15 0.02 0.07 0.10 0.01 0.01 -0.02 0.05 -0.08 0.13 0.04 -0.04 -0.01 -0.14 -0.10 0.04 -0.10 -0.14 0.08 -0.03 -0.11 0.07 0.01 -0.04 0.02 -0.03 -0.01 -0.02 -0.10 -0.01 -0.04 -0.19 -0.19 0.12 0.00 -0.13 0.11 0.06 0.04 -0.05 -0.13 -0.00 0.00 0.00 -0.03 -0.04 0.02 -0.06 -0.10 0.03 -0.08 -0.08 0.07 -0.06 -0.14 0.02 -0.11 -0.09 0.10 -0.02 -0.08 0.00 -0.07 -0.04 0.06 -0.08 -0.01 0.08 0.03 0.03 -0.00 0.03 -0.04 0.05 0.10 0.12 -0.07 0.00 0.15 -0.07 -0.04 0.10 -0.04 0.00 0.17 -0.08 -0.02 0.20 -0.09 0.13 0.03 -0.02 0.07 -0.02 -0.00 0.19 0.00 -0.01 0.18 0.04 -0.03 0.16 0.18 -0.11 0.22 0.15 -0.09 0.12 0.23 -0.14 0.21 0.22 -0.13 0.00 -0.09 -0.02 -0.13 0.05 -0.12 0.03 -0.05 0.03 0.03 -0.01 0.05 0.02 0.04 0.05 0.01 0.04 0.04 0.00 0.00 0.02 0.01 -0.05 0.02 0.03 -0.09 0.02 0.03 0.07 0.07 0.01 0.08 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 -0.02 -0.01 -0.02 -0.03 -0.04 -0.02 -0.07 -0.02 -0.12 -0.03 -0.05 0.01 -0.10 -0.02 -0.19 -0.01 -0.03 0.04 -0.06 -0.01 -0.12 -0.09 0.00 -0.17 -0.03 0.00 0.01 0.03 -0.00 -0.02 -0.04 0.05 0.04 -0.07 0.09 0.27 -0.07 0.08 0.24 -0.21 -0.00 0.38 0.03 0.21 0.38 -0.06 -0.07 -0.05 -0.06 -0.05 0.05 -0.04 -0.02 -0.22 -0.10 -0.25 -0.07 -0.00 0.09 -0.05 0.04 0.11 -0.19 0.03 0.21 0.01 -0.04 -0.01 -0.05 0.02 -0.04 0.11 0.04 -0.02 0.06 0.03 -0.01 -0.00 0.04 -0.07 -0.03 0.05 -0.09 -0.04 0.04 -0.06 -0.02 0.02 -0.00 0.01 0.02 0.02 0.02 0.02 0.01 0.01 0.06 -0.14 -0.07 0.04 -0.08 -0.02 0.01 0.07 0.05 0.02 0.01 0.02 0.00 -0.01 -0.01 -0.02 -0.04 -0.06 -0.02 -0.03 0.01 -0.03 -0.06 -0.10 -0.03 -0.03 0.04 -0.01 -0.03 -0.07 -0.01 -0.01 0.03 -0.00 0.00 0.08 0.01 0.03 0.03 0.07 -0.01 0.02 -0.19 0.11 -0.00 -0.19 0.09 -0.12 -0.20 0.10 -0.07 -0.08 0.13 -0.19 -0.27 0.04 -0.20 -0.15 0.14 0.10 -0.12 0.19 0.22 -0.23 0.19 0.08 -0.05 0.06 0.08 -0.22 0.09 -0.02 -0.25 0.08 0.06 -0.27 0.04 -0.10 -0.14 0.14 -0.06 0.00 -0.03 -0.11 0.05 -0.10 -0.05 -0.00 -0.05 -0.00 0.04 -0.14 -0.06 0.05 -0.14 -0.07 0.01 -0.05 -0.04 -0.03 0.02 0.01 -0.04 0.03 0.03 -0.01 -0.05 0.01 0.08 -0.21 -0.11 0.02 -0.06 -0.06 -0.07 0.09 0.07 -0.04 0.04 0.01 -0.07 0.00 -0.01 -0.08 -0.08 0.07 -0.15 -0.04 -0.05 -0.07 -0.12 0.14 -0.21 -0.05 -0.10 -0.04 -0.05 0.09 -0.14 0.01 -0.09 -0.18 0.04 -0.16 -0.05 0.06 0.02 0.02 0.03 -0.00 0.08 0.05 0.03 0.18 0.01 -0.02 0.24 0.06 -0.08 0.17 0.02 -0.02 0.22 -0.08 0.00 0.03 0.16 -0.03 0.09 0.19 -0.11 -0.00 0.17 -0.02 -0.04 0.20 -0.02 0.02 -0.02 0.15 -0.02 -0.00 0.17 0.08 -0.11 0.19 -0.05 -0.00 0.19 0.01 -0.07 0.17 0.07 -0.21 -0.09 0.01 -0.05 -0.02 0.03 -0.16 -0.08 0.02 -0.16 -0.07 -0.00 -0.06 -0.01 -0.02 0.03 0.04 -0.02 0.04 0.04 0.01 -0.04 -0.03 0.04 -0.24 -0.11 -0.00 -0.08 -0.00 -0.03 0.11 0.07 -0.02 0.04 0.05 -0.03 0.01 0.07 -0.05 -0.03 0.05 -0.05 -0.02 0.16 -0.06 -0.05 0.00 -0.05 -0.02 0.23 -0.04 -0.01 -0.00 -0.03 0.01 0.17 -0.03 0.03 0.25 -0.01 0.01 0.04 0.02 0.07 -0.04 0.00 -0.08 -0.01 -0.11 -0.03 0.06 -0.17 -0.09 0.10 -0.13 -0.04 0.07 -0.13 0.07 0.05 0.05 -0.20 0.04 -0.03 -0.27 0.05 0.13 -0.25 0.08 0.10 -0.16 0.04 0.08 0.00 -0.13 0.14 -0.02 -0.15 0.02 0.10 -0.17 0.16 -0.01 -0.17 -0.03 -0.01 -0.09 0.05 -0.24 -0.14 0.01 -0.01 0.02 0.02 0.00 0.02 0.02 0.02 0.01 0.01 0.02 0.00 0.00 0.01 -0.00 0.00 -0.01 0.01 0.01 -0.03 0.02 0.03 0.03 0.02 0.01 0.03 -0.00 -0.01 -0.02 0.00 -0.01 0.02 -0.01 -0.02 0.02 -0.04 -0.02 0.01 -0.02 -0.03 0.01 -0.04 -0.01 0.00 -0.01 -0.03 0.01 -0.05 -0.01 0.01 -0.03 -0.02 0.02 -0.05 -0.03 0.02 -0.05 -0.03 0.04 0.00 0.01 0.00 0.01 -0.01 -0.05 0.01 -0.16 -0.01 -0.12 -0.24 -0.11 -0.14 -0.16 0.11 -0.17 -0.20 -0.00 -0.16 -0.04 -0.12 -0.07 -0.11 -0.23 -0.23 0.11 -0.22 0.02 -0.12 0.04 -0.04 0.13 0.06 0.23 0.27 -0.03 0.29 0.17 0.08 0.28 0.06 0.24 0.29 -0.00 0.01 -0.02 0.03 -0.00 0.03 0.02 0.00 -0.00 0.02 0.02 0.01 0.02 0.02 0.00 0.02 0.01 -0.01 0.01 0.00 -0.01 0.02 -0.00 -0.01 0.02 -0.00 0.00 0.02 0.04 0.01 0.02 0.02 -0.01 0.01 -0.01 -0.02 0.02 0.00 -0.01 0.02 -0.00 0.01 0.03 -0.03 0.09 -0.02 -0.01 -0.08 0.05 -0.04 0.18 -0.06 -0.01 -0.18 0.05 -0.02 0.15 -0.03 0.00 -0.13 -0.07 0.01 -0.25 0.03 -0.01 -0.02 -0.02 0.01 -0.01 -0.01 -0.02 0.04 -0.06 -0.02 -0.10 -0.12 -0.03 0.09 0.17 0.01 -0.23 -0.26 -0.02 -0.28 0.07 -0.05 0.18 0.08 0.01 0.40 -0.03 0.03 0.08 0.21 -0.25 0.15 0.01 0.00 -0.06 -0.00 -0.02 0.05 -0.11 -0.00 -0.19 0.16 0.06 -0.14 0.08 -0.04 0.26 0.02 0.03 0.01 0.02 -0.00 0.06 0.14 0.02 0.04 0.17 0.07 -0.06 0.09 0.10 -0.14 -0.03 0.07 -0.13 -0.06 0.02 -0.04 -0.01 -0.05 0.14 0.27 0.10 -0.06 0.12 0.15 -0.22 -0.15 -0.00 -0.03 -0.06 0.08 -0.17 -0.07 0.06 -0.15 -0.05 0.00 0.03 -0.06 0.02 0.14 -0.04 -0.03 0.07 -0.05 0.01 0.28 -0.06 0.03 -0.15 -0.07 0.06 0.01 -0.07 0.09 0.07 -0.07 0.15 -0.14 -0.01 -0.05 0.01 0.02 -0.01 0.07 0.01 -0.01 0.09 0.01 -0.02 0.03 -0.05 0.01 0.11 0.05 0.00 0.13 0.07 -0.01 0.17 0.05 -0.02 0.20 0.06 -0.03 0.24 0.16 0.03 0.17 0.02 -0.01 0.00 0.00 -0.01 0.05 -0.04 -0.01 -0.07 0.10 0.00 -0.04 -0.06 0.03 -0.23 0.20 0.01 0.11 -0.12 -0.07 0.01 -0.13 -0.07 0.01 -0.14 -0.05 0.04 -0.14 -0.03 0.06 -0.12 -0.02 0.06 -0.12 -0.04 0.04 -0.11 -0.08 -0.01 -0.15 -0.05 0.04 -0.14 -0.01 0.07 -0.11 -0.04 0.04 -0.13 -0.02 0.04 -0.10 0.04 -0.01 -0.02 0.24 -0.02 0.07 0.16 -0.05 -0.02 0.35 -0.01 0.17 0.18 -0.08 -0.12 0.16 0.01 0.02 0.04 -0.05 0.07 -0.04 -0.07 -0.17 0.01 0.06 0.08 -0.04 -0.05 0.04 -0.00 0.08 0.03 -0.00 0.02 0.01 -0.01 0.06 0.10 0.01 -0.03 -0.03 -0.02 -0.04 0.08 0.01 0.18 0.07 0.00 0.22 0.06 0.00 0.22 0.16 0.02 0.17 0.04 0.00 0.04 0.02 -0.01 0.12 -0.03 -0.02 -0.04 0.12 0.05 0.00 -0.21 0.19 0.04 -0.12 -0.09 -0.00 -0.01 -0.02 0.03 0.02 -0.01 0.02 0.03 0.01 -0.01 0.00 0.03 -0.04 -0.03 0.02 -0.03 -0.04 -0.01 -0.00 -0.02 -0.04 0.05 0.07 0.02 -0.01 0.01 0.04 -0.06 -0.07 -0.02 0.00 -0.04 0.02 -0.05 -0.03 0.02 -0.01 0.05 0.06 0.25 0.04 0.04 0.13 0.08 0.07 0.39 0.07 0.05 0.14 0.01 0.04 0.16 -0.01 0.03 -0.03 -0.02 0.01 -0.13 -0.04 0.04 -0.04 0.02 -0.03 -0.00 -0.04 0.00 -0.07 -0.04 0.01 -0.05 -0.04 0.03 0.06 0.05 -0.04 -0.08 -0.10 0.03 -0.11 -0.08 0.00 -0.16 -0.14 -0.11 -0.43 0.07 -0.13 0.01 -0.20 0.29 -0.12 -0.05 -0.00 -0.10 -0.04 0.03 -0.24 0.02 0.07 -0.01 -0.13 -0.11 -0.07 -0.01 0.05 0.23 0.05 -0.02 0.04 0.01 0.00 -0.01 -0.00 0.01 -0.00 -0.01 0.00 0.01 0.00 -0.01 0.01 0.01 -0.01 0.01 0.02 -0.01 -0.00 0.01 0.00 -0.01 -0.02 0.00 0.01 -0.00 -0.02 0.02 0.03 -0.01 -0.00 0.01 -0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.02 -0.03 -0.01 -0.01 -0.05 -0.00 -0.02 -0.03 -0.02 -0.01 -0.07 0.01 -0.01 -0.00 -0.00 -0.01 -0.03 -0.01 -0.00 -0.04 0.01 -0.01 0.01 -0.00 0.01 0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.04 -0.01 -0.00 0.04 -0.03 -0.03 0.06 0.00 0.01 0.05 0.01 0.03 0.06 -0.13 -0.18 -0.37 0.21 -0.23 0.49 -0.03 0.61 0.12 -0.00 -0.00 -0.04 -0.01 -0.02 0.06 -0.08 -0.02 -0.12 0.10 0.06 -0.08 0.02 -0.02 0.01 -0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.02 0.01 0.00 0.01 0.01 0.01 0.02 0.01 0.00 0.02 0.00 0.00 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.01 0.02 -0.01 0.03 0.04 0.01 -0.00 -0.02 -0.04 0.05 0.06 -0.02 0.06 -0.03 0.00 -0.05 0.00 0.04 -0.02 -0.07 0.04 -0.13 -0.07 -0.08 -0.06 0.01 0.01 -0.00 -0.03 -0.11 0.53 -0.29 -0.21 -0.38 0.42 0.41 -0.15 -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 -0.01 -0.01 -0.03 -0.01 -0.00 0.00 -0.01 -0.01 -0.05 -0.01 -0.00 0.02 -0.01 -0.00 -0.03 -0.00 0.00 0.02 0.00 0.00 0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.03 0.04 -0.00 0.04 0.01 0.10 0.56 0.57 -0.21 -0.16 -0.36 0.06 -0.32 -0.03 -0.01 -0.03 -0.04 -0.03 -0.07 0.02 -0.02 -0.04 -0.08 0.00 -0.02 0.01 0.02 0.02 0.02 0.01 0.01 0.00 0.04 0.02 0.01 0.02 0.01 -0.00 -0.00 -0.04 0.00 -0.00 -0.00 -0.09 -0.07 0.06 -0.12 0.12 0.15 -0.05 -0.02 0.02 -0.00 -0.23 -0.14 -0.02 -0.23 -0.14 -0.05 -0.26 -0.09 -0.12 -0.02 0.11 -0.03 0.06 0.06 0.03 -0.30 -0.20 -0.07 -0.35 -0.13 -0.05 -0.06 -0.07 -0.02 -0.02 -0.13 0.02 -0.05 0.06 0.01 -0.04 0.07 0.04 -0.06 0.13 0.02 -0.05 0.16 -0.00 -0.03 -0.09 -0.01 -0.02 -0.07 -0.02 -0.01 -0.06 -0.08 0.07 -0.01 0.04 0.09 0.03 0.00 0.00 0.01 0.01 0.00 0.00 0.01 0.01 0.03 0.03 -0.01 -0.01 -0.01 0.00 -0.02 0.00 -0.00 0.01 0.01 0.02 0.05 -0.01 0.02 -0.04 0.01 -0.06 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.03 -0.10 -0.17 0.34 0.31 0.09 0.06 -0.06 -0.06 0.07 -0.03 -0.08 -0.06 0.05 0.04 -0.14 0.13 0.15 -0.08 0.13 0.20 -0.03 0.03 0.12 0.14 -0.15 -0.20 -0.08 0.07 0.02 -0.22 0.21 0.31 -0.00 0.01 0.02 0.07 0.05 -0.00 0.16 -0.14 -0.02 -0.02 0.10 -0.11 0.06 0.12 0.01 -0.12 0.20 -0.18 0.04 0.24 0.04 0.07 -0.09 -0.10 0.17 -0.06 -0.15 0.26 -0.03 -0.21 0.08 0.14 -0.01 -0.04 -0.02 0.01 0.00 0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.00 0.00 0.01 0.01 0.03 -0.01 0.02 -0.04 -0.00 -0.05 -0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.01 -0.01 0.00 -0.01 0.01 -0.02 -0.02 0.12 0.04 -0.10 -0.15 0.16 -0.07 0.00 -0.01 0.00 0.01 0.11 0.06 0.06 0.00 -0.04 0.06 -0.10 -0.13 0.00 -0.08 -0.11 0.01 -0.12 -0.10 -0.02 0.00 0.06 0.09 0.03 -0.03 0.09 -0.14 -0.19 -0.00 -0.18 -0.13 0.02 0.05 0.05 0.06 0.13 0.27 -0.10 0.03 -0.11 -0.16 0.08 -0.09 -0.14 -0.03 -0.29 -0.27 0.08 -0.25 0.04 0.07 0.18 -0.05 0.14 0.21 -0.09 0.21 0.20 0.16 -0.05 -0.04 0.01 -0.04 -0.02 -0.01 -0.00 -0.03 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.03 -0.01 0.02 0.02 0.01 0.02 -0.00 0.00 -0.01 -0.01 -0.01 -0.03 0.01 -0.01 0.03 0.01 0.05 -0.01 -0.00 0.00 0.01 0.01 -0.01 0.02 0.01 -0.01 0.02 -0.02 0.03 0.03 0.10 0.06 0.15 -0.02 0.25 0.17 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.01 -0.00 -0.03 -0.01 -0.00 -0.01 -0.01 -0.00 -0.04 -0.01 -0.00 -0.01 -0.00 -0.00 -0.01 0.00 0.00 0.01 0.00 0.00 0.03 0.01 -0.00 -0.00 0.00 -0.00 0.00 0.11 0.03 0.31 -0.01 0.03 -0.04 -0.08 -0.11 -0.23 -0.03 0.38 -0.18 -0.04 -0.13 -0.10 -0.05 -0.00 -0.04 -0.01 -0.02 -0.26 0.07 -0.01 -0.19 -0.43 -0.01 -0.01 0.01 -0.03 -0.06 -0.13 0.06 -0.15 -0.14 0.04 -0.20 0.24 -0.30 -0.22 -0.00 0.00 -0.04 0.00 0.00 0.00 -0.12 -0.06 0.10 -0.07 -0.14 0.05 -0.07 -0.02 0.02 -0.13 0.07 0.01 -0.10 0.02 -0.03 -0.16 0.01 0.08 -0.13 -0.07 0.12 -0.00 0.00 0.02 -0.15 0.13 0.03 -0.26 0.01 0.10 0.03 0.04 -0.03 0.20 0.16 -0.04 0.12 -0.14 -0.03 -0.03 -0.02 0.00 0.12 -0.31 -0.04 -0.20 -0.05 0.04 0.27 -0.01 -0.06 0.05 0.17 -0.01 -0.02 0.30 0.00 0.04 0.03 -0.04 0.00 -0.01 -0.00 -0.00 -0.00 -0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 0.01 0.00 0.01 0.00 0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 0.00 0.01 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 0.43 -0.06 -0.10 -0.01 -0.25 0.03 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -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 0.09 0.08 -0.03 -0.05 0.15 0.01 -0.17 0.02 0.11 -0.04 0.17 -0.00 -0.13 0.31 -0.04 0.13 -0.07 -0.05 -0.02 -0.19 -0.03 0.30 -0.15 -0.05 0.16 -0.07 -0.05 -0.12 -0.12 0.06 -0.43 -0.01 0.25 -0.10 -0.49 -0.02 -0.14 -0.12 0.07 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 -0.01 -0.00 -0.01 0.02 0.01 0.00 -0.01 -0.01 -0.00 0.02 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.08 -0.09 -0.03 -0.16 -0.01 0.06 -0.35 -0.20 0.25 -0.16 -0.01 0.05 -0.28 0.29 -0.02 0.03 0.18 -0.03 0.27 0.38 -0.04 -0.27 0.31 -0.01 -0.00 0.18 -0.03 0.10 -0.11 -0.01 0.09 -0.11 -0.02 0.09 -0.11 -0.02 0.10 -0.12 -0.02 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.06 -0.16 -0.09 0.00 -0.01 -0.00 -0.06 0.17 0.10 0.05 -0.17 -0.10 0.00 -0.01 -0.01 -0.06 0.17 0.10 0.12 -0.37 -0.21 -0.12 0.38 0.21 0.13 -0.38 -0.21 -0.13 0.39 0.22 -0.00 -0.00 -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 0.01 -0.00 0.01 -0.00 0.00 0.01 