PM7 Accuracy

lysine   1293 Lysine

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    #  Species Formula
  1283 OxalamideC2H4N2O2
  1284 HCONH2-HCONH2 (Geo)C2H6N2O2
  1285 N-NitrodimethylamineC2H6N2O2
  1286 Acetyl-ureaC3H6N2O2
  1287 PropanediamideC3H6N2O2
  1288 Pyrazine-1,4-dioxideC4H4N2O2
  1289 UracilC4H4N2O2
  1290 ThymineC5H6N2O2
  1291 m-NitroanilineC6H6N2O2
  1292 p-NitroanilineC6H6N2O2
  1293 Lysine C6H14N2O2
  1294 IsophthalamideC8H8N2O2
  1295 TeraphthalamideC8H8N2O2
  1296 N,N-Dimethyl-m-nitroanilineC8H10N2O2
  1297 N,N-Dimethyl-p-nitroanilineC8H10N2O2
  1298 TryptophanC11H12N2O2
  1299 Be(II)N2O2 (XEFSEG) (Geo)H16BeC22N2O2
  1300 Imidodicarbonic diamideC2H5N3O2
  1301 HistidineC6H9N3O2
  1302 ArgenineC6H14N4O2
  1303 Ozone (Geo)O3


DHf: -102.5 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 PM7
Lysine
 HR=PW91D H=-102.5
  H    -0.07647499  1  -0.04395370  1   0.03752638  1
  N     0.08636901  1   0.20784713  1   0.99986136  1
  C     0.61250670  1   1.56949513  1   1.14670352  1
  C     1.99045126  1   1.69575071  1   0.50239385  1
  O     2.81416139  1   0.83316116  1   0.35554717  1
  C     0.73993911  1   1.91052179  1   2.64462961  1
  C     0.93610901  1   3.41420297  1   2.85442493  1
  C     1.09568841  1   3.73218853  1   4.34354221  1
  C     1.26894955  1   5.25120874  1   4.54633633  1
  N     1.39767591  1   5.65002544  1   5.95919543  1
  H     0.68450555  1  -0.48592423  1   1.42565738  1
  H    -0.10342216  1   2.28186293  1   0.65157487  1
  H     0.57920308  1   5.41461272  1   6.49475578  1
  H     2.20173160  1   5.23352763  1   6.39815513  1
  H     2.17072250  1   5.61227866  1   4.00370519  1
  H     0.40434564  1   5.80011897  1   4.11220890  1
  H     0.21593607  1   3.37184380  1   4.90728288  1
  H     1.96677761  1   3.19288084  1   4.75874330  1
  H     1.82238767  1   3.77181441  1   2.29194930  1
  H     0.07544893  1   3.97221828  1   2.43638958  1
  H    -0.18237080  1   1.56957660  1   3.16285153  1
  H     1.56674539  1   1.33838952  1   3.10615590  1
  O     2.20149803  1   2.95752427  1   0.05729090  1
  H     3.08229604  1   3.09367235  1  -0.37086485  1