PM7 Accuracy

2-methyl-2-propenic acid   1079 2-Methyl-2-propenic acid

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
  1069 beta-PropiolactoneC3H4O2
  1070 1,3-DioxalaneC3H6O2
  1071 Ethyl formateC3H6O2
  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 acid C4H6O2
  1080 DiacetylC4H6O2
  1081 gamma ButyrolactoneC4H6O2
  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


DHf: -87.8 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-Methyl-2-propenic acid
 H=-87.79 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.48742072  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.33437351  1  124.4019637  1    0.0000000  0     1     2     0
  C     1.47803049  1  113.4898159  1 -179.9638709  1     1     2     3
  O     1.20430948  1  128.2916911  1    0.3854641  1     4     1     2
  O     1.36181815  1  111.8520709  1 -179.9939025  1     4     1     5
  H     1.10295884  1  111.3780957  1  120.6939177  1     2     1     3
  H     1.10293439  1  111.3861945  1  118.2302185  1     2     1     7
  H     1.09760673  1  112.8408981  1  120.8705972  1     2     1     8
  H     1.08405733  1  123.5731687  1 -179.9896720  1     3     1     2
  H     1.08094650  1  123.4404967  1 -179.9936721  1     3     1    10
  H     0.98904300  1  113.1525348  1 -179.9999109  1     6     4     1