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.02 -0.01 0.01 -0.01 -0.00 0.00 -0.01 0.01 -0.00 -0.00 0.01 -0.00 0.01 0.02 0.00 -0.02 0.02 -0.00 -0.00 0.01 -0.00 0.01 -0.00 -0.00 0.01 -0.01 -0.01 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.00 -0.00 0.01 -0.02 -0.01 0.03 -0.14 -0.05 -0.07 0.16 0.12 0.03 -0.11 -0.07 -0.01 -0.03 -0.06 -0.10 0.28 0.12 -0.02 -0.03 -0.02 0.10 -0.37 -0.17 0.15 -0.31 -0.20 0.06 -0.24 -0.17 0.00 -0.22 -0.12 0.05 0.17 0.17 -0.00 -0.01 0.01 0.04 -0.02 0.01 0.05 -0.03 0.01 0.05 -0.00 0.03 0.06 -0.03 0.04 0.01 -0.03 -0.04 0.03 -0.02 -0.05 0.05 -0.05 -0.02 0.08 0.18 0.16 -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 0.03 -0.04 -0.03 -0.11 0.32 0.23 -0.03 0.06 0.02 0.11 -0.05 -0.05 0.04 0.07 0.05 -0.03 0.01 -0.06 -0.05 -0.14 -0.09 -0.08 0.01 -0.11 -0.13 0.14 0.21 0.02 0.23 0.13 -0.03 0.20 -0.09 -0.12 0.14 -0.04 0.18 0.01 0.45 0.01 -0.01 0.07 -0.00 0.01 0.05 0.00 0.01 0.06 0.01 0.01 0.13 0.04 0.01 0.15 -0.04 0.02 -0.12 -0.05 0.00 -0.13 -0.01 0.01 0.03 0.32 0.14 0.44 -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 0.01 -0.00 0.01 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 -0.03 0.01 -0.03 0.13 -0.09 -0.06 0.09 -0.01 0.16 -0.17 -0.19 0.11 -0.14 0.02 -0.03 -0.12 -0.00 -0.11 0.19 0.07 -0.16 0.12 -0.04 0.09 0.12 0.21 0.05 0.04 0.19 0.01 -0.20 -0.05 0.09 -0.11 -0.05 0.13 0.28 0.23 -0.08 -0.02 -0.05 0.00 -0.04 0.05 0.01 0.00 0.02 0.00 -0.04 0.11 0.01 0.08 0.03 -0.01 -0.07 0.00 0.02 -0.04 -0.06 0.00 -0.02 -0.08 0.04 0.44 0.27 -0.13 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 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 -0.15 0.02 -0.01 -0.19 -0.18 0.08 0.03 -0.00 0.00 0.00 0.01 0.02 -0.00 -0.02 0.02 -0.03 -0.00 -0.00 -0.01 0.01 -0.01 -0.00 0.02 -0.02 0.04 -0.04 -0.00 0.03 -0.04 0.00 -0.02 -0.01 -0.03 -0.01 -0.00 -0.03 0.02 -0.05 -0.01 0.01 -0.01 0.01 0.05 -0.00 0.26 -0.07 0.02 -0.24 0.13 -0.03 0.60 -0.15 0.03 -0.59 -0.04 0.02 -0.20 0.03 0.00 0.17 -0.00 0.01 0.07 0.06 -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.04 0.01 -0.09 -0.02 0.01 -0.01 0.28 0.04 0.03 0.07 0.02 0.11 -0.01 -0.17 0.24 -0.26 -0.04 -0.01 -0.09 0.05 -0.06 0.01 0.16 -0.22 0.28 -0.15 0.08 0.16 -0.24 0.17 -0.19 -0.03 -0.16 -0.08 0.03 -0.25 0.02 -0.17 -0.09 0.03 -0.00 0.03 -0.03 0.02 -0.04 -0.02 0.02 0.07 -0.04 -0.02 -0.07 0.01 0.02 0.19 0.01 0.03 0.01 -0.04 0.02 -0.06 -0.04 0.06 0.01 0.13 -0.30 -0.18 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.04 0.03 -0.15 0.06 -0.18 0.07 0.06 0.01 0.06 -0.04 -0.02 -0.00 -0.03 0.12 -0.05 -0.06 -0.00 -0.03 -0.05 -0.03 0.01 0.01 -0.10 -0.01 0.19 0.16 -0.06 0.14 0.21 -0.07 0.10 0.01 -0.04 0.12 -0.04 -0.16 0.27 0.05 -0.08 0.02 -0.12 0.05 -0.04 -0.02 0.06 -0.04 -0.06 0.03 0.02 -0.12 0.00 -0.04 -0.22 0.02 -0.07 0.09 0.08 -0.03 0.10 0.10 -0.10 -0.00 -0.40 0.55 0.24 -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 0.05 -0.08 -0.00 -0.04 0.05 -0.08 0.00 -0.02 -0.01 -0.00 0.01 0.00 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.01 -0.01 0.01 0.01 -0.02 0.03 0.02 -0.02 0.09 0.05 -0.02 0.06 0.03 0.00 -0.00 -0.01 -0.00 -0.00 -0.02 0.01 -0.00 0.05 -0.01 0.00 -0.03 -0.02 0.00 -0.11 -0.01 0.01 -0.08 0.01 -0.00 0.06 -0.02 -0.00 -0.07 0.21 -0.00 0.84 -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 -0.01 -0.00 0.00 -0.01 0.00 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.09 0.05 -0.42 -0.02 0.09 0.05 0.02 -0.07 -0.04 -0.02 0.03 0.02 0.02 -0.06 -0.05 -0.01 0.04 0.01 0.02 -0.04 -0.03 -0.02 0.04 0.02 -0.02 0.04 0.03 -0.01 0.06 0.02 -0.08 0.24 0.12 -0.08 0.22 0.13 0.05 -0.05 0.02 -0.01 -0.01 -0.11 -0.01 0.01 0.02 0.00 0.00 0.06 -0.09 0.00 -0.36 -0.10 0.02 -0.42 0.00 0.02 -0.01 -0.00 -0.00 0.04 -0.00 0.01 0.08 0.02 0.04 0.06 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.01 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 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.10 -0.03 0.58 -0.09 0.27 0.17 0.03 -0.07 -0.04 -0.01 0.02 0.01 0.02 -0.08 -0.04 -0.01 0.02 0.02 0.01 -0.04 -0.02 -0.01 0.03 0.02 -0.06 0.18 0.10 -0.07 0.18 0.11 -0.11 0.31 0.17 -0.09 0.31 0.17 -0.02 0.03 -0.02 0.01 0.00 0.07 -0.00 -0.00 -0.03 -0.01 -0.00 -0.04 0.08 -0.01 0.33 0.09 -0.02 0.37 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.05 -0.01 -0.24 0.00 -0.01 -0.04 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 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 -0.04 0.01 -0.25 -0.14 0.40 0.22 -0.00 0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.04 -0.02 0.01 -0.02 -0.02 0.01 -0.02 -0.01 0.01 -0.04 -0.02 0.01 -0.01 0.01 -0.01 -0.00 -0.05 -0.02 0.00 -0.07 -0.02 0.00 -0.07 0.09 -0.03 0.44 0.12 -0.01 0.46 0.01 0.01 0.00 0.00 -0.01 0.02 0.11 -0.00 0.44 -0.02 0.05 0.04 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.01 -0.00 0.01 0.02 0.00 -0.01 0.01 0.00 0.01 0.02 0.00 -0.01 -0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.00 -0.01 -0.00 0.00 0.01 -0.01 -0.00 0.01 -0.01 0.00 0.01 -0.01 0.00 0.01 -0.01 -0.00 0.12 -0.05 0.58 0.02 -0.04 -0.02 0.01 0.03 0.01 0.02 -0.08 -0.04 -0.01 0.01 0.02 0.03 -0.07 -0.03 -0.03 0.09 0.05 0.03 -0.06 -0.03 -0.08 0.33 0.16 -0.13 0.32 0.19 -0.01 0.03 0.04 0.01 0.02 0.02 -0.11 0.07 -0.06 0.02 0.01 0.18 0.03 -0.02 0.03 0.03 -0.02 0.05 -0.01 0.01 -0.12 -0.05 -0.02 -0.18 -0.03 -0.01 -0.13 -0.01 0.01 -0.10 0.11 -0.02 0.28 0.02 -0.22 -0.21 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.01 -0.00 0.01 0.01 0.00 -0.00 0.01 0.00 0.01 0.01 0.00 -0.01 -0.00 0.00 -0.01 -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 -0.00 0.01 -0.01 -0.00 0.14 -0.09 0.52 -0.08 0.20 0.09 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.01 -0.01 0.01 -0.04 -0.01 0.00 -0.04 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 0.00 0.01 0.00 -0.00 -0.00 -0.03 -0.01 -0.07 0.09 0.25 -0.04 0.12 0.30 -0.03 0.07 0.20 -0.02 0.10 0.32 -0.02 -0.24 -0.06 0.11 -0.26 -0.06 0.14 -0.30 -0.05 0.16 -0.18 -0.02 0.10 0.17 -0.19 -0.03 0.23 -0.23 -0.01 0.21 -0.25 -0.00 0.13 -0.15 -0.01 -0.02 0.01 -0.11 0.01 -0.01 -0.00 -0.06 -0.01 -0.04 0.00 0.13 0.02 0.02 -0.06 0.08 0.01 0.03 0.11 0.04 -0.17 -0.08 -0.06 0.06 0.02 0.04 -0.43 -0.19 0.02 -0.47 -0.11 0.02 0.03 0.09 -0.01 0.05 0.01 0.00 0.20 -0.10 0.01 0.00 0.15 0.01 -0.00 0.02 0.03 -0.01 0.02 0.00 0.05 -0.02 0.02 -0.01 -0.07 -0.04 -0.03 -0.07 -0.01 -0.01 -0.06 0.06 -0.05 0.12 0.23 0.20 -0.18 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.04 -0.07 0.23 0.12 -0.28 -0.23 -0.16 -0.01 -0.06 0.10 -0.00 -0.09 0.03 -0.06 0.16 0.06 -0.10 0.10 -0.06 0.10 0.08 -0.09 -0.05 -0.07 -0.30 0.12 0.23 -0.26 0.08 0.30 0.09 -0.08 0.06 -0.03 -0.01 -0.08 0.23 0.06 -0.13 0.02 -0.04 -0.11 -0.03 0.04 -0.01 -0.03 0.03 -0.01 -0.02 0.00 0.02 0.05 0.04 0.01 0.01 0.02 0.04 -0.03 -0.03 0.05 -0.10 0.02 -0.06 0.51 0.09 -0.23 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.08 0.06 -0.06 0.02 0.25 0.05 -0.00 0.01 0.01 -0.00 0.00 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.01 0.00 0.02 -0.06 -0.04 -0.02 0.06 0.03 -0.02 0.06 0.03 0.02 -0.06 -0.03 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.02 0.01 -0.13 0.03 0.00 0.12 0.16 -0.02 0.70 -0.16 0.02 -0.62 0.00 -0.01 0.02 -0.00 0.00 -0.01 0.02 -0.00 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 0.01 0.01 -0.00 0.01 -0.00 0.01 -0.00 -0.02 0.00 -0.11 0.00 -0.01 -0.00 0.02 -0.06 -0.04 0.00 -0.00 -0.00 -0.02 0.06 0.03 -0.02 0.06 0.03 0.00 -0.01 -0.00 0.02 -0.05 -0.03 -0.14 0.43 0.24 0.15 -0.42 -0.24 0.14 -0.41 -0.22 -0.12 0.38 0.21 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.02 0.00 -0.00 0.01 0.02 -0.00 0.10 -0.02 0.00 -0.08 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 0.05 -0.00 -0.03 -0.01 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.01 -0.00 -0.01 -0.00 -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 -0.01 0.02 0.02 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 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 0.01 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.02 -0.00 0.01 0.01 0.02 0.06 -0.01 -0.06 -0.13 0.12 0.31 -0.12 -0.10 -0.21 -0.07 -0.03 -0.00 -0.11 -0.09 0.02 0.28 -0.15 -0.09 0.30 0.61 0.12 -0.15 0.00 -0.02 0.05 0.02 0.02 -0.11 -0.15 0.16 -0.07 0.21 -0.17 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.01 -0.00 -0.00 0.01 0.00 -0.00 0.01 0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.02 -0.01 0.00 0.00 0.00 0.01 -0.02 0.00 0.05 0.01 0.08 -0.12 -0.25 -0.14 0.08 0.51 -0.15 -0.16 -0.12 -0.13 0.01 -0.02 0.01 0.10 0.05 -0.05 -0.08 0.02 0.00 -0.07 0.04 0.02 -0.05 -0.01 -0.09 0.22 -0.21 0.16 0.19 -0.03 0.16 -0.31 0.46 0.14 -0.00 -0.00 0.02 0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.00 0.02 0.01 0.00 0.00 -0.00 -0.01 -0.01 -0.02 0.00 -0.01 -0.00 -0.00 -0.01 -0.01 -0.00 -0.03 -0.01 0.02 0.00 -0.01 -0.04 0.08 0.03 -0.03 0.08 0.04 0.02 0.04 0.03 -0.07 -0.06 -0.02 0.30 0.01 -0.07 -0.04 0.30 0.01 0.31 -0.03 -0.11 -0.13 0.29 0.09 0.01 -0.20 -0.01 -0.17 -0.00 0.06 -0.08 -0.21 -0.02 -0.14 -0.58 -0.15 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 -0.04 0.01 0.01 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.02 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.01 -0.02 -0.02 0.01 -0.01 0.03 -0.04 -0.01 -0.16 -0.15 0.07 0.04 -0.09 -0.04 0.02 -0.00 0.00 0.00 -0.04 -0.02 -0.00 -0.00 -0.01 -0.00 0.04 0.03 -0.01 -0.01 -0.00 -0.00 0.04 0.03 0.02 0.04 0.00 -0.01 0.02 0.00 0.08 -0.22 -0.10 0.08 -0.22 -0.12 -0.03 -0.08 -0.05 0.03 -0.04 0.06 0.05 0.01 -0.01 -0.03 0.07 0.01 0.06 -0.10 -0.02 0.01 0.08 -0.01 0.03 -0.01 -0.02 -0.06 -0.03 -0.01 -0.04 -0.05 0.03 0.09 0.80 0.26 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 -0.00 0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.01 0.03 -0.01 -0.01 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.02 -0.02 0.00 0.00 0.01 0.01 -0.00 0.02 0.00 -0.05 0.02 0.02 -0.10 0.24 0.12 -0.01 0.00 -0.00 0.03 -0.07 -0.04 0.01 -0.01 -0.00 -0.04 0.08 0.04 0.03 -0.06 -0.04 -0.03 0.07 0.05 0.00 -0.05 -0.02 -0.01 0.05 0.03 0.13 -0.41 -0.21 0.13 -0.41 -0.23 0.02 0.05 0.03 -0.03 0.03 -0.02 -0.00 -0.01 -0.00 0.02 -0.02 -0.01 -0.01 0.12 0.01 -0.06 -0.04 0.02 -0.03 -0.03 0.01 0.03 0.03 0.00 0.05 0.01 -0.00 -0.04 -0.39 -0.13 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.03 -0.04 0.01 -0.02 0.01 0.01 -0.00 0.05 -0.01 -0.00 0.01 0.00 -0.05 -0.03 0.02 0.07 -0.01 -0.02 0.01 -0.03 -0.00 -0.01 -0.01 0.00 0.05 -0.03 -0.01 -0.02 0.05 0.01 0.02 0.02 -0.01 0.02 -0.05 0.01 -0.13 0.44 0.25 -0.00 0.00 0.00 -0.00 0.01 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.00 0.00 -0.01 -0.01 0.00 -0.01 -0.00 -0.00 0.02 0.01 -0.03 0.05 0.04 -0.02 0.06 0.04 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.02 -0.00 0.01 0.00 -0.00 0.00 0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.01 -0.01 0.01 0.01 -0.00 0.00 -0.00 -0.01 -0.01 0.00 0.07 -0.01 -0.03 -0.16 -0.25 0.12 -0.15 0.03 0.06 0.01 0.39 -0.03 -0.00 0.07 0.00 -0.28 -0.15 0.08 0.35 -0.05 -0.12 0.04 -0.16 -0.02 -0.06 -0.06 0.03 0.34 -0.23 -0.11 -0.18 0.40 0.03 0.15 0.11 -0.06 -0.00 0.01 -0.00 0.03 -0.07 -0.04 0.02 -0.00 0.01 -0.03 -0.00 0.02 -0.01 0.01 -0.01 0.04 -0.02 0.01 -0.02 0.02 0.01 0.00 -0.00 -0.02 0.02 0.05 0.01 -0.03 -0.01 -0.01 0.01 0.07 0.07 -0.02 0.06 0.02 0.00 -0.09 -0.01 -0.09 0.06 -0.01 0.05 -0.02 -0.01 0.02 -0.02 -0.01 0.03 0.44 -0.01 -0.48 -0.11 0.13 -0.10 -0.12 0.03 0.10 0.14 -0.01 0.16 0.05 -0.02 0.54 0.28 -0.05 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 0.00 -0.01 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.02 -0.01 -0.01 -0.01 0.02 0.00 0.01 0.01 -0.00 -0.02 -0.16 0.01 -0.02 -0.08 -0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.01 0.00 -0.01 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.01 0.03 0.01 0.01 -0.05 -0.02 -0.01 0.03 0.01 0.01 -0.04 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.08 -0.03 -0.02 0.12 -0.04 -0.04 -0.24 -0.42 0.14 -0.18 0.09 0.07 0.01 0.52 -0.06 -0.08 -0.08 0.01 0.08 0.07 0.04 -0.38 -0.01 0.20 0.00 0.11 0.02 -0.02 0.11 0.02 -0.30 0.25 0.01 -0.05 -0.04 -0.05 -0.05 -0.07 0.00 -0.00 -0.00 -0.00 -0.01 0.02 0.01 0.03 -0.02 0.00 -0.05 -0.05 0.03 -0.02 0.04 0.00 0.08 -0.02 0.02 -0.01 -0.01 0.00 -0.03 0.06 -0.05 -0.01 0.07 0.06 0.03 -0.18 -0.11 0.04 0.13 0.10 0.01 -0.11 -0.15 -0.01 0.01 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.06 -0.00 0.06 0.01 -0.01 0.01 0.01 -0.00 -0.01 -0.01 0.00 -0.02 -0.01 -0.00 0.02 -0.06 -0.03 0.00 -0.00 0.00 -0.03 -0.07 0.02 0.00 0.10 -0.03 0.11 0.24 0.00 0.03 -0.05 0.02 0.08 0.11 0.04 0.08 -0.09 -0.01 0.44 0.18 -0.21 -0.30 0.07 0.04 -0.09 0.16 0.03 -0.09 -0.02 0.04 0.21 -0.14 -0.10 -0.23 0.39 0.01 0.12 0.07 -0.05 0.00 0.01 -0.00 -0.09 0.04 0.07 -0.06 -0.04 -0.07 0.16 0.13 -0.11 0.02 -0.01 0.09 -0.23 -0.04 -0.14 0.03 0.03 -0.01 0.06 -0.08 0.25 -0.11 0.25 0.01 0.14 -0.12 -0.01 -0.27 0.20 -0.11 0.18 -0.27 0.13 0.03 -0.03 -0.02 -0.00 0.00 0.02 0.01 0.00 -0.00 -0.00 -0.01 0.00 0.00 0.14 -0.00 -0.14 -0.03 0.03 -0.02 -0.03 -0.00 0.02 0.03 -0.01 0.03 0.02 0.00 -0.17 0.12 0.12 -0.00 0.00 -0.00 -0.01 -0.04 0.01 -0.00 0.06 -0.02 0.07 0.15 0.00 0.02 -0.04 0.01 0.05 0.05 0.03 0.05 -0.05 -0.01 0.25 0.10 -0.12 -0.17 0.05 0.02 -0.05 0.09 0.01 -0.05 -0.01 0.02 0.12 -0.08 -0.05 -0.12 0.21 0.01 0.05 0.05 -0.02 -0.02 -0.03 0.01 0.19 0.07 -0.14 0.02 -0.06 -0.03 -0.01 -0.02 0.00 -0.03 0.08 0.04 0.05 -0.08 -0.03 0.00 -0.00 -0.00 -0.03 0.08 0.02 -0.10 0.31 0.18 0.12 -0.41 -0.23 -0.12 0.42 0.23 0.11 -0.39 -0.24 0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.00 0.01 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.03 -0.03 -0.00 0.00 0.00 0.00 0.00 0.03 -0.01 -0.01 -0.03 0.01 -0.03 -0.07 -0.01 -0.00 0.01 -0.01 -0.03 -0.07 -0.01 -0.03 0.04 0.00 -0.18 -0.08 0.07 0.15 -0.03 -0.04 0.04 -0.07 -0.01 0.03 -0.00 -0.02 -0.04 0.03 0.03 0.08 -0.13 -0.00 -0.03 -0.02 0.02 0.00 0.00 0.00 -0.03 0.05 0.04 -0.03 0.08 0.04 0.04 -0.07 -0.05 -0.02 0.06 0.04 -0.01 -0.03 -0.02 -0.00 0.01 0.00 0.02 -0.06 -0.01 0.15 -0.45 -0.26 0.12 -0.38 -0.21 -0.08 0.20 0.09 -0.08 0.27 0.18 -0.00 -0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.04 0.01 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.01 0.00 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.14 0.47 0.24 0.10 -0.00 0.04 0.04 0.05 -0.05 -0.03 0.02 -0.06 -0.02 -0.01 0.01 -0.07 -0.04 0.01 -0.00 -0.03 0.08 0.10 0.05 0.07 -0.17 -0.02 -0.05 -0.03 -0.02 0.01 -0.08 -0.13 0.07 -0.10 0.03 0.05 -0.03 0.01 -0.06 0.00 -0.02 -0.00 0.01 0.01 -0.00 0.01 -0.31 -0.01 0.20 0.05 -0.04 0.03 0.04 0.01 -0.01 -0.02 0.02 -0.00 -0.06 -0.02 0.77 -0.06 -0.31 0.00 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.00 0.01 -0.00 -0.01 -0.01 -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 -0.00 0.00 -0.00 0.00 -0.01 -0.01 0.00 -0.00 0.01 -0.01 -0.00 0.03 0.05 -0.04 -0.01 0.05 -0.15 0.09 -0.02 0.09 0.10 0.06 -0.05 -0.08 0.04 -0.12 -0.02 -0.03 0.05 0.01 0.00 0.01 -0.06 -0.01 -0.03 -0.02 -0.25 0.42 -0.42 -0.08 -0.11 -0.12 -0.19 0.31 -0.33 -0.09 -0.00 0.07 0.00 -0.03 0.02 -0.01 0.02 -0.00 0.02 0.00 -0.00 -0.01 0.00 -0.01 0.21 0.01 -0.06 -0.03 0.01 -0.01 -0.02 -0.01 -0.00 0.01 -0.00 -0.03 0.06 0.02 -0.35 0.02 0.12 -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 -0.01 0.00 0.01 0.01 0.01 0.00 -0.00 -0.00 0.01 0.01 0.00 -0.02 0.00 0.01 0.01 0.01 -0.00 -0.00 0.00 -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 -0.01 0.01 0.00 0.00 -0.03 0.01 0.15 0.06 -0.02 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.01 -0.02 0.01 0.00 0.00 0.01 0.01 -0.01 0.01 0.00 0.00 -0.01 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.03 -0.01 0.06 0.01 -0.01 0.01 -0.01 -0.00 -0.01 -0.00 0.00 -0.02 0.02 0.00 0.04 -0.01 -0.02 0.00 -0.00 -0.00 0.06 0.02 0.16 -0.03 -0.00 -0.09 0.07 0.19 0.17 -0.09 -0.38 0.11 0.17 0.18 0.13 -0.04 -0.01 -0.08 -0.07 0.03 0.24 -0.11 -0.09 0.25 0.37 0.09 -0.10 -0.02 -0.01 -0.09 0.15 -0.17 0.17 0.22 -0.09 0.15 -0.24 0.30 0.09 0.04 -0.02 -0.02 -0.01 0.00 -0.00 0.01 0.00 -0.00 -0.01 -0.00 -0.00 0.01 0.00 0.00 0.00 0.00 -0.01 -0.02 -0.00 0.01 0.00 -0.01 0.01 0.03 0.04 -0.05 0.04 0.01 0.00 0.02 0.04 -0.04 0.02 0.00 0.02 -0.01 -0.02 0.00 0.02 0.03 -0.01 -0.04 0.04 0.01 0.06 -0.04 -0.02 -0.05 0.54 0.03 0.56 0.06 -0.13 0.03 -0.09 -0.01 -0.10 0.02 0.03 -0.28 0.30 0.07 0.08 0.03 -0.01 -0.00 0.00 -0.00 -0.01 -0.00 -0.01 0.00 -0.00 0.01 -0.01 -0.02 -0.01 0.01 0.04 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.01 0.00 -0.00 -0.02 0.02 0.01 -0.03 -0.03 -0.01 0.01 0.00 0.00 0.01 -0.01 0.01 -0.02 -0.02 0.01 -0.01 0.02 -0.02 -0.01 0.31 -0.19 -0.08 -0.03 0.00 -0.02 -0.07 -0.02 -0.01 0.05 -0.01 0.05 0.00 0.04 -0.07 -0.10 -0.04 0.01 0.02 -0.02 0.05 0.05 0.06 -0.07 -0.14 -0.14 0.18 0.25 0.12 -0.10 -0.22 -0.21 0.30 0.44 0.19 -0.10 -0.03 0.00 -0.01 -0.02 0.01 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 -0.00 -0.09 -0.00 0.12 0.03 -0.03 -0.00 -0.01 0.00 -0.00 0.01 0.00 0.01 -0.01 0.00 0.20 0.05 -0.08 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -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 -0.02 0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.03 -0.02 -0.01 0.36 -0.11 0.41 0.01 0.01 -0.00 -0.00 -0.01 0.01 0.01 0.01 -0.02 -0.02 -0.00 0.00 -0.04 -0.04 0.03 0.01 0.00 0.01 0.03 0.04 -0.04 0.09 0.05 -0.03 -0.01 0.00 -0.02 0.13 0.03 -0.01 -0.05 0.05 0.01 0.07 -0.06 -0.03 0.09 0.04 -0.02 -0.02 -0.10 -0.00 0.09 0.58 0.01 -0.56 -0.22 0.14 0.05 0.09 -0.01 -0.08 -0.07 0.02 -0.22 0.15 0.04 0.12 -0.03 -0.09 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 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 -0.20 0.19 0.04 0.03 -0.01 0.05 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.02 -0.02 0.02 0.00 -0.00 0.00 0.02 0.01 -0.01 0.03 0.02 -0.01 0.01 0.01 -0.03 0.06 0.02 -0.00 -0.01 0.02 0.00 0.01 -0.01 -0.01 -0.10 0.08 0.03 -0.09 0.08 0.03 -0.13 0.32 0.03 -0.27 0.06 0.07 0.09 -0.03 -0.02 0.04 -0.08 -0.01 0.30 -0.51 -0.08 0.04 -0.02 -0.04 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.00 0.02 -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 -0.00 0.01 -0.01 -0.01 0.00 -0.00 -0.00 0.00 0.00 0.57 -0.20 -0.13 0.01 -0.01 0.01 0.02 0.03 -0.04 0.04 -0.01 0.05 -0.04 -0.02 0.00 -0.00 0.01 -0.01 -0.01 -0.00 0.00 -0.01 -0.00 -0.01 0.15 0.28 -0.40 -0.44 -0.16 0.03 0.04 0.08 -0.13 -0.15 -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 -0.01 -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 0.44 -0.14 0.50 0.03 0.03 -0.03 0.01 0.00 -0.00 0.04 0.03 -0.02 -0.02 -0.03 0.05 -0.04 -0.03 0.04 -0.06 -0.02 0.00 0.17 0.28 -0.39 0.53 0.21 -0.06 -0.14 -0.23 0.35 -0.41 -0.15 0.03 0.04 0.02 -0.02 0.01 -0.00 0.00 -0.01 0.00 0.00 -0.00 0.01 0.00 -0.01 -0.03 0.00 0.01 0.01 -0.00 -0.01 -0.01 0.00 0.01 0.01 -0.00 0.01 0.02 0.00 -0.05 0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -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 -0.04 -0.00 0.01 -0.00 0.01 -0.01 -0.09 -0.02 -0.02 0.01 0.01 -0.01 0.01 -0.04 0.08 0.02 -0.00 0.02 0.19 0.14 -0.16 0.01 0.02 -0.02 -0.10 -0.02 -0.02 -0.07 -0.08 0.09 -0.15 -0.32 0.50 -0.53 -0.18 0.00 -0.15 -0.07 0.09 -0.04 0.02 -0.01 0.03 -0.00 -0.01 0.01 -0.03 -0.00 0.04 0.14 -0.00 -0.08 -0.05 0.02 0.04 0.05 -0.00 -0.05 -0.04 0.01 -0.00 -0.13 -0.01 0.20 -0.03 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.02 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.21 -0.00 -0.06 0.05 -0.00 0.04 -0.02 -0.01 0.00 -0.00 0.00 -0.00 0.01 -0.01 0.02 0.01 0.01 -0.00 0.03 0.03 -0.05 0.02 0.01 0.00 -0.02 -0.02 0.01 -0.06 -0.03 0.02 -0.03 -0.08 0.11 -0.02 -0.02 -0.00 -0.13 0.05 0.06 0.17 -0.19 -0.06 -0.12 0.10 0.03 -0.10 0.10 0.03 -0.14 -0.05 0.03 -0.04 0.14 0.01 0.02 -0.15 -0.01 0.15 0.03 -0.03 -0.20 0.66 0.06 0.13 -0.05 -0.07 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 0.00 0.00 0.01 0.01 -0.02 0.01 -0.01 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.01 -0.00 0.01 -0.01 -0.00 0.02 -0.02 -0.02 0.00 -0.00 0.00 0.00 -0.01 0.00 -0.00 -0.01 0.02 -0.00 -0.00 0.01 0.00 -0.47 0.00 0.11 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 -0.01 0.00 -0.00 -0.00 -0.00 0.00 0.01 0.01 -0.01 -0.02 -0.01 0.00 -0.00 0.00 0.01 0.02 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.01 -0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.00 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.02 -0.00 -0.01 0.00 0.00 0.00 -0.00 0.00 0.23 -0.17 -0.07 -0.08 0.05 0.02 0.13 0.23 -0.15 0.27 -0.02 -0.13 0.08 -0.11 0.13 -0.05 0.06 0.02 -0.34 -0.17 0.11 -0.01 -0.04 0.18 -0.16 -0.25 0.00 -0.05 0.02 0.00 -0.28 0.16 -0.02 -0.17 0.38 -0.02 -0.14 0.30 0.10 0.01 0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.01 0.00 -0.00 0.00 0.00 -0.01 -0.02 -0.01 0.00 -0.00 -0.00 0.00 0.01 0.01 -0.00 0.00 -0.01 -0.00 -0.01 -0.00 0.00 -0.00 0.06 0.00 0.04 0.01 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.03 -0.06 -0.01 0.01 -0.00 -0.00 -0.00 -0.00 0.00 0.15 0.23 -0.08 -0.04 -0.04 0.01 -0.19 -0.25 0.01 0.02 -0.30 0.08 0.00 -0.41 0.01 -0.01 -0.07 0.02 -0.08 -0.08 0.15 -0.39 0.08 0.09 -0.29 0.18 0.07 -0.05 -0.07 0.03 0.21 -0.14 -0.16 -0.01 0.12 0.11 0.25 0.12 -0.10 -0.05 0.02 0.02 0.00 -0.00 0.00 0.00 -0.01 0.01 -0.00 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 0.01 -0.02 0.00 -0.02 0.00 -0.00 0.01 0.02 0.03 -0.04 -0.03 -0.01 0.00 -0.01 -0.04 0.05 0.09 0.03 -0.00 0.02 0.00 -0.01 -0.10 -0.10 0.02 -0.00 0.09 0.00 0.10 0.00 -0.02 0.02 -0.42 -0.02 -0.39 -0.09 0.09 0.00 0.01 0.00 -0.01 0.01 0.00 -0.25 0.41 0.07 -0.05 0.00 0.02 0.00 0.00 0.00 0.01 0.02 -0.01 -0.00 -0.00 -0.00 -0.02 -0.02 0.01 0.00 -0.02 0.00 0.01 -0.04 0.01 -0.00 -0.01 0.00 -0.00 -0.00 0.01 -0.03 0.01 0.00 -0.01 0.01 0.01 -0.00 -0.01 0.00 0.01 -0.01 -0.01 0.00 0.01 0.01 0.02 0.01 -0.01 0.55 -0.17 -0.13 -0.01 0.00 -0.01 -0.00 -0.05 0.08 -0.01 0.01 -0.02 0.09 0.03 0.01 0.02 -0.02 0.04 -0.14 0.04 -0.15 0.03 -0.01 0.03 0.14 0.22 -0.30 -0.33 -0.13 0.03 -0.13 -0.27 0.42 0.52 0.18 0.00 0.03 -0.01 0.01 0.01 0.02 -0.00 0.00 -0.02 -0.00 -0.01 -0.00 0.00 0.00 0.08 0.00 0.08 0.01 -0.02 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.06 -0.09 -0.01 -0.13 -0.04 0.05 0.00 0.00 0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 -0.01 0.01 -0.01 0.01 0.01 0.00 0.00 -0.00 -0.00 0.01 -0.01 0.00 0.00 -0.01 0.00 0.01 -0.01 -0.00 -0.08 0.03 0.02 -0.08 0.03 -0.09 -0.03 -0.06 0.09 -0.13 0.04 -0.15 0.11 0.04 -0.01 -0.07 -0.11 0.16 -0.09 0.02 -0.08 0.20 0.07 -0.01 -0.05 -0.09 0.13 0.15 0.06 -0.02 0.16 0.29 -0.43 -0.48 -0.17 0.04 0.01 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.01 -0.05 -0.02 0.02 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.01 0.02 0.02 -0.02 0.02 -0.03 -0.01 -0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.01 0.00 -0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 0.30 -0.09 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 -0.01 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.07 0.07 0.02 0.00 -0.07 -0.01 0.11 0.12 0.13 -0.08 0.21 -0.06 0.02 0.17 0.03 0.06 -0.01 -0.04 -0.04 -0.04 0.21 -0.12 0.01 0.11 -0.25 0.09 0.01 0.11 -0.11 0.01 -0.35 0.19 -0.23 -0.24 0.25 -0.24 -0.25 0.41 