Accuracy

2-oxo-propanal   1063 2-Oxo-propanal

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    #  Species Formula
  1053 Acetate, anionC2H3O2
  1054 Acetic acidC2H4O2
  1055 Methyl formate (Geo)C2H4O2
  1056 Methyl formateC2H4O2
  1057 Dimethyl peroxideC2H6O2
  1058 Ethylene glycolC2H6O2
  1059 H2O - CH3OCH3 (Geo)C2H8O2
  1060 DimethoxyboraneH7BC2O2
  1061 Carbon suboxide (Geo)C3O2
  1062 Carbon suboxideC3O2
  1063 2-Oxo-propanal C3H4O2
  1064 2-Propenoic acidC3H4O2
  1065 beta-PropiolactoneC3H4O2
  1066 1,3-DioxalaneC3H6O2
  1067 Ethyl formateC3H6O2
  1068 Methyl acetateC3H6O2
  1069 Propionic acidC3H6O2
  1070 1,3-PropanediolC3H8O2
  1071 2-MethoxyethanolC3H8O2
  1072 DimethoxymethaneC3H8O2
  1073 Propylene glycolC3H8O2


ΔHf: -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