PM7 Accuracy

ethyl propionate   1092 Ethyl propionate

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    #  Species Formula
  1082 Methyl 2-propenoateC4H6O2
  1083 1,1 Dimethoxy etheneC4H8O2
  1084 1,3 DioxanC4H8O2
  1085 1,4-DioxaneC4H8O2
  1086 Ethyl acetateC4H8O2
  1087 1,2-DimethoxyethaneC4H10O2
  1088 1,4 ButandiolC4H10O2
  1089 Diethyl peroxideC4H10O2
  1090 Dimethyl acetalC4H10O2
  1091 AcetylacetoneC5H8O2
  1092 Ethyl propionate C5H10O2
  1093 Isopropyl acetateC5H10O2
  1094 1,5 PentandiolC5H12O2
  1095 p-BenzoquinoneC6H4O2
  1096 p-Benzoquinone (Geo)C6H4O2
  1097 1,2-BenzenediolC6H6O2
  1098 HydroquinoneC6H6O2
  1099 ResorcinolC6H6O2
  1100 1,3-CyclohexanedioneC6H8O2
  1101 1,4-CyclohexanedioneC6H8O2
  1102 2,4-HexanedioneC6H10O2


DHf: -111.5 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 propionate
 H=-111.5 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52328453  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.50018527  1  110.1780293  1    0.0000000  0     2     1     0
  C     2.37387849  1  141.8846696  1 -179.9870227  1     3     2     1
  C     1.52063885  1  135.0039908  1    0.0932286  1     4     3     2
  O     1.35762525  1  109.1075644  1    0.0044581  1     3     2     4
  O     1.20322875  1  128.7617231  1  179.9883282  1     3     2     6
  H     1.09894180  1  111.4716117  1  -59.4130816  1     1     2     3
  H     1.09895458  1  111.4573630  1  118.7873384  1     1     2     8
  H     1.09556561  1  111.4962974  1  120.5988616  1     1     2     9
  H     1.11111723  1  111.0656242  1  121.6547203  1     2     1     3
  H     1.11136125  1  111.0143902  1  116.7025477  1     2     1    11
  H     1.10423893  1   91.5191042  1 -125.3355799  1     4     3     5
  H     1.10424786  1   91.4867870  1 -109.4478395  1     4     3    13
  H     1.09793135  1  111.2508345  1  -59.6320559  1     5     4     3
  H     1.09792674  1  111.2425548  1  119.0602202  1     5     4    15
  H     1.09561587  1  111.1251255  1  120.4604350  1     5     4    16