0.26 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 -0.01 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.06 0.06 -0.03 -0.06 -0.10 -0.00 0.17 0.21 0.10 0.14 0.29 -0.23 0.15 0.24 0.22 -0.10 -0.04 0.07 0.15 0.09 -0.30 0.12 0.06 -0.41 0.46 0.19 0.02 -0.01 -0.03 0.01 -0.03 0.01 -0.09 0.01 0.06 0.05 0.08 0.13 -0.02 -0.01 0.00 -0.00 0.01 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.02 -0.04 -0.09 0.00 0.21 0.24 0.10 0.09 0.37 -0.23 0.11 0.30 0.18 0.06 0.01 -0.04 -0.13 -0.09 0.23 -0.14 -0.01 0.24 -0.36 -0.06 0.01 -0.05 0.05 0.00 0.23 -0.12 0.08 0.13 -0.19 0.11 0.16 -0.24 -0.15 0.01 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.00 -0.02 0.03 -0.00 -0.18 -0.19 -0.04 0.31 -0.07 -0.14 0.24 0.01 0.23 -0.01 -0.02 -0.01 0.02 0.07 0.31 0.15 -0.01 -0.20 -0.09 0.33 0.04 0.02 0.03 0.01 0.25 -0.10 0.00 -0.26 -0.11 -0.31 -0.32 -0.17 0.15 0.01 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 0.02 0.00 0.02 -0.01 -0.00 -0.01 -0.03 -0.00 -0.04 -0.02 0.01 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.02 -0.05 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 0.00 -0.01 0.01 0.05 0.00 -0.14 0.03 -0.05 0.01 -0.07 0.10 -0.05 0.04 -0.02 0.01 -0.21 -0.21 0.09 -0.18 0.19 -0.27 0.03 0.29 0.03 0.02 -0.02 -0.05 -0.19 -0.06 0.53 0.07 0.43 0.14 -0.05 -0.28 -0.03 -0.05 0.01 0.01 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.00 0.00 0.01 0.00 -0.01 -0.01 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.02 -0.03 -0.01 -0.03 0.01 0.01 0.02 0.05 -0.00 0.04 0.03 -0.01 -0.03 0.02 0.01 0.02 -0.02 -0.01 -0.04 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.03 -0.01 0.01 0.00 0.03 -0.04 -0.19 -0.09 0.39 0.01 0.14 -0.08 0.28 -0.24 0.19 0.05 0.02 0.02 -0.26 -0.33 -0.35 -0.37 0.23 -0.03 0.19 -0.16 -0.02 0.01 0.01 -0.00 0.04 -0.01 0.02 -0.06 -0.03 -0.08 -0.09 -0.05 0.04 0.08 -0.02 -0.02 0.01 -0.00 0.01 -0.01 -0.01 0.00 0.00 -0.00 0.01 0.01 0.01 -0.00 -0.01 0.00 -0.01 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.00 0.01 -0.02 -0.05 -0.02 0.00 -0.01 -0.00 0.00 -0.03 -0.01 -0.00 -0.01 -0.01 0.00 0.02 0.01 -0.00 -0.11 0.14 0.03 0.15 -0.07 -0.04 -0.11 -0.28 0.02 -0.24 -0.16 0.05 0.11 -0.10 -0.03 -0.12 0.09 0.03 0.19 -0.45 -0.05 0.01 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.05 -0.01 0.16 -0.02 0.07 -0.03 0.09 -0.09 0.06 0.02 0.01 0.01 -0.09 -0.12 -0.14 -0.13 0.07 0.02 0.07 -0.10 -0.01 -0.00 0.02 0.02 0.12 -0.00 -0.16 -0.07 -0.17 -0.11 -0.05 0.05 0.04 -0.47 0.09 0.10 -0.03 0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.01 -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 0.01 0.00 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 -0.01 -0.02 -0.00 -0.01 -0.01 0.00 0.00 -0.01 -0.00 -0.01 0.01 0.00 0.02 -0.03 -0.01 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.03 -0.01 -0.02 -0.00 0.03 -0.04 -0.23 -0.13 0.38 0.06 0.13 -0.10 0.31 -0.24 0.22 -0.02 -0.00 -0.02 0.21 0.23 0.15 0.25 -0.17 0.10 -0.13 -0.02 0.00 0.00 -0.03 -0.02 -0.27 0.06 0.20 0.19 0.24 0.24 0.18 -0.00 -0.10 -0.04 0.01 0.00 -0.01 0.00 -0.02 -0.01 -0.01 0.01 0.01 -0.00 0.01 0.01 0.01 -0.01 -0.01 -0.00 -0.00 0.01 -0.00 0.01 0.00 0.01 -0.01 0.00 0.02 -0.04 -0.05 -0.01 -0.01 -0.01 0.01 -0.02 -0.02 -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 0.01 -0.01 -0.00 -0.01 0.00 0.00 -0.01 -0.00 0.00 0.00 -0.01 -0.00 -0.02 0.02 0.01 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.01 -0.08 0.01 0.02 0.03 -0.02 0.05 0.15 0.25 -0.27 0.12 0.10 -0.06 -0.21 -0.11 0.02 -0.02 -0.00 -0.19 -0.11 0.34 0.03 0.13 -0.37 -0.04 0.45 0.04 -0.03 0.02 0.02 -0.03 0.10 -0.24 0.12 -0.21 0.09 0.18 0.19 -0.07 0.02 -0.01 -0.01 -0.04 0.01 -0.04 0.11 0.08 -0.08 -0.07 0.02 -0.08 -0.12 -0.08 0.07 0.11 0.04 -0.00 -0.09 0.03 -0.11 -0.04 -0.06 0.09 -0.04 -0.22 0.37 0.42 0.11 0.06 0.06 -0.08 0.18 0.21 0.02 0.09 0.02 -0.01 0.01 -0.01 -0.01 0.00 -0.01 0.00 0.00 0.01 -0.01 -0.00 -0.01 0.01 0.00 0.01 -0.01 -0.00 0.02 -0.00 -0.00 -0.01 0.02 0.00 0.03 -0.05 -0.02 -0.07 -0.02 0.03 0.00 0.00 0.00 -0.00 -0.02 0.00 0.00 0.01 -0.01 -0.01 0.01 0.06 -0.03 0.03 0.01 0.01 -0.04 -0.00 0.01 -0.00 -0.00 -0.04 -0.02 0.09 0.01 0.02 -0.07 -0.02 0.10 0.01 -0.01 0.00 0.00 -0.03 0.03 -0.05 0.04 -0.04 0.04 0.06 0.05 -0.02 -0.05 0.02 0.01 0.38 -0.12 0.43 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.07 -0.02 0.03 -0.01 0.02 0.02 -0.14 -0.25 -0.35 0.42 -0.21 -0.13 0.14 0.27 0.17 0.04 0.01 -0.01 -0.10 -0.12 -0.01 -0.10 0.09 -0.06 0.02 0.05 -0.00 -0.01 -0.02 0.00 -0.18 0.14 -0.24 0.22 -0.15 0.20 0.28 0.28 -0.11 -0.00 0.00 0.01 -0.01 0.00 -0.01 0.02 0.01 -0.00 -0.01 0.01 -0.02 -0.01 -0.01 0.01 0.01 0.00 -0.00 -0.02 0.02 -0.02 -0.01 -0.01 0.01 0.00 -0.02 0.04 0.05 0.01 0.01 0.00 -0.01 0.03 0.05 0.01 0.01 -0.02 -0.03 0.01 0.28 0.37 -0.06 -0.01 0.10 0.01 0.09 0.03 -0.02 0.00 -0.44 -0.02 -0.46 -0.08 0.11 -0.22 -0.11 0.04 -0.03 -0.26 0.00 -0.28 0.14 0.06 0.04 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.03 -0.06 0.04 -0.03 -0.01 -0.00 0.03 0.01 -0.00 0.00 0.00 0.04 0.03 -0.06 0.01 -0.03 0.06 0.00 -0.08 -0.01 0.00 -0.00 -0.00 0.01 -0.01 0.01 -0.00 0.01 -0.00 -0.01 -0.01 0.00 0.09 -0.23 -0.01 0.06 -0.01 0.06 0.01 0.08 -0.14 -0.08 -0.05 0.05 0.15 0.03 0.03 -0.01 0.06 -0.12 -0.11 -0.08 0.07 0.13 0.02 0.04 -0.18 -0.25 0.34 -0.41 -0.18 0.08 -0.21 -0.26 0.36 -0.39 -0.18 0.09 0.03 0.01 -0.02 0.01 -0.00 -0.00 0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.01 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 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.02 0.02 0.01 0.02 -0.01 0.01 -0.01 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.03 -0.01 -0.01 -0.08 -0.07 0.08 -0.00 0.00 -0.01 -0.00 -0.00 0.00 0.01 0.00 -0.00 -0.00 0.00 -0.01 -0.01 -0.00 0.01 0.01 0.00 0.00 -0.01 -0.01 0.02 -0.02 -0.01 0.00 -0.01 -0.01 0.01 -0.02 -0.01 0.01 0.06 -0.04 -0.02 -0.28 0.21 0.07 0.11 0.29 -0.02 -0.25 -0.18 0.05 0.17 -0.24 -0.06 0.27 -0.12 -0.07 0.19 -0.10 -0.05 0.13 -0.15 -0.04 -0.18 0.39 0.06 0.02 -0.03 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.01 -0.00 0.02 0.01 0.01 -0.01 0.02 -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 -0.01 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 -0.00 -0.00 -0.00 -0.00 -0.01 0.00 -0.43 0.11 0.12 -0.01 -0.00 0.00 -0.08 0.08 -0.18 0.23 -0.07 0.27 -0.17 0.01 -0.12 0.03 -0.08 0.17 -0.17 0.05 -0.18 0.19 0.02 0.08 -0.21 -0.10 0.06 0.09 0.12 -0.16 0.17 0.14 -0.16 -0.21 -0.13 0.11 0.02 -0.01 0.01 -0.06 0.05 0.02 -0.06 -0.09 0.01 0.07 0.08 -0.01 -0.10 0.13 0.03 -0.14 0.06 0.04 0.06 -0.00 -0.01 0.01 -0.06 -0.01 -0.12 0.15 0.03 -0.06 -0.02 0.03 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.01 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.01 -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.19 0.09 0.04 -0.30 0.09 -0.33 -0.03 0.02 -0.05 0.07 -0.02 0.08 -0.05 0.00 -0.03 0.01 -0.02 0.05 -0.05 0.02 -0.06 0.05 0.01 0.02 -0.06 -0.03 0.01 0.03 0.04 -0.05 0.05 0.04 -0.05 -0.06 -0.04 0.03 -0.02 0.01 0.01 0.16 -0.10 -0.04 0.14 0.21 -0.03 -0.16 -0.19 0.03 0.21 -0.30 -0.06 0.32 -0.15 -0.08 -0.15 -0.00 0.04 -0.03 0.14 0.01 0.27 -0.37 -0.07 -0.01 -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.01 0.00 -0.01 0.00 -0.01 0.00 -0.00 0.00 -0.01 -0.01 -0.01 -0.01 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.01 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.42 -0.21 -0.10 -0.09 0.03 -0.10 -0.15 -0.17 0.21 0.11 0.08 -0.08 -0.27 -0.14 0.09 0.17 0.17 -0.21 -0.15 -0.10 0.10 0.27 0.14 -0.08 0.02 0.17 -0.30 0.34 0.08 0.06 -0.02 -0.18 0.33 -0.33 -0.07 -0.06 0.02 0.01 -0.02 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.01 0.01 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 0.01 -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 0.13 0.09 -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 -0.03 0.03 -0.08 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.32 -0.35 0.88 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.03 -0.03 -0.03 -0.21 0.16 -0.06 0.34 0.24 0.64 0.19 0.02 -0.23 -0.01 -0.00 0.01 0.05 -0.06 0.02 0.04 0.08 0.04 -0.02 0.02 -0.23 0.02 -0.01 0.02 0.07 0.12 0.04 -0.09 -0.03 0.10 -0.18 0.05 -0.33 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.03 -0.02 0.01 -0.05 -0.04 -0.09 -0.03 -0.00 0.03 0.01 0.01 -0.04 -0.14 0.17 -0.05 -0.11 -0.22 -0.10 0.07 -0.05 0.62 0.03 -0.02 0.03 0.10 0.19 0.06 -0.14 -0.04 0.15 -0.28 0.08 -0.53 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.01 -0.02 -0.02 -0.11 0.09 -0.03 0.19 0.14 0.37 0.10 0.01 -0.12 0.01 0.01 -0.04 -0.13 0.14 -0.04 -0.09 -0.19 -0.08 0.06 -0.05 0.57 -0.02 0.02 -0.02 -0.08 -0.15 -0.05 0.12 0.03 -0.13 0.25 -0.07 0.46 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -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 -0.06 0.02 0.03 0.03 0.06 -0.10 -0.01 0.11 -0.05 -0.03 -0.06 0.25 -0.30 0.05 0.31 0.68 0.25 0.03 -0.05 0.42 0.00 -0.00 -0.00 0.01 0.03 0.01 -0.02 -0.00 0.02 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -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 -0.08 0.37 -0.30 0.07 0.20 0.14 0.35 -0.50 -0.06 0.53 0.01 0.01 0.01 -0.05 0.06 -0.01 -0.06 -0.13 -0.05 -0.01 0.01 -0.09 -0.00 -0.00 -0.00 0.01 0.03 0.01 -0.01 -0.00 0.01 0.00 -0.00 0.01 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.01 0.01 -0.00 -0.01 -0.01 -0.02 0.02 0.00 -0.02 0.00 0.00 0.00 -0.00 0.01 -0.00 -0.01 -0.02 -0.01 -0.00 0.00 -0.02 -0.00 -0.03 -0.08 0.30 0.58 0.14 -0.43 -0.12 0.40 0.20 -0.07 0.36 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 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 -0.17 0.14 -0.04 -0.00 -0.01 -0.02 -0.10 -0.01 0.11 -0.00 0.01 -0.00 0.07 -0.08 0.02 -0.02 -0.04 -0.02 0.00 0.00 0.01 -0.06 -0.06 0.03 0.28 0.56 0.16 0.49 0.13 -0.48 -0.02 -0.01 -0.01 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.08 0.03 0.02 0.58 -0.47 0.14 0.01 0.02 0.05 0.36 0.05 -0.40 0.01 -0.02 0.00 -0.12 0.15 -0.03 0.04 0.09 0.04 -0.00 -0.00 -0.02 -0.02 -0.02 0.01 0.09 0.17 0.05 0.15 0.04 -0.15 -0.01 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.01 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 0.02 -0.01 -0.00 -0.15 0.13 -0.04 -0.00 -0.01 -0.01 -0.09 -0.01 0.10 0.03 -0.08 0.01 -0.54 0.62 -0.14 0.19 0.39 0.16 -0.01 -0.01 -0.10 -0.00 -0.00 0.00 0.01 0.03 0.01 0.02 0.01 -0.02 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.01 -0.00 -0.00 0.01 0.01 -0.01 0.01 -0.02 0.03 -0.07 -0.01 -0.03 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.13 0.01 0.06 -0.10 0.19 -0.40 0.76 0.08 0.35 -0.02 0.04 -0.07 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -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 -0.15 -0.11 0.10 0.04 0.00 0.02 -0.02 -0.01 0.01 0.00 0.00 -0.01 -0.02 -0.00 -0.01 0.00 0.00 0.00 -0.01 0.02 -0.05 -0.52 -0.04 -0.23 0.02 -0.04 0.08 0.27 0.03 0.12 0.14 -0.28 0.58 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.25 0.18 -0.17 -0.00 -0.00 0.00 0.03 0.03 -0.03 0.01 -0.02 0.04 0.03 0.00 0.01 0.00 0.00 -0.00 -0.01 0.02 -0.04 0.01 0.00 0.00 -0.10 0.20 -0.43 -0.32 -0.03 -0.15 0.12 -0.23 0.48 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.41 -0.30 0.28 -0.05 -0.01 -0.02 0.02 0.01 -0.01 -0.01 0.02 -0.05 -0.02 -0.00 -0.01 0.00 -0.00 0.00 -0.01 0.02 -0.03 0.53 0.05 0.23 0.13 -0.25 0.54 0.20 0.02 0.09 0.09 -0.19 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 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.16 -0.11 0.10 -0.05 -0.00 -0.02 -0.04 -0.03 0.03 0.01 -0.02 0.03 0.01 0.00 0.00 0.00 0.00 -0.00 -0.00 0.01 -0.02 0.51 0.04 0.22 -0.09 0.17 -0.36 -0.12 -0.01 -0.05 0.05 -0.10 0.21 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.47 0.34 -0.32 0.00 0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 -0.05 -0.00 0.01 0.01 -0.07 -0.01 0.62 0.03 -0.14 -0.13 0.75 0.06 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.01 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.07 -0.01 0.02 -0.01 0.06 0.00 0.75 0.04 -0.16 0.11 -0.62 -0.04 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.01 0.01 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.01 -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 0.01 -0.00 -0.00 0.00 -0.00 -0.00 -0.02 -0.07 -0.00 -0.00 -0.00 0.00 0.06 0.04 -0.02 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 -0.00 0.00 -0.00 0.33 0.94 0.03 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 -0.00 0.00 0.00 -0.00 0.01 0.00 0.00 0.01 -0.00 -0.06 -0.04 0.02 0.82 0.52 -0.21 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 0.00 0.00 -0.00 -0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 0.00 -0.00 0.00 -0.00 -0.00 0.00 -0.00 -0.00 -0.00 -0.00 0.00 -0.00 0.00 -0.02 -0.07 -0.00 0.00 0.00 -0.00 6 6 6 6 6 6 1 1 1 1 5 6 6 6 1 1 7 7 1 1 53 6 6 1 1 1 6 1 1 1 6 1 1 1 1 1 298.150 1.00000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 6 6 6 6 6 6 1 1 1 1 5 6 6 6 1 1 7 7 1 1 53 6 6 1 1 1 6 1 1 1 6 1 1 1 1 1 12.00000 12.00000 12.00000 12.00000 12.00000 12.00000 1.00783 1.00783 1.00783 1.00783 11.00931 12.00000 12.00000 12.00000 1.00783 1.00783 14.00307 14.00307 1.00783 1.00783 126.90040 12.00000 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 12.00000 1.00783 1.00783 1.00783 1.00783 1.00783 341.06453 4889.45781 7493.17199 9841.48221 0.99992 0.00378 0.01197 -0.00354 0.99978 -0.02059 -0.01204 0.02055 0.99972 asymmetric 1 0.01771 0.01156 0.00880 0.36911 0.24085 0.18338 786454.0 26.61 41.27 54.70 74.60 82.96 91.91 96.57 111.94 139.34 142.55 175.67 186.55 207.93 235.22 283.75 322.14 352.22 404.83 429.41 557.15 579.08 599.34 696.66 789.93 848.89 911.86 918.36 932.60 1033.12 1050.97 1053.02 1081.09 1101.87 1125.47 1152.43 1157.78 1270.18 1274.74 1336.42 1338.49 1350.72 1365.58 1382.72 1394.22 1426.79 1454.13 1461.93 1467.45 1469.83 1493.95 1510.88 1535.49 1558.43 1575.66 1596.94 1644.83 1673.71 1691.09 1732.72 1747.38 1844.77 1882.07 1883.38 1894.04 1909.28 1960.50 2006.57 2007.22 2028.31 2084.38 2085.85 2092.46 2099.21 2115.23 2124.73 2126.39 2127.48 2169.10 2207.58 2262.97 2386.35 2390.06 2428.21 3626.49 4281.63 4283.92 4294.36 4407.27 4408.65 4415.16 4491.21 4494.90 4501.43 4580.52 4592.21 4604.68 4616.88 4632.82 4762.93 4791.57 5213.40 5257.13 0.299545 0.319258 0.320202 0.246053 -938.013660 -937.993947 -937.993003 -938.067152 200.337 69.183 156.059 0.000 0.000 1.377 0.889 2.981 43.375 0.889 2.981 34.244 198.560 63.222 77.062 1 0.593 1.986 6.790 2 0.593 1.984 5.918 3 0.594 1.982 5.360 4 0.596 1.977 4.745 5 0.596 1.974 4.536 6 0.597 1.972 4.334 7 0.598 1.970 4.236 8 0.599 1.964 3.946 9 0.603 1.951 3.517 10 0.604 1.950 3.472 11 0.610 1.931 3.067 12 0.612 1.924 2.951 13 0.616 1.909 2.743 14 0.623 1.887 2.509 15 0.637 1.844 2.159 16 0.649 1.805 1.927 17 0.660 1.771 1.768 18 0.681 1.708 1.525 19 0.692 1.677 1.426 20 0.756 1.497 1.011 21 0.768 1.465 0.954 22 0.780 1.434 0.904 23 0.840 1.285 0.699 24 0.904 1.142 0.546 25 0.947 1.053 0.467 0.402030e+25 24.604258 56.653399 0.119448e+10 9.077181 20.900981 0.200000e+01 0.301030 0.693147 0.247576e+09 8.393709 19.327229 0.679734e+07 6.832339 15.732042 coments ./ancestor::cml:module[@dictRef='cc:finalization']/cml:molecule[@id='mol9999'] 4.5287 -6.2934 -2.1877 8.0562 -116.5033 -122.3618 -121.3774 1.5305 -4.6752 3.4113 3.5776 -2.2810 -1.2966 1.5305 -4.6752 3.4113 15.2194 59.5567 8.9037 13.8528 20.1521 -17.6895 12.9778 24.7706 -9.7899 9.7685 -4791.4642 -1975.6141 -1149.6207 28.4870 -35.0956 -58.4475 80.1842 -21.2060 -4.6197 -1170.1226 -973.3963 -506.1180 -8.5477 -37.7241 0.3763 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) 0 2-A -938.313205 0.754822 0. 0.750019 2.426E-9 4.989E-6 0.2995445 0.3192576 -937.9939474 -937.9930032 -938.0671518 3.7315393,-3.0956215,-0.6359178,0.8939308,1.6452132,3.1284685 C01 [X(C13H19B1I1N2)] 1.0372635 2.7596477 1.1638295 0.0415714 0.0454158 -0.0927464 0.0331171 -0.0629824 -0.0461317 -0.0802317 -0.0433334 -0.0324784 0.0087856 -0.0453805 0.0376611 -0.0118693 -0.0970751 -0.04297 0.0139226 -0.034177 -0.075945 -0.0790258 -0.0028117 0.0143865 -0.0377451 -0.042788 -0.0947486 0.0384954 -0.1103267 0.0269124 -0.0351845 0.036377 -0.0633288 -0.0194063 -0.1031595 -0.0297987 -0.0990583 -0.053128 -0.0303674 -0.2190543 0.0054108 -0.0125535 0.0122112 -0.2170327 -0.0177028 -0.0107266 -0.05717 -0.2486571 -0.1192999 0.0019853 0.0492977 0.0505454 -0.0176898 -0.126265 -0.0671436 -0.0983933 0.0214668 -0.067299 -0.0390817 0.0747189 -0.0418544 0.078885 0.0510099 0.081547 0.0505191 0.0380538 0.055843 0.012818 -0.0102237 0.0342651 0.0278793 0.1018835 -0.0282588 0.1031361 -0.0226361 -0.0064068 -0.0325025 0.0619233 -0.026726 0.0693865 0.0255495 0.0929623 0.0402065 0.03115 0.0867886 0.0283663 -0.0343177 0.009627 0.0215621 0.0852501 0.0030103 0.0817627 -0.0170698 0.8553321 -0.2816845 -0.1709059 -0.3051267 0.4850815 0.1949006 -0.1261394 0.3958097 0.6185342 0.2618331 0.164679 0.0573775 0.0775921 0.4010186 0.0804336 -0.0041554 -0.0418442 0.0920723 -0.0087249 0.0352774 -0.0055765 -0.114223 0.1203793 0.0554634 -0.096676 0.0203741 0.0030398 0.1756789 -0.068699 -0.0425078 0.1369894 -0.0366593 0.0062093 0.0445242 0.0203832 -0.1033114 0.0674809 -0.0116425 -0.0024226 -0.0100915 0.0899421 -0.0290445 0.015975 -0.0239624 0.1833006 0.0926042 -0.0040834 -0.0068324 -0.0063372 0.0712063 -0.0296784 -0.014062 -0.0073145 0.1799608 -0.4623116 -0.0792791 -0.019427 0.0386992 -0.391748 -0.0995895 0.0026711 -0.0426289 -0.259575 -0.4600789 0.1247547 0.0464242 -0.0515713 -0.3409082 -0.0732547 -0.0239423 -0.0786285 -0.2077693 0.3643773 -0.0176387 -0.005935 0.0284011 0.2356596 0.0474046 0.0440931 0.0443364 0.2712858 -0.1913168 -0.0429836 0.0346197 -0.0037125 -0.2157086 0.0159751 0.0059135 0.0120997 -0.3318306 -0.5819317 0.1255251 0.1116059 0.0994611 -0.5298882 -0.1301019 0.1709871 -0.2401678 -0.4511184 0.1714018 0.0223305 0.0205138 -0.0069562 0.1701175 0.0685728 0.093196 0.0999793 -0.2055553 0.0100179 -0.031197 -0.0142225 -0.0254322 -0.0527656 -0.0049294 0.0338417 -0.0547423 0.1128148 0.0569886 -0.0354987 -0.0020192 -0.0187006 -0.0606928 0.0086611 -0.0201984 0.0222899 0.0615771 0.0063553 0.0463211 0.0588563 0.0136758 0.0310312 0.0249913 0.1206257 -0.0288974 -0.1240584 -0.0878693 0.0230793 -0.0769616 -0.0073682 0.0430553 -0.0243928 -0.1411727 0.0045761 -0.0140005 -0.0332299 -0.0333246 0.0037892 0.0042883 -0.0891627 -0.0187084 -0.0673181 -0.032036 0.111785 0.0203802 -0.0193209 -0.017924 -0.0641397 -0.0179263 0.0006 -0.0133767 -0.0016696 0.0771958 -0.0517904 0.0461871 0.042482 0.0976599 0.0127271 -0.0925237 0.0835143 -0.0799567 -0.0076123 -0.0014347 -0.01287 -0.0048794 0.010903 0.0519475 0.0691202 -0.0606282 0.0651146 -0.1341227 0.0093195 0.0039565 -0.0150648 0.0099459 -0.0046732 -0.0484339 0.0125473 0.0151626 0.1322745 -0.0298463 0.0945947 0.0749799 0.056513 -0.0203043 -0.0582506 0.0397864 -0.098643 0.0108865 -0.0912297 -0.0310494 -0.0906548 0.0194189 0.0366761 0.0247669 -0.1229586 -0.026811 0.0060809 0.0396827 -0.0525198 0.0226006 -0.0589363 -0.0380271 0.0441521 0.0728497 0.1268495 -0.1055302 0.2934351 -0.0243345 0.0142763 0.020295 0.3101721 0.0270935 0.0453488 0.0163939 0.3162739 -0.0918417 0.0488237 -0.0370092 0.056588 0.0824647 0.034487 -0.0397647 0.034837 0.0769726 233.3583536|2.85152|182.4316383|-12.5470532|-2.3515366|158.6942176 -0.000002315 0.000003120 -0.000005257 0.000020596 -0.000002063 0.000006057 -0.000011833 -0.000003810 -0.000000721 -0.000000590 0.000001586 -0.000006558 -0.000001661 0.000005157 0.000003701 -0.000006799 -0.000001125 0.000003956 0.000001248 -0.000001361 0.000004147 0.000004465 0.000001589 -0.000001542 -0.000000392 -0.000003434 0.000008978 -0.000000566 0.000001898 -0.000000160 0.000009849 -0.000009974 -0.000013941 -0.000013377 0.000006838 0.000011245 -0.000002026 -0.000000835 0.000005776 0.000002825 0.000002287 -0.000001471 -0.000000294 0.000000709 0.000000260 -0.000001441 0.000000872 -0.000000806 0.000006307 -0.000001799 -0.000006171 0.000005840 0.000002249 -0.000006391 -0.000002099 -0.000000945 -0.000000885 -0.000001239 0.000001823 0.000004660 -0.000003866 0.000003961 0.000007336 -0.000001619 -0.000012728 -0.000001202 -0.000003865 0.000001603 0.000001597 0.000003057 0.000002607 -0.000001105 0.000003674 -0.000000329 0.000000566 -0.000000009 -0.000001496 0.000001141 0.000013295 -0.000005211 -0.000005373 0.000000549 0.000002269 -0.000001098 -0.000003867 -0.000000373 0.000003040 -0.000002664 0.000003450 0.000002393 -0.000002175 -0.000000849 -0.000003669 0.000000160 0.000000554 -0.000001907 0.000001081 0.000000013 -0.000000949 0.000001184 0.000000133 -0.000000448 -0.000002222 0.000001640 -0.000000850 -0.000009212 0.000001973 -0.000004352 321.86796999999996 AuxInfo=1/0/N:2,1,3,6,4,13,14,5,12,11,21,17,18;23,27,31,22/E:(2,3)(4,5)(6,7)(12,13);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4;4.3/rA:36nC3C3C3C3C3C3HHHHB4C3C3C3HHNNHHIC3CHHHCHHHCHHHHH/rB:s1;s2;s3;s4;s1s5;s1;s3;s4;s6;s5;s11;;s13;s13;s14;s12s13;s12s14;s18;s11;s11;;s22;s23;s23;s23;s22;s27;s27;s27;s22;s31;s31;s31;s17;s2;/rC:-3.502,-.6118,1.0339;-3.6885,.2492,-.0459;-2.5807,.6862,-.7739;-1.3019,.262,-.4178;-1.0837,-.6043,.6696;-2.216,-1.0275,1.3835;-4.3634,-.964,1.6069;-2.7166,1.3534,-1.6288;-.4474,.5998,-1.0129;-2.0839,-1.7045,2.2321;.3857,-1.05,1.1366;1.3056,.2373,1.4286;3.0374,1.6048,1.8389;1.8983,2.3148,2.0496;4.0795,1.898,1.9059;1.7476,3.347,2.3478;2.6402,.339,1.4693;.8553,1.4487,1.7876;-.138,1.6578,1.8113;.3871,-1.7371,2.1439;1.5212,-2.2936,-.4407;3.6727,1.8853,-1.2223;4.5861,.7296,-1.4693;4.0708,-.2345,-1.3272;4.9725,.7242,-2.5099;5.474,.7596,-.8145;2.2352,1.7772,-1.6111;1.8706,.7406,-1.5329;1.5969,2.4245,-.9842;2.0649,2.0978,-2.6597;4.256,3.2442,-1.0114;3.5564,3.908,-.4762;5.2003,3.2057,-.4434;4.49,3.7464,-1.9732;3.2335,-.4265,1.1585;-4.6936,.5752,-.324; Gaussian 16 28-Sep-2024 Gaussian 16 7-Dec-2021 ES64L-G16RevC.02 102 C1[X(C13H19BIN2)] UwB97XD def2TZVPP SP #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 321.86796999999996 AuxInfo=1/0/N:2,1,3,6,4,13,14,5,12,11,21,17,18;23,27,31,22/E:(2,3)(4,5)(6,7)(12,13);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4;4.3/rA:36nC3C3C3C3C3C3HHHHB4C3C3C3HHNNHHIC3CHHHCHHHCHHHHH/rB:s1;s2;s3;s4;s1s5;s1;s3;s4;s6;s5;s11;;s13;s13;s14;s12s13;s12s14;s18;s11;s11;;s22;s23;s23;s23;s22;s27;s27;s27;s22;s31;s31;s31;s17;s2;/rC:-3.502,-.6118,1.0339;-3.6885,.2492,-.0459;-2.5807,.6862,-.7739;-1.3019,.262,-.4178;-1.0837,-.6043,.6696;-2.216,-1.0275,1.3835;-4.3634,-.964,1.6069;-2.7166,1.3534,-1.6288;-.4474,.5998,-1.0129;-2.0839,-1.7045,2.2321;.3857,-1.05,1.1366;1.3056,.2373,1.4286;3.0374,1.6048,1.8389;1.8983,2.3148,2.0496;4.0795,1.898,1.9059;1.7476,3.347,2.3478;2.6402,.339,1.4693;.8553,1.4487,1.7876;-.138,1.6578,1.8113;.3871,-1.7371,2.1439;1.5212,-2.2936,-.4407;3.6727,1.8853,-1.2223;4.5861,.7296,-1.4693;4.0708,-.2345,-1.3272;4.9725,.7242,-2.5099;5.474,.7596,-.8145;2.2352,1.7772,-1.6111;1.8706,.7406,-1.5329;1.5969,2.4245,-.9842;2.0649,2.0978,-2.6597;4.256,3.2442,-1.0114;3.5564,3.908,-.4762;5.2003,3.2057,-.4434;4.49,3.7464,-1.9732;3.2335,-.4265,1.1585;-4.6936,.5752,-.324; chk=47_tBuI_p.chk Mem=12000MB NProc=12 #p wB97xD/def2TZVPP guess=read geom=allcheck SCF=(XQC) gfprint gfinput 1/29=7,38=1,172=1/1 2/12=2,40=1/2 3/5=44,7=202,11=2,14=-4,24=110,25=1,30=1,74=-58,116=-2/1,2,3 4/5=1/1 5/5=2,8=3,13=1,38=6/2,8 6/7=2,8=2,9=2,10=2,28=1/1 99/5=1,9=1/99 coments Redundant internal coordinates found in file. (old form). 