PM7 Accuracy

ethyl formate   1071 Ethyl formate

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    #  Species Formula
  1061 Dimethyl peroxideC2H6O2
  1062 Ethylene glycolC2H6O2
  1063 H2O - CH3OCH3 (Geo)C2H8O2
  1064 DimethoxyboraneH7BC2O2
  1065 Carbon suboxide (Geo)C3O2
  1066 Carbon suboxideC3O2
  1067 2-Oxo-propanalC3H4O2
  1068 2-Propenoic acidC3H4O2
  1069 beta-PropiolactoneC3H4O2
  1070 1,3-DioxalaneC3H6O2
  1071 Ethyl formate C3H6O2
  1072 Methyl acetateC3H6O2
  1073 Propionic acidC3H6O2
  1074 1,3-PropanediolC3H8O2
  1075 2-MethoxyethanolC3H8O2
  1076 DimethoxymethaneC3H8O2
  1077 Propylene glycolC3H8O2
  1078 2-Butenoic acidC4H6O2
  1079 2-Methyl-2-propenic acidC4H6O2
  1080 DiacetylC4H6O2
  1081 gamma ButyrolactoneC4H6O2


DHf: -95.2 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
Ethyl formate
 H=-95.2 HR=NIST
  O     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  O     2.24915507  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.20153224  1   29.9106656  1    0.0000000  0     2     1     0
  C     1.42917448  1   92.0643639  1 -178.9780295  1     1     2     3
  C     1.51873359  1  110.1401020  1   77.2763760  1     4     1     2
  H     1.09012990  1  128.5034643  1 -179.4801812  1     3     2     1
  H     1.10662037  1  101.5073996  1  119.7454420  1     4     1     5
  H     1.10522897  1  109.2672505  1  116.3163533  1     4     1     7
  H     1.09991606  1  111.1832947  1  -68.0879804  1     5     4     1
  H     1.09697667  1  111.5013281  1  119.7594869  1     5     4     9
  H     1.09596608  1  111.3878256  1  120.4648535  1     5     4    10