PM7 Accuracy

methyl 2-propenoate   1082 Methyl 2-propenoate

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    #  Species Formula
  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
  1082 Methyl 2-propenoate C4H6O2
  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 propionateC5H10O2


DHf: -79.6 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
Methyl 2-propenoate
 H=-79.59 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.33346250  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.47260908  1  120.0990908  1    0.0000000  0     2     1     0
  O     1.36067131  1  109.7093347  1  179.8867532  1     3     2     1
  C     1.42316984  1  115.9627309  1  179.9299639  1     4     3     2
  O     1.20528594  1  128.1133034  1 -179.9819622  1     3     2     4
  H     1.08630780  1  123.2079514  1   -0.0019477  1     1     2     3
  H     1.08227821  1  123.4085588  1  179.9989947  1     1     2     7
  H     1.09012662  1  123.7046055  1  179.9986907  1     2     1     3
  H     1.09559083  1  110.2112388  1  -61.8554062  1     5     4     3
  H     1.09562036  1  110.3510933  1  121.9938946  1     5     4    10
  H     1.09629931  1  103.0904581  1  119.0325626  1     5     4    11