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 12 12 12 12 12 12 1 1 1 1 11 12 12 12 1 1 14 14 1 1 127 12 12 1 1 1 12 1 1 1 12 1 1 1 1 1 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 11.0093053 12.0000000 12.0000000 12.0000000 1.0078250 1.0078250 14.0030740 14.0030740 1.0078250 1.0078250 126.9004000 12.0000000 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 12.0000000 1.0078250 1.0078250 1.0078250 1.0078250 1.0078250 0 0 0 0 0 0 1 1 1 1 3 0 0 0 1 1 2 2 1 1 5 0 0 1 1 1 0 1 1 1 0 1 1 1 1 1 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 2.7500000 3.6000000 3.6000000 3.6000000 1.0000000 1.0000000 4.5500000 4.5500000 1.0000000 1.0000000 5830.0000000 3.6000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 3.6000000 1.0000000 1.0000000 1.0000000 1.0000000 1.0000000 (Enter /usr/local/CompChem/Gaussian/g16/l101.exe) Structure from the checkpoint file: "47_tBuI_p.chk" def2TZVPP (5D, 7F) 0.10000e-02 0.10000e-05 F 920 A 812 A 812 1248 920 71 70 1380.5269738177 36 36 36 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 -0.0316334692 0.000000 1.393552 0.000000 2.408638 1.395765 0.000000 2.776934 2.415458 1.393597 0.000000 2.445556 2.832898 2.447462 1.407336 0.000000 1.396036 2.416939 2.779264 2.396511 1.403843 0.000000 1.092927 2.158460 3.401361 3.869832 3.429941 2.160007 0.000000 3.401290 2.160900 1.092967 2.158534 3.432483 3.872183 4.307201 0.000000 3.871347 3.400359 2.148348 1.094653 2.164591 3.393900 4.964229 2.469136 0.000000 2.154148 3.402996 3.872690 3.391235 2.156864 1.093472 2.476953 4.965614 4.303179 0.000000 3.913665 4.436815 3.932405 2.642988 1.604965 2.613479 4.773183 4.800867 2.834776 2.779889 0.000000 4.897940 5.207264 4.489546 3.195132 2.644505 3.742108 5.797703 5.174193 3.027454 3.988138 1.608941 0.000000 6.951599 7.115307 6.263634 5.071949 4.819861 5.893580 7.837426 6.722855 4.613716 6.110180 3.817427 2.244425 0.000000 6.225695 6.314253 5.539445 4.532406 4.395223 5.342437 7.082071 5.979329 4.221646 5.660916 3.800455 2.247864 1.358716 0.000000 8.033593 8.177417 7.280664 6.085657 5.869340 6.961659 8.919887 7.679743 5.540559 7.146521 4.788204 3.268067 1.084658 2.225364 0.000000 6.704936 6.699038 5.963099 5.144353 5.142505 5.981275 7.515212 6.302148 4.864059 6.341228 4.759738 3.272639 2.226556 1.084863 2.780733 0.000000 6.230570 6.508170 5.692987 4.371143 3.923896 5.045505 7.125169 6.270803 3.970207 5.203400 2.668854 1.339068 1.377184 2.188845 2.166278 3.258254 0.000000 4.878460 5.044443 4.352974 3.305300 3.037170 3.965771 5.752304 4.943632 3.203139 4.333479 2.624437 1.341278 2.188273 1.380815 3.257530 2.171078 2.125679 0.000000 4.131801 4.247282 3.686992 2.876037 2.704652 3.422259 4.976956 4.310044 3.031683 3.907514 2.839344 2.061158 3.175960 2.152865 4.225419 2.587772 3.094298 1.015366 0.000000 4.198045 5.035007 4.816009 3.662189 2.370688 2.803165 4.842942 5.780850 4.015332 2.472861 1.219393 2.292067 4.276158 4.325556 5.186965 5.266887 3.137166 3.239639 3.451348 0.000000 5.498661 5.810567 5.080937 3.808095 3.297265 4.347094 6.370998 5.715917 3.546065 4.526354 2.307255 3.153732 4.763660 5.251740 5.442479 6.296206 3.439546 4.405991 4.841266 2.876808 0.000000 7.924699 7.631984 6.383043 5.294146 5.692127 7.067554 8.983390 6.424268 4.321045 7.612959 4.998375 3.917377 3.138890 3.746751 3.154526 4.311336 3.271276 4.145745 4.876011 5.936966 4.764678 0.000000 8.572126 8.409811 7.200536 5.999324 6.204873 7.582443 9.613769 7.331014 5.055799 8.007102 5.253585 4.404711 3.756091 4.703168 3.607446 5.429311 3.545996 5.004266 5.825861 6.063913 4.426140 1.493608 0.000000 7.941270 7.879219 6.737659 5.471656 5.540116 6.892039 8.959758 6.977209 4.605334 7.260170 4.507200 3.932347 3.804606 4.756235 3.873075 5.632903 3.193095 4.782700 5.580779 5.279780 3.394987 2.159376 1.102347 0.000000 9.282266 9.017226 7.750260 6.630134 6.967944 8.360723 10.342060 7.765024 5.624289 8.841859 6.122341 5.403247 4.840629 5.724516 4.655563 6.393424 4.628366 5.995371 6.757362 6.981544 5.029915 2.166956 1.110043 1.769444 0.000000 9.266364 9.208830 8.055125 6.805685 6.860512 8.195175 10.276646 8.252390 5.926899 8.513299 5.742133 4.762346 3.700254 4.838158 3.262090 5.529959 3.663760 5.345843 6.260699 6.392388 5.008613 2.162878 1.103650 1.794479 1.768281 0.000000 6.754098 6.314616 5.008362 4.028679 4.678470 6.053645 7.836516 4.969935 2.990058 6.748811 4.354640 3.532013 3.546175 3.715276 3.973079 4.286566 3.423597 3.682774 4.166419 5.464940 4.295403 1.493065 2.577621 2.738037 3.067532 3.487088 0.000000 6.105847 5.775436 4.515826 3.396582 3.922694 5.322727 7.185159 4.628933 2.379771 5.982592 3.540753 3.056633 3.671099 3.913194 4.247853 4.676291 3.125161 3.543649 4.007392 4.675323 3.243649 2.157377 2.716260 2.415399 3.252246 3.674388 1.101587 0.000000 6.268221 5.792066 4.529722 3.660624 4.369774 5.662235 7.329507 4.491038 2.740417 6.398586 4.247018 3.269663 3.273625 3.050716 3.846203 3.460588 3.384905 3.030684 3.378267 5.344925 4.749938 2.157849 3.470339 3.648065 4.076015 4.222867 1.104312 1.792095 0.000000 7.209351 6.584145 5.208696 4.442016 5.319759 6.666444 8.300726 4.947706 3.356789 7.456543 5.209634 4.555519 4.628832 4.717275 4.994354 5.170700 4.524734 4.654348 5.003651 6.371568 4.950186 2.167133 3.105728 3.352475 3.219302 4.100920 1.109722 1.774716 1.770068 0.000000 8.901598 8.545038 7.303454 6.335285 6.793364 8.116030 9.942818 7.250804 5.395866 8.672071 6.167107 4.868276 3.506656 3.974000 3.217769 4.193678 4.147873 4.756383 5.458197 7.052519 6.202559 1.493817 2.577172 3.497916 3.018145 2.774030 2.568196 3.497185 2.782713 2.971896 0.000000 8.516424 8.127758 6.937751 6.074473 6.573031 7.819089 9.528877 6.870606 5.221393 8.405250 6.102148 4.708349 3.306596 3.415759 3.160411 3.400197 4.166798 4.297554 4.893329 6.984044 6.527097 2.159112 3.485538 4.260221 4.034627 3.701910 2.752120 3.740469 2.509644 3.204551 1.103016 0.000000 9.616952 9.376048 8.185445 7.137541 7.432656 8.732653 10.632776 8.216729 6.245989 9.183065 6.617233 5.242575 3.528411 4.232295 2.912955 4.442050 4.293071 5.190724 5.998121 7.368350 6.616486 2.164266 2.749731 3.727216 3.237318 2.489160 3.492347 4.283823 3.726586 3.996333 1.102670 1.788000 0.000000 9.586897 9.101281 7.797327 6.935862 7.548503 8.889788 10.648422 7.601377 5.933116 9.519116 7.037146 5.833244 4.607429 4.994991 4.316543 5.133388 5.184872 5.712654 6.332746 7.990839 6.902425 2.166981 3.060085 4.054686 3.107146 3.351311 3.015516 4.011253 3.331010 3.011693 1.109970 1.771717 1.771249 0.000000 6.739187 7.058417 6.227130 4.850607 4.348454 5.487131 7.629143 6.807453 4.395153 5.573259 2.915325 2.056787 2.151219 3.176772 2.584151 4.226280 1.017174 3.093206 4.017181 3.284921 2.995837 3.347401 3.173508 2.629938 4.219612 3.212407 3.677418 3.234699 3.924058 4.724069 4.384992 4.643790 4.430283 5.366517 0.000000 2.161612 1.092622 2.163128 3.407446 3.925515 3.409227 2.491193 2.493339 4.301762 4.305834 5.529359 6.259105 8.093585 7.218914 9.148207 7.504004 7.553552 6.000981 5.146343 6.103340 6.845983 8.515726 9.351339 8.858697 9.911345 10.181092 7.149082 6.676602 6.589877 7.311046 9.364400 8.899054 10.238352 9.854733 8.126504 0.000000 C13H19BIN2(2) C1 1 C1 1 C1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 321.86796999999996 AuxInfo=1/0/N:2,1,3,6,4,13,14,5,12,11,21,17,18;23,27,31,22/E:(2,3)(4,5)(6,7)(12,13);(1,2,3)/CRV:1.3,2.3,3.3,4.3,5.3,6.3,7.3,8.3,9.3,10.4;4.3/rA:36nC3C3C3C3C3C3HHHHB4C3C3C3HHNNHHIC3CHHHCHHHCHHHHH/rB:s1;s2;s3;s4;s1s5;s1;s3;s4;s6;s5;s11;;s13;s13;s14;s12s13;s12s14;s18;s11;s11;;s22;s23;s23;s23;s22;s27;s27;s27;s22;s31;s31;s31;s17;s2;/rC:-4.4847,-1.2579,-.0511;-4.2044,-1.8565,1.1757;-2.9256,-1.7351,1.7217;-1.9422,-1.0208,1.04;-2.1962,-.4089,-.2016;-3.4907,-.5476,-.7267;-5.4845,-1.3425,-.4845;-2.6979,-2.192,2.6881;-.951,-.92,1.4936;-3.7247,-.0814,-1.6878;-1.0592,.36,-1.0334;.2093,-.5975,-1.284;2.241,-1.3975,-1.8033;1.4112,-2.462,-1.6471;3.2998,-1.3502,-2.0339;1.5982,-3.5278,-1.7251;1.4741,-.275,-1.583;.1745,-1.9376,-1.3273;-.6729,-2.4519,-1.1077;-1.4391,.7568,-2.1221;-.2366,2.2323,.035;3.3444,-.7387,1.0605;3.812,.6717,.9094;2.9735,1.3601,.7136;4.309,1.0426,1.8301;4.5548,.7745,.0996;2.0295,-1.007,1.715;1.3133,-.1892,1.5369;1.5841,-1.9514,1.3556;2.1286,-1.1113,2.8154;4.3382,-1.8504,.9704;3.8543,-2.8081,.7148;5.1205,-1.6465,.2206;4.8639,-2.0129,1.9344;1.793,.6899,-1.5389;-4.9802,-2.4116,1.7084; 0.3691087 0.2408514 0.1833810 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. Defaulting to unpruned grid for atomic number 53. Generated NRdTot= 0 NPtTot= 0 NUsed= 0 NTot= 32 NSgBfM= 907 907 907 907 907 MxSgAt= 36 MxSgA2= 36. 1 open 1 1 1 -938.679487407029 -938.839373748612 -0.159886341583 -939.005049207886 -0.165675459275 -939.005324952747 -0.000275744861 -939.005367696464 -0.000042743717 -939.005372428526 -0.000004732062 -939.005372790871 -0.000000362345 -939.005372844330 -0.000000053459 -939.005372852480 -0.000000008150 -939.005372853297 -0.000000000818 -939.005372853504 -0.000000000206 -939.005372853503 0.000000000001 -939.005372854 12 0.7551 7.509884437112e+02 -4.879531472382e+03 1.809042315469e+03 Using DIIS extrapolation, IDIIS= 1040. NGot= 1572864000 LenX= 1571151412 LenY= 1570304092 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. 0.7551 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 C C C C C C H H H H B C C C H H N N H H I C C H H H C H H H C H H H H H 13 13 13 13 13 13 1 1 1 1 11 13 13 13 1 1 14 14 1 1 127 13 13 1 1 1 13 1 1 1 13 1 1 1 1 1 0.00000 0.00001 0.00000 0.00006 -0.00005 0.00000 -0.00000 0.00000 -0.00001 0.00000 0.00003 -0.00043 0.00194 0.00070 0.00070 -0.00019 0.00328 0.00054 -0.00009 -0.00007 0.00000 0.09326 -0.02773 0.00527 0.02763 0.00736 -0.02768 0.00376 0.00894 0.02605 -0.02812 0.00662 0.00519 0.02557 -0.00004 0.00000 0.00091 0.00573 0.00206 0.06967 -0.05327 0.00560 -0.00048 0.00514 -0.02594 0.00209 0.04247 -0.48713 2.18399 0.78956 3.10659 -0.86217 1.05858 0.17405 -0.41614 -0.31462 0.00100 104.84304 -31.16996 23.56975 123.50537 32.91334 -31.11683 16.81214 39.96392 116.44135 -31.61469 29.59364 23.20544 114.29380 -0.18443 0.00066 0.00033 0.00204 0.00073 0.02486 -0.01901 0.00200 -0.00017 0.00183 -0.00926 0.00075 0.01516 -0.17382 0.77930 0.28173 1.10851 -0.30764 0.37773 0.06211 -0.14849 -0.11226 0.00036 37.41060 -11.12222 8.41027 44.06979 11.74430 -11.10326 5.99899 14.26012 41.54917 -11.28091 10.55975 8.28028 40.78287 -0.06581 0.00024 0.00030 0.00191 0.00069 0.02324 -0.01777 0.00187 -0.00016 0.00171 -0.00865 0.00070 0.01417 -0.16249 0.72850 0.26337 1.03625 -0.28759 0.35310 0.05806 -0.13881 -0.10495 0.00033 34.97187 -10.39718 7.86202 41.19696 10.97871 -10.37946 5.60793 13.33053 38.84065 -10.54552 9.87137 7.74050 38.12431 -0.06152 0.00022 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 0.000577 0.000646 0.001067 0.001995 0.001413 0.000761 0.000391 0.000924 0.003372 0.000538 0.001536 0.003904 0.000429 -0.006802 -0.004968 -0.001814 -0.003646 -0.004480 0.001807 0.000689 0.001019 -0.365147 -0.006414 -0.009238 -0.004151 0.000446 0.006030 0.013365 0.008518 0.001694 0.004367 -0.007171 0.009669 0.002984 -0.001939 0.000448 -0.000299 -0.000320 -0.000542 -0.001049 -0.000774 -0.000413 -0.000205 -0.000492 -0.001798 -0.000324 -0.000893 -0.000701 -0.001149 -0.008190 -0.004254 0.001506 -0.011204 -0.008630 -0.001151 -0.000516 0.000131 -0.542429 0.012837 0.016328 0.008351 0.004825 -0.010080 -0.007793 -0.001280 -0.007729 0.004188 0.014384 -0.003835 0.000930 -0.000262 -0.000217 -0.000277 -0.000326 -0.000525 -0.000945 -0.000639 -0.000347 -0.000186 -0.000432 -0.001574 -0.000214 -0.000643 -0.003204 0.000719 0.014992 0.009222 0.000308 0.014850 0.013110 -0.000656 -0.000173 -0.001150 0.907576 -0.006424 -0.007090 -0.004200 -0.005271 0.004049 -0.005572 -0.007237 0.006035 -0.008555 -0.007213 -0.005834 -0.003914 0.002201 -0.000231 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 0.000046 0.000131 0.000240 0.000077 -0.000216 -0.000060 0.000034 0.000341 0.000065 -0.000103 -0.000757 -0.000248 0.001730 0.002203 0.000027 0.001084 -0.003275 0.001556 0.001702 -0.000483 -0.001925 0.052185 0.010647 -0.003251 0.008156 0.010823 0.004068 -0.005207 0.011112 0.002358 -0.014922 -0.007624 -0.009488 -0.010069 -0.002313 0.000133 0.000112 -0.000020 -0.000178 0.000054 0.000466 0.000282 0.000097 -0.000385 -0.000497 0.000324 0.001153 0.002318 0.003581 0.008560 -0.000677 0.001636 0.015613 0.006569 0.001223 0.000873 0.000695 0.529153 0.003026 0.000045 0.003595 -0.004614 -0.012283 -0.006540 -0.004314 -0.009455 0.003217 -0.000981 -0.005869 0.005132 0.004362 -0.000057 0.000007 0.000001 -0.000024 0.000023 -0.000020 -0.000003 0.000006 -0.000086 0.000012 -0.000032 -0.000271 -0.000058 0.003785 0.003096 0.003132 0.002236 -0.005803 0.001256 0.000448 -0.000285 -0.000531 0.145394 0.003411 -0.002326 0.004821 -0.007421 -0.002672 0.002743 -0.003947 -0.003154 -0.002721 0.002032 0.004476 -0.003702 -0.004465 -0.000010 -0.0334 0.9891 -0.1436 -0.1337 0.1379 0.9814 0.9905 0.052 0.1276 -3.0E-4 -3.0E-4 6.0E-4 -0.04 -0.039 0.08 -0.014 -0.014 0.028 -0.014 -0.013 0.027 1 C 13 -0.1315 0.9412 -0.3111 -0.022 0.311 0.9501 0.9911 0.1317 -0.0202 -3.0E-4 -3.0E-4 7.0E-4 -0.045 -0.044 0.089 -0.016 -0.016 0.032 -0.015 -0.015 0.03 2 C 13 -0.1497 0.9873 -0.0531 0.0994 0.0684 0.9927 0.9837 0.1433 -0.1084 -6.0E-4 -5.0E-4 0.0011 -0.077 -0.073 0.15 -0.028 -0.026 0.054 -0.026 -0.024 0.05 3 C 13 -0.0213 0.981 -0.1929 -0.0231 0.1924 0.9811 0.9995 0.0253 0.0185 -0.0011 -9.0E-4 0.002 -0.142 -0.126 0.268 -0.051 -0.045 0.096 -0.047 -0.042 0.089 4 C 13 0.1621 0.9253 -0.343 -0.1622 0.3678 0.9156 0.9734 -0.0928 0.2097 -8.0E-4 -7.0E-4 0.0015 -0.108 -0.098 0.206 -0.039 -0.035 0.073 -0.036 -0.033 0.069 5 C 13 0.1941 0.724 -0.662 -0.1367 0.6882 0.7125 0.9714 -0.0477 0.2325 -4.0E-4 -4.0E-4 8.0E-4 -0.057 -0.054 0.112 -0.02 -0.019 0.04 -0.019 -0.018 0.037 6 C 13 -0.0228 0.979 -0.2025 -0.1697 0.1959 0.9658 0.9852 0.0564 0.1617 -2.0E-4 -2.0E-4 4.0E-4 -0.11 -0.108 0.218 -0.039 -0.038 0.078 -0.037 -0.036 0.073 7 H 1 -0.2348 0.9707 -0.0509 0.2307 0.1066 0.9672 0.9442 0.2154 -0.249 -6.0E-4 -5.0E-4 0.0011 -0.304 -0.284 0.588 -0.108 -0.101 0.21 -0.101 -0.095 0.196 8 H 1 -0.0226 0.9943 -0.1047 0.0971 0.1064 0.9896 0.995 0.0122 -0.099 -0.0018 -0.0016 0.0034 -0.961 -0.865 1.826 -0.343 -0.309 0.652 -0.32 -0.289 0.609 9 H 1 0.3013 0.7588 -0.5774 -0.1997 0.6423 0.7399 0.9324 -0.1076 0.3451 -3.0E-4 -3.0E-4 7.0E-4 -0.182 -0.176 0.357 -0.065 -0.063 0.128 -0.061 -0.059 0.119 10 H 1 -0.4529 -0.5384 0.7106 -0.0281 0.8053 0.5923 0.8911 -0.2483 0.3798 -0.0012 -0.0011 0.0022 -0.201 -0.183 0.383 -0.072 -0.065 0.137 -0.067 -0.061 0.128 11 B 11 -0.2851 -0.0048 0.9585 0.0445 0.9988 0.0182 0.9575 -0.0478 0.2845 -0.0039 -7.0E-4 0.0046 -0.522 -0.096 0.618 -0.186 -0.034 0.221 -0.174 -0.032 0.206 12 C 13 -0.2767 -0.6667 0.692 0.7834 -0.5736 -0.2394 0.5565 0.4759 0.681 -0.0044 -0.0019 0.0063 -0.585 -0.259 0.844 -0.209 -0.093 0.301 -0.195 -0.086 0.282 13 C 13 0.827 -0.5192 -0.2154 0.4561 0.8438 -0.2829 0.3287 0.1358 0.9346 -0.0104 -0.008 0.0185 -1.398 -1.079 2.476 -0.499 -0.385 0.884 -0.466 -0.36 0.826 14 C 13 0.7558 -0.6315 0.1733 0.6533 0.745 -0.1348 -0.0439 0.2151 0.9756 -0.0051 -0.0048 0.0099 -2.745 -2.56 5.305 -0.98 -0.913 1.893 -0.916 -0.854 1.77 15 H 1 0.8642 0.0437 -0.5013 -0.3919 0.6833 -0.616 0.3157 0.7288 0.6076 -0.0027 -0.0011 0.0038 -1.445 -0.604 2.049 -0.516 -0.215 0.731 -0.482 -0.201 0.683 16 H 1 0.8264 -0.2214 -0.5178 0.283 0.9582 0.0419 0.4869 -0.1811 0.8545 -0.0126 -0.0124 0.025 -0.484 -0.479 0.963 -0.173 -0.171 0.344 -0.161 -0.16 0.321 17 N 14 -0.3902 0.9185 0.0632 0.8641 0.3891 -0.3192 0.3177 0.07 0.9456 -0.0092 -0.0062 0.0154 -0.355 -0.239 0.594 -0.127 -0.085 0.212 -0.118 -0.08 0.198 18 N 14 -0.4406 0.8911 0.1089 -0.2537 -0.24 0.9371 0.8611 0.3852 0.3318 -0.0019 -0.0011 0.003 -1.034 -0.588 1.622 -0.369 -0.21 0.579 -0.345 -0.196 0.541 19 H 1 -0.5737 -0.2854 0.7677 0.0717 0.9162 0.3942 0.8159 -0.2812 0.5052 -7.0E-4 -7.0E-4 0.0014 -0.384 -0.361 0.745 -0.137 -0.129 0.266 -0.128 -0.12 0.248 20 H 1 0.645 0.7148 -0.2702 0.0074 0.3478 0.9375 0.7641 -0.6067 0.2191 -0.0014 -0.0013 0.0027 -0.151 -0.144 0.295 -0.054 -0.051 0.105 -0.05 -0.048 0.098 21 I 127 0.4264 0.8719 -0.2406 0.8388 -0.4807 -0.2555 0.3384 0.0929 0.9364 -0.557 -0.5562 1.1132 -74.748 -74.639 149.387 -26.672 -26.633 53.305 -24.933 -24.897 49.83 22 C 13 0.8905 -0.3475 -0.2936 0.203 -0.2739 0.9401 0.4071 0.8968 0.1734 -0.0116 -0.0068 0.0183 -1.552 -0.908 2.46 -0.554 -0.324 0.878 -0.518 -0.303 0.82 23 C 13 0.9859 0.1324 0.1021 -0.1136 0.0819 0.9902 -0.1228 0.9878 -0.0958 -0.0097 -0.0073 0.017 -5.16 -3.888 9.048 -1.841 -1.387 3.229 -1.721 -1.297 3.018 24 H 1 0.8746 -0.3161 -0.3675 0.2147 -0.4271 0.8784 0.4346 0.8472 0.3056 -0.0086 -0.0057 0.0143 -4.594 -3.022 7.616 -1.639 -1.078 2.718 -1.532 -1.008 2.541 25 H 1 -0.3535 0.6244 0.6966 0.7359 -0.2742 0.6191 0.5776 0.7314 -0.3626 -0.0096 -0.0075 0.017 -5.112 -3.985 9.097 -1.824 -1.422 3.246 -1.705 -1.329 3.034 26 H 1 -0.2577 0.9654 -0.0388 0.6352 0.1996 0.7462 0.7281 0.1676 -0.6646 -0.0111 -0.0071 0.0182 -1.484 -0.956 2.44 -0.529 -0.341 0.87 -0.495 -0.319 0.814 27 C 13 0.0579 0.8704 -0.489 0.3728 0.4355 0.8194 0.9261 -0.2297 -0.2993 -0.0097 -0.0071 0.0168 -5.165 -3.783 8.948 -1.843 -1.35 3.193 -1.723 -1.262 2.985 28 H 1 -0.2434 0.6677 0.7035 0.5329 -0.514 0.6722 0.8104 0.5386 -0.2307 -0.0095 -0.0076 0.0171 -5.064 -4.076 9.14 -1.807 -1.454 3.261 -1.689 -1.36 3.049 29 H 1 -0.074 0.9834 0.1659 0.787 -0.0446 0.6153 -0.6124 -0.1761 0.7706 -0.0084 -0.0058 0.0143 -4.502 -3.111 7.614 -1.607 -1.11 2.717 -1.502 -1.038 2.54 30 H 1 0.7098 0.6723 -0.21 0.0478 0.2515 0.9667 0.7027 -0.6962 0.1464 -0.0107 -0.0091 0.0198 -1.438 -1.222 2.66 -0.513 -0.436 0.949 -0.48 -0.407 0.887 31 C 13 0.947 0.2886 0.1411 -0.1073 -0.1297 0.9857 -0.3028 0.9486 0.0918 -0.0096 -0.0074 0.017 -5.144 -3.934 9.078 -1.835 -1.404 3.239 -1.716 -1.312 3.028 32 H 1 0.2008 0.7782 -0.5951 0.5054 0.4381 0.7434 0.8392 -0.4501 -0.3053 -0.0097 -0.0072 0.0169 -5.179 -3.834 9.013 -1.848 -1.368 3.216 -1.727 -1.279 3.006 33 H 1 0.7046 0.6581 -0.2655 -0.0493 0.4187 0.9068 0.7079 -0.6258 0.3274 -0.0084 -0.0059 0.0143 -4.458 -3.149 7.607 -1.591 -1.124 2.714 -1.487 -1.05 2.538 34 H 1 0.7616 -0.214 -0.6117 0.4741 0.8275 0.3007 0.4418 -0.519 0.7317 -0.0048 -0.0032 0.008 -2.557 -1.712 4.269 -0.912 -0.611 1.523 -0.853 -0.571 1.424 35 H 1 PT7392.700S 2024-09-28T11:02:19.000 -14.53233 -14.52878 -10.38295 -10.36385 -10.36276 -10.29729 -10.28632 -10.28107 -10.28096 -10.28049 -10.27917 -10.27829 -10.27732 -10.27541 -10.26453 -6.90486 -6.82843 -4.92099 -4.91506 -4.91449 -1.95577 -1.95406 -1.95354 -1.94842 -1.94842 -1.18513 -1.04720 -0.94220 -0.91157 -0.90650 -0.83225 -0.83135 -0.79561 -0.79258 -0.78798 -0.75766 -0.74356 -0.69798 -0.68357 -0.67582 -0.63485 -0.61687 -0.60582 -0.59158 -0.57366 -0.56443 -0.56229 -0.53741 -0.53463 -0.53437 -0.52443 -0.52316 -0.49210 -0.47759 -0.47403 -0.46868 -0.45523 -0.45053 -0.44286 -0.43446 -0.43328 -0.42476 -0.40595 -0.39367 -0.36855 -0.34589 -0.32134 -0.31072 -0.29910 -0.29342 -0.25533 0.03961 0.05486 0.06060 0.06744 0.07928 0.10174 0.11286 0.11668 0.12868 0.13317 0.13963 0.15070 0.15188 0.15892 0.16599 0.17468 0.17634 0.17886 0.18242 0.19111 0.19342 0.19922 0.20162 0.20449 0.21003 0.21524 0.21861 0.22314 0.22886 0.23099 0.23556 0.24350 0.24511 0.25200 0.25999 0.26639 0.26757 0.28237 0.28245 0.29080 0.29548 0.30121 0.30233 0.30957 0.31412 0.32158 0.32686 0.32928 0.34045 0.34270 0.35331 0.35655 0.36136 0.36983 0.37648 0.38270 0.38572 0.38945 0.39151 0.39640 0.40137 0.40652 0.40953 0.41551 0.41847 0.42426 0.42727 0.43229 0.44020 0.44347 0.44882 0.45476 0.46125 0.46626 0.46855 0.47606 0.47996 0.48260 0.48756 0.49149 0.49462 0.49898 0.50291 0.50608 0.51238 0.51669 0.51913 0.52321 0.52521 0.52949 0.53683 0.54413 0.54963 0.55167 0.55364 0.55837 0.56072 0.56638 0.57482 0.58032 0.58370 0.58615 0.59511 0.59792 0.60418 0.61155 0.62100 0.62705 0.63711 0.64040 0.64451 0.65042 0.65427 0.66084 0.67179 0.68560 0.68749 0.69836 0.71014 0.71728 0.72350 0.72491 0.73723 0.74165 0.74706 0.75044 0.75902 0.76481 0.76914 0.77475 0.78003 0.78469 0.79667 0.80142 0.80490 0.82065 0.82285 0.82566 0.84122 0.84519 0.85559 0.85672 0.86566 0.86845 0.88750 0.89604 0.89876 0.90246 0.91430 0.92034 0.92655 0.93067 0.93705 0.93863 0.95536 0.96803 0.97155 0.97397 0.98804 1.00096 1.00385 1.00615 1.01015 1.01340 1.02317 1.02483 1.02953 1.03132 1.04160 1.04536 1.04986 1.05677 1.06650 1.06958 1.07192 1.07531 1.08226 1.08799 1.09539 1.09814 1.10956 1.11487 1.11922 1.12850 1.13742 1.14751 1.15665 1.15941 1.17522 1.17694 1.18162 1.18537 1.19829 1.21185 1.21680 1.22375 1.22487 1.22700 1.23648 1.24510 1.24783 1.25776 1.26452 1.27008 1.27298 1.28212 1.28936 1.29175 1.29873 1.30565 1.30917 1.31052 1.32325 1.34110 1.34382 1.34970 1.35119 1.35917 1.36400 1.36899 1.37380 1.38064 1.38538 1.38700 1.39268 1.40010 1.40556 1.41210 1.41793 1.41981 1.42579 1.43142 1.43979 1.44531 1.45675 1.46415 1.47266 1.48043 1.49507 1.49842 1.51276 1.51332 1.51684 1.52313 1.52519 1.53418 1.53670 1.54654 1.55050 1.55442 1.55884 1.56718 1.57638 1.58162 1.58529 1.58969 1.59434 1.59530 1.60038 1.60779 1.61807 1.62601 1.62987 1.63472 1.64292 1.65184 1.66217 1.67372 1.67670 1.69117 1.70471 1.71465 1.71822 1.72375 1.73103 1.74031 1.74592 1.75243 1.75585 1.76001 1.77472 1.77773 1.78776 1.79966 1.81459 1.82241 1.82936 1.83181 1.83455 1.84685 1.85368 1.86302 1.87593 1.89843 1.90558 1.91265 1.92750 1.93762 1.95138 1.95506 1.96145 1.99196 2.01218 2.02754 2.04248 2.04811 2.05216 2.06930 2.07036 2.07449 2.08710 2.10370 2.11433 2.12362 2.14200 2.15600 2.17121 2.18221 2.18793 2.20870 2.22675 2.23220 2.25424 2.26562 2.27699 2.30865 2.31170 2.32607 2.35498 2.36614 2.36881 2.37361 2.38014 2.38611 2.39659 2.41011 2.41387 2.44856 2.45976 2.46443 2.47296 2.48658 2.49034 2.50570 2.50871 2.53043 2.54063 2.57515 2.58332 2.60276 2.60654 2.61296 2.62764 2.63935 2.65079 2.65931 2.66751 2.68357 2.69302 2.71437 2.73813 2.73963 2.75756 2.76053 2.77554 2.78376 2.79149 2.79863 2.80972 2.82896 2.83649 2.83922 2.84277 2.84700 2.85442 2.86774 2.87124 2.88203 2.88794 2.88873 2.89400 2.90320 2.91441 2.92107 2.92583 2.93651 2.94097 2.95245 2.95956 2.97455 2.97740 2.98703 2.99816 3.00605 3.01223 3.01450 3.01992 3.02758 3.03843 3.04378 3.05213 3.05787 3.06452 3.06921 3.07355 3.08091 3.08718 3.09406 3.10705 3.11037 3.12431 3.12620 3.13195 3.13464 3.13651 3.14186 3.15037 3.15504 3.16108 3.16526 3.17137 3.17417 3.18012 3.18864 3.19572 3.19679 3.20529 3.21033 3.21436 3.22209 3.22595 3.23135 3.24526 3.25129 