PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

ethyl formate   1069 Ethyl formate

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    #  Species Formula
  1059 Dimethyl peroxideC2H6O2
  1060 Ethylene glycolC2H6O2
  1061 H2O - CH3OCH3 (Geo)C2H8O2
  1062 DimethoxyboraneH7BC2O2
  1063 Carbon suboxide (Geo)C3O2
  1064 Carbon suboxideC3O2
  1065 2-Oxo-propanalC3H4O2
  1066 2-Propenoic acidC3H4O2
  1067 beta-PropiolactoneC3H4O2
  1068 1,3-DioxalaneC3H6O2
  1069 Ethyl formate C3H6O2
  1070 Methyl acetateC3H6O2
  1071 Propionic acidC3H6O2
  1072 1,3-PropanediolC3H8O2
  1073 2-MethoxyethanolC3H8O2
  1074 DimethoxymethaneC3H8O2
  1075 Propylene glycolC3H8O2
  1076 2-Butenoic acidC4H6O2
  1077 2-Methyl-2-propenic acidC4H6O2
  1078 DiacetylC4H6O2
  1079 gamma ButyrolactoneC4H6O2


ΔHf: -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