PM7 Accuracy

o-dinitrobenzene   1421 o-Dinitrobenzene

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    #  Species Formula
  1411 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1412 p-Diacetylbenzene diethyl ketalC18H30O4
  1413 Aspartic acidC4H7NO4
  1414 Glutamic acidC5H9NO4
  1415 4-NitrocatecholC6H5NO4
  1416 p-Nitrobenzoic acidC7H5NO4
  1417 Dinitrogen tetroxideN2O4
  1418 Dinitrogen tetroxide (Geo)N2O4
  1419 DinitromethaneCH2N2O4
  1420 m-DinitrobenzeneC6H4N2O4
  1421 o-Dinitrobenzene C6H4N2O4
  1422 p-DinitrobenzeneC6H4N2O4
  1423 2,4-DinitrotolueneC7H6N2O4
  1424 DinitrophenylmethaneC7H6N2O4
  1425 N,N'-Bis(m-methoxyphenyl) terephthalamideC22H20N2O4
  1426 N,N'-Bis(o-methoxyphenyl) terephthalamideC22H20N2O4
  1427 N,N'-Bis(p-methoxyphenyl) terephthalamideC22H20N2O4
  1428 MethyldinitramineCH3N3O4
  1429 LiHCO3.2H2OH5LiCO5
  1430 LiHCO3.2H2O (Geo)H5LiCO5
  1431 Tartronic acidC3H4O5


DHf: 20.2 kcal/mol,     REF: D. Hwang, M. Tamura, T. Yoshida, N. Tanaka, F. Hosoya, J. Energetic Matls, (1989) in press.
  
 PM7
o-Dinitrobenzene
 H=20.2 HR=HTYT1989
  C     0.00312599  1  -0.00308703  1   0.00663601  1
  C     1.40182733  1   0.00842822  1  -0.02200409  1
  C     2.12240685  1   1.20295432  1  -0.05541230  1
  C     1.40309249  1   2.39898277  1  -0.05638835  1
  C    -0.68918282  1   1.20530101  1   0.00553598  1
  C     0.00444212  1   2.41297662  1  -0.02469186  1
  H    -0.53906808  1  -0.95708078  1   0.02976806  1
  N     2.12321254  1  -1.26029406  1  -0.01467100  1
  H    -1.78055495  1   1.20621229  1   0.02871086  1
  H     3.22487600  1   1.20212859  1  -0.08057316  1
  H    -0.53700534  1   3.36755854  1  -0.02350828  1
  N     2.12661849  1   3.66581986  1  -0.09122197  1
  O     3.34292704  1   3.62807143  1  -0.14302828  1
  O     1.47146630  1   4.69400841  1  -0.06627880  1
  O     1.46511823  1  -2.28678506  1  -0.00630988  1
  O     3.34055954  1  -1.22543714  1  -0.01622034  1