3.25567 3.26562 3.26964 3.27528 3.28418 3.29586 3.30257 3.31392 3.31874 3.32066 3.32877 3.33923 3.34030 3.34457 3.35981 3.36073 3.36873 3.38079 3.38167 3.38931 3.40589 3.40901 3.41801 3.42488 3.42899 3.43050 3.44236 3.44519 3.44916 3.44968 3.46628 3.47015 3.47582 3.48937 3.49659 3.50351 3.50456 3.51159 3.51459 3.52395 3.52591 3.53438 3.53860 3.55455 3.55991 3.56539 3.57069 3.57623 3.58102 3.59085 3.60092 3.61029 3.62074 3.62441 3.63263 3.63743 3.64541 3.64803 3.65322 3.65619 3.66656 3.66850 3.67562 3.68851 3.69680 3.70892 3.71383 3.72045 3.72393 3.74107 3.74480 3.75815 3.77011 3.77293 3.78816 3.79668 3.80689 3.82939 3.83545 3.84435 3.85389 3.85878 3.86081 3.86845 3.87275 3.87857 3.89110 3.89474 3.89818 3.92216 3.92585 3.93022 3.93534 3.94087 3.94566 3.95412 3.95491 3.96837 3.97240 3.97694 3.98423 3.99967 4.00299 4.01530 4.02252 4.03208 4.03556 4.04536 4.04978 4.05518 4.06339 4.06947 4.07857 4.08912 4.09457 4.10208 4.11433 4.12016 4.12516 4.13025 4.13224 4.14122 4.17095 4.17563 4.18654 4.20664 4.21460 4.22270 4.24491 4.25011 4.25778 4.26002 4.26801 4.27125 4.27443 4.27768 4.28584 4.29507 4.29986 4.30901 4.31405 4.31873 4.32284 4.33665 4.34786 4.35108 4.36121 4.36223 4.36822 4.37884 4.39047 4.39748 4.41248 4.41655 4.42193 4.42797 4.42965 4.43819 4.45959 4.46335 4.46861 4.48695 4.49753 4.50570 4.51321 4.52400 4.53258 4.54076 4.56501 4.57429 4.59273 4.60304 4.60553 4.62504 4.66203 4.66485 4.67614 4.68884 4.70790 4.71438 4.72071 4.72157 4.73187 4.74729 4.75781 4.76797 4.77844 4.78427 4.78937 4.79540 4.80909 4.81550 4.82189 4.83282 4.84242 4.84792 4.86248 4.86674 4.86925 4.88349 4.88985 4.89137 4.90966 4.91969 4.92854 4.94561 4.94919 4.95863 4.97857 4.98086 5.00474 5.04680 5.05352 5.06160 5.06590 5.08400 5.08734 5.09176 5.10481 5.11309 5.15160 5.18394 5.19369 5.19800 5.21415 5.25452 5.26354 5.26407 5.28144 5.28569 5.29577 5.30347 5.31334 5.32523 5.33508 5.35960 5.37918 5.39570 5.39875 5.40530 5.41548 5.42579 5.43066 5.43578 5.43721 5.45145 5.45493 5.47135 5.47444 5.49671 5.51267 5.53248 5.55363 5.56005 5.56756 5.57943 5.59786 5.60626 5.64752 5.69982 5.70580 5.73914 5.74493 5.76113 5.76603 5.78005 5.78272 5.79090 5.79938 5.81265 5.82169 5.82342 5.83624 5.86066 5.88087 5.96386 6.04216 6.12171 6.23565 6.27139 6.34861 6.49366 6.68293 6.72480 6.88348 6.98051 15.54524 22.82658 22.83271 23.06811 23.17953 23.26456 23.29309 23.36290 23.47240 23.60921 23.64379 23.65897 23.84298 24.04614 32.97908 33.03744 34.87449 34.90026 35.09527 43.08793 119.81252 -14.53223 -14.52863 -10.38299 -10.36387 -10.36263 -10.28712 -10.28580 -10.28173 -10.28107 -10.28049 -10.27917 -10.27907 -10.27732 -10.27541 -10.26453 -6.90485 -6.82843 -4.92099 -4.91505 -4.91448 -1.95577 -1.95406 -1.95353 -1.94842 -1.94841 -1.18493 -1.04690 -0.94220 -0.90701 -0.89180 -0.83225 -0.83135 -0.79309 -0.79027 -0.78733 -0.75747 -0.74352 -0.69788 -0.68355 -0.67579 -0.61684 -0.61335 -0.60571 -0.59019 -0.57339 -0.56429 -0.56191 -0.53036 -0.52982 -0.52460 -0.52311 -0.51622 -0.49198 -0.47059 -0.46876 -0.46683 -0.45427 -0.45047 -0.44105 -0.42961 -0.42797 -0.42397 -0.40574 -0.39354 -0.36832 -0.34545 -0.32132 -0.31066 -0.29880 -0.29330 0.02437 0.03968 0.05552 0.06360 0.07006 0.07917 0.10158 0.11266 0.11688 0.12867 0.13316 0.13978 0.15074 0.15214 0.15934 0.16678 0.17541 0.17866 0.17944 0.18296 0.19205 0.19420 0.20079 0.20283 0.20612 0.21093 0.21685 0.21918 0.22347 0.22920 0.23145 0.23635 0.24423 0.24590 0.25228 0.26004 0.26634 0.26768 0.28236 0.28267 0.29145 0.29582 0.30141 0.30292 0.30960 0.31456 0.32184 0.32741 0.32957 0.34053 0.34295 0.35417 0.35737 0.36311 0.37112 0.37749 0.38353 0.38628 0.39059 0.39265 0.40115 0.40574 0.40794 0.41418 0.41764 0.42367 0.42875 0.43081 0.43387 0.44042 0.44639 0.44906 0.45541 0.46143 0.46690 0.46966 0.47633 0.48092 0.48351 0.48822 0.49273 0.49719 0.50071 0.50550 0.50671 0.51452 0.51744 0.52111 0.52510 0.52738 0.53096 0.53911 0.54474 0.55175 0.55309 0.55407 0.55889 0.56294 0.56762 0.57873 0.58043 0.58616 0.58755 0.59831 0.59906 0.60546 0.61204 0.62217 0.62765 0.63746 0.64110 0.64592 0.65109 0.65623 0.66245 0.67330 0.68644 0.68994 0.69905 0.71077 0.71772 0.72411 0.72517 0.73799 0.74177 0.74765 0.75073 0.75936 0.76547 0.76924 0.77484 0.78022 0.78559 0.79755 0.80187 0.80564 0.82152 0.82369 0.82586 0.84175 0.84688 0.85603 0.85740 0.86624 0.86914 0.88783 0.89641 0.89961 0.90337 0.91634 0.92130 0.92676 0.93163 0.93811 0.93930 0.95647 0.97022 0.97194 0.97537 0.98973 1.00188 1.00484 1.00709 1.01058 1.01487 1.02425 1.02614 1.03026 1.03229 1.04232 1.04587 1.05191 1.05709 1.06683 1.07052 1.07263 1.07584 1.08311 1.08944 1.09617 1.09884 1.11160 1.11566 1.11992 1.13044 1.13822 1.14816 1.15931 1.16016 1.17552 1.17779 1.18352 1.18662 1.19879 1.21451 1.21948 1.22450 1.22658 1.22876 1.23814 1.24816 1.25041 1.25896 1.26591 1.27091 1.27618 1.28404 1.29259 1.29340 1.30093 1.30960 1.31081 1.31553 1.32445 1.34171 1.34560 1.35050 1.35568 1.36068 1.36458 1.36948 1.37450 1.38142 1.38620 1.38779 1.39381 1.40081 1.40639 1.41330 1.41931 1.42259 1.42633 1.43316 1.44038 1.44700 1.45832 1.46480 1.47410 1.48136 1.49691 1.49890 1.51316 1.51509 1.51975 1.52555 1.52675 1.53505 1.53755 1.54798 1.55244 1.55498 1.55999 1.56823 1.57694 1.58266 1.58625 1.59071 1.59479 1.59655 1.60154 1.60961 1.61887 1.62736 1.63094 1.63637 1.64353 1.65268 1.66481 1.67693 1.67730 1.69302 1.70622 1.71652 1.72003 1.72441 1.73191 1.74131 1.74781 1.75378 1.75746 1.76092 1.77578 1.77799 1.78941 1.80021 1.81953 1.82475 1.83039 1.83488 1.84332 1.84732 1.85598 1.86798 1.87756 1.89941 1.90707 1.91401 1.92900 1.93845 1.95152 1.95574 1.96461 1.99353 2.01383 2.02818 2.04348 2.04880 2.05273 2.07003 2.07542 2.08113 2.08955 2.10379 2.11573 2.12467 2.14241 2.16180 2.17127 2.18297 2.18989 2.20904 2.22824 2.23408 2.25469 2.26633 2.27754 2.30924 2.31257 2.32645 2.35778 2.36709 2.37308 2.37857 2.38169 2.38787 2.40135 2.41124 2.42791 2.44996 2.46028 2.46448 2.47754 2.48832 2.49658 2.50760 2.50986 2.53074 2.54186 2.57672 2.58437 2.60354 2.61021 2.61707 2.63097 2.64012 2.65117 2.66506 2.66983 2.68551 2.69588 2.72113 2.73890 2.74246 2.75838 2.76078 2.77639 2.78638 2.79341 2.80223 2.81147 2.82944 2.83770 2.84387 2.84525 2.84935 2.85639 2.87201 2.87363 2.88393 2.88847 2.89185 2.89467 2.90441 2.91501 2.92375 2.92622 2.93980 2.94363 2.95435 2.95992 2.97495 2.98122 2.98831 2.99959 3.00804 3.01460 3.01485 3.02424 3.02793 3.04311 3.04598 3.05399 3.06188 3.06906 3.07326 3.07810 3.08168 3.08939 3.09559 3.10960 3.11118 3.12541 3.12893 3.13431 3.13561 3.13969 3.14729 3.15587 3.15878 3.16342 3.16716 3.17365 3.17633 3.18230 3.18902 3.19721 3.19780 3.20599 3.21404 3.21492 3.22260 3.22632 3.23194 3.24621 3.25228 3.25613 3.26692 3.27027 3.27558 3.28684 3.29609 3.30273 3.31515 3.31899 3.32297 3.33057 3.34121 3.34211 3.34856 3.36155 3.36499 3.37270 3.38222 3.39002 3.39632 3.40706 3.41110 3.42177 3.42722 3.42944 3.43304 3.44420 3.44708 3.45023 3.45220 3.46782 3.47302 3.47713 3.49186 3.49676 3.50472 3.50715 3.51348 3.52020 3.52585 3.52926 3.53790 3.54170 3.55612 3.56083 3.56879 3.57315 3.57775 3.58210 3.59241 3.60314 3.61184 3.62217 3.62594 3.63374 3.63966 3.64713 3.65076 3.65487 3.65912 3.66999 3.67051 3.67953 3.68966 3.69801 3.71098 3.71761 3.72377 3.72637 3.74505 3.74759 3.75916 3.77115 3.77390 3.78879 3.79714 3.80952 3.83232 3.83621 3.84474 3.85460 3.85975 3.86283 3.86866 3.87505 3.88057 3.89193 3.89593 3.90379 3.92283 3.92837 3.93161 3.93631 3.94506 3.94698 3.95496 3.95845 3.97154 3.97437 3.97960 3.98548 4.00244 4.00530 4.01695 4.02377 4.03423 4.03769 4.04833 4.05276 4.06010 4.06526 4.07265 4.08210 4.09340 4.09698 4.10555 4.11658 4.12112 4.12877 4.13360 4.13453 4.14506 4.17133 4.17881 4.18935 4.20774 4.21523 4.22655 4.24726 4.25285 4.25842 4.26212 4.27102 4.27219 4.27711 4.28136 4.28791 4.29761 4.30306 4.31183 4.31605 4.32129 4.32588 4.33919 4.34851 4.35178 4.36236 4.36358 4.36843 4.37934 4.39064 4.39907 4.41495 4.41753 4.42364 4.42926 4.43196 4.43975 4.46079 4.46577 4.47067 4.49056 4.49799 4.50989 4.51748 4.52622 4.53819 4.54242 4.56574 4.57526 4.59381 4.60562 4.60949 4.62539 4.66211 4.66724 4.67634 4.68908 4.70881 4.71823 4.72097 4.72506 4.73249 4.74994 4.75887 4.76981 4.77945 4.78644 4.79305 4.79719 4.81239 4.82107 4.82640 4.83327 4.84762 4.84930 4.86420 4.86773 4.87141 4.88402 4.89081 4.89387 4.91083 4.92396 4.93328 4.94824 4.95038 4.96190 4.97865 4.98210 5.00495 5.04739 5.05414 5.06241 5.06626 5.08486 5.08865 5.09284 5.10501 5.11529 5.15196 5.18439 5.19404 5.19819 5.21564 5.25645 5.26629 5.26812 5.28288 5.28773 5.29834 5.30516 5.31654 5.32745 5.33546 5.35967 5.38139 5.39668 5.40101 5.40731 5.41608 5.42626 5.43145 5.43814 5.43846 5.45421 5.45746 5.47187 5.47728 5.49822 5.51282 5.53286 5.55482 5.56052 5.56959 5.58360 5.60032 5.60710 5.64807 5.70003 5.70615 5.74081 5.74643 5.76208 5.76968 5.78192 5.78296 5.79125 5.80010 5.81403 5.82264 5.82389 5.83629 5.86114 5.88150 5.96397 6.04216 6.12171 6.23575 6.27139 6.34869 6.49374 6.68293 6.72489 6.88357 6.98061 15.54524 22.83074 22.84508 23.06999 23.17955 23.26456 23.29310 23.36290 23.47237 23.60851 23.64318 23.65896 23.84289 24.04614 32.97921 33.03757 34.87449 34.90027 35.09527 43.08794 119.81250 2-A. 4.3619 -6.2195 -2.0748 7.8749 -116.8436 -123.8899 -122.2268 1.2661 -4.6056 3.2487 4.1432 -2.9032 -1.2400 1.2661 -4.6056 3.2487 11.7180 58.1851 9.4816 13.1197 20.2331 -18.0131 12.5024 24.6803 -9.8035 10.5803 -4822.2556 -2011.6897 -1165.4812 34.0754 -38.4623 -62.0724 83.3576 -19.9427 -7.2933 -1186.1343 -979.8844 -515.1372 -10.6825 -40.3566 1.8551 (A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(A)|(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) GINC-NODO01 NSF 2024-09-28T00:00:00.000 0 coments 0 2 Version=ES64L-G16RevC.02 State=2-A HF=-939.0053729 S2=0.755056 S2-1=0. S2A=0.750021 RMSD=7.338e-09 Dipole=0.9766221,2.717269,1.1232119 Quadrupole=3.9262138,-3.2586929,-0.6675208,1.285549,1.6727069,2.872776 PG=C01 [X(C13H19B1I1N2)] 0 -3.501969883 -0.6118114275 1.0338805669 0 -3.6884902445 0.2491616532 -0.0458981217 0 -2.5806921182 0.686186668 -0.7738767704 0 -1.3018662513 0.2620246123 -0.4177801965 0 -1.0837077891 -0.6043445581 0.6696046083 0 -2.2159553131 -1.0275289704 1.3835409938 0 -4.3634488997 -0.9640174836 1.6068505675 0 -2.7166311149 1.3533882541 -1.628826355 0 -0.4474272447 0.5997733734 -1.0128635796 0 -2.0839494502 -1.7044793062 2.232065415 0 0.3857299044 -1.0500155212 1.1365550378 0 1.305629107 0.2372950138 1.4286280424 0 3.0373908431 1.6048334903 1.838850675 0 1.8982582488 2.3148113025 2.0496026791 0 4.0795159792 1.8980288674 1.9058872791 0 1.7476024231 3.3469554659 2.3477773322 0 2.6402089081 0.3390128147 1.469282682 0 0.8553006322 1.4486565617 1.787563973 0 -0.1380082544 1.6578029618 1.8113061566 0 0.3871253779 -1.7371033226 2.1439419827 0 1.5212441751 -2.2935788256 -0.4406530544 0 3.6726604084 1.8852542687 -1.2222650614 0 4.5860524405 0.7295917711 -1.4692933621 0 4.0707880386 -0.234506012 -1.3272111253 0 4.972548117 0.7241867256 -2.5098638205 0 5.4739950478 0.7596446827 -0.8145431158 0 2.2351727324 1.777153919 -1.6110922138 0 1.8705587364 0.7406052923 -1.5328819532 0 1.5968947629 2.4245499122 -0.9842075354 0 2.0648781589 2.0978314603 -2.6597330996 0 4.256016557 3.2441986224 -1.0114246501 0 3.5563654097 3.9080350937 -0.4762099829 0 5.2003273001 3.20571475 -0.4433777584 0 4.4900300817 3.746367143 -1.9732452249 0 3.2335163891 -0.426515707 1.1584841802 0 -4.6935963465 0.5751527941 -0.3239524804