PM7 Accuracy

2-oxo-propanal   1067 2-Oxo-propanal

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    #  Species Formula
  1057 Acetic acidC2H4O2
  1058 Acetic acidC2H4O2
  1059 Methyl formate (Geo)C2H4O2
  1060 Methyl formateC2H4O2
  1061 Dimethyl peroxideC2H6O2
  1062 Ethylene glycolC2H6O2
  1063 H2O - CH3OCH3 (Geo)C2H8O2
  1064 DimethoxyboraneH7BC2O2
  1065 Carbon suboxide (Geo)C3O2
  1066 Carbon suboxideC3O2
  1067 2-Oxo-propanal C3H4O2
  1068 2-Propenoic acidC3H4O2
  1069 beta-PropiolactoneC3H4O2
  1070 1,3-DioxalaneC3H6O2
  1071 Ethyl formateC3H6O2
  1072 Methyl acetateC3H6O2
  1073 Propionic acidC3H6O2
  1074 1,3-PropanediolC3H8O2
  1075 2-MethoxyethanolC3H8O2
  1076 DimethoxymethaneC3H8O2
  1077 Propylene glycolC3H8O2


DHf: -64.8 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
2-Oxo-propanal
 H=-64.8 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.20210866  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52634441  1  120.1284911  1    0.0000000  0     2     1     0
  C     1.48793401  1  115.6950234  1  -57.2568999  1     3     2     1
  O     1.20222279  1  119.6952833  1 -179.6784155  1     3     2     4
  H     1.09450145  1  123.0159182  1  179.6478461  1     2     1     3
  H     1.09912448  1  112.2364528  1  -60.7177204  1     4     3     2
  H     1.10416717  1  110.8003987  1  119.3817685  1     4     3     7
  H     1.10152123  1  111.9008501  1  119.7851077  1     4     3     8