PM7 Accuracy

methyl 2-methylbutanoate   1112 Methyl 2-methylbutanoate

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    #  Species Formula
  1102 2,4-HexanedioneC6H10O2
  1103 2-OxepanoneC6H10O2
  1104 3-Methyl-2,4-pentandioneC6H10O2
  1105 Ethyl-(E)-2-butenoateC6H10O2
  1106 1,1-Dimethoxy-2-buteneC6H12O2
  1107 4-Hydroxy-4-methylpentan-2-oneC6H12O2
  1108 5,5-Dimethyl-1,3-dioxaneC6H12O2
  1109 cis-2,4-Dimethyl-1,3-dioxaneC6H12O2
  1110 Ethyl butanoateC6H12O2
  1111 Hexanoic acidC6H12O2
  1112 Methyl 2-methylbutanoate C6H12O2
  1113 Methyl 2,2-dimethyl-propanoateC6H12O2
  1114 Methyl 3-methylbutanoateC6H12O2
  1115 Methyl pentanoateC6H12O2
  1116 t-Butyl acetateC6H12O2
  1117 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1118 1,1-Diethoxy ethaneC6H14O2
  1119 1,1-Dimethoxy-butaneC6H14O2
  1120 1,2-Diethoxy ethaneC6H14O2
  1121 1,6-HexanediolC6H14O2
  1122 2,3-Dimethyl-2,3-butanediolC6H14O2


DHf: -117.7 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-methylbutanoate
 H=-117.7 HR=NIST
  C    -0.00068111  1   0.00231707  1  -0.00922696  1
  C     1.48423391  1  -0.04433332  1   0.34232895  1
  C     2.00312711  1   1.34462561  1   0.75258201  1
  C     3.51246164  1   1.29276919  1   0.77367339  1
  O     4.00216203  1   2.29145388  1  -0.00780270  1
  C     5.41855121  1   2.39557690  1  -0.09125482  1
  O     4.22584466  1   0.52254070  1   1.35934154  1
  C     1.53370178  1   1.75443326  1   2.14866224  1
  H    -0.20331372  1   0.71801383  1  -0.81415070  1
  H    -0.61050922  1   0.29235663  1   0.85399426  1
  H    -0.35865185  1  -0.97773841  1  -0.34576413  1
  H     2.06185209  1  -0.42295650  1  -0.52449468  1
  H     1.66608497  1  -0.77247073  1   1.15849431  1
  H     1.65927317  1   2.10509886  1   0.00511748  1
  H     5.83870032  1   2.60516663  1   0.89801177  1
  H     5.84381695  1   1.47203200  1  -0.49754272  1
  H     5.56638040  1   3.23886116  1  -0.77579529  1
  H     1.88851219  1   1.05318558  1   2.91716512  1
  H     1.89765845  1   2.75267214  1   2.42079291  1
  H     0.43866868  1   1.77747671  1   2.20517467  1