PM7 Accuracy

methyl 3-methylbutanoate   1114 Methyl 3-methylbutanoate

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    #  Species Formula
  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-methylbutanoateC6H12O2
  1113 Methyl 2,2-dimethyl-propanoateC6H12O2
  1114 Methyl 3-methylbutanoate C6H12O2
  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
  1123 DihydoxyphenylboraneH7BC6O2
  1124 3-(2-Furanyl)-2-propenalC7H6O2


DHf: -119.0 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 3-methylbutanoate
 H=-119.0 HR=NIST
  C    -0.02959193  1  -0.10362579  1  -0.15536829  1
  O     1.38322000  1   0.03795439  1  -0.06308338  1
  C     1.89738562  1   1.22335022  1  -0.49275563  1
  C     3.38826418  1   1.18377156  1  -0.36832855  1
  C     3.95992879  1   2.60312289  1  -0.19117672  1
  C     3.58195818  1   3.16671723  1   1.18121044  1
  C     5.48267118  1   2.55703722  1  -0.35264521  1
  O     1.19842607  1   2.10793282  1  -0.91219126  1
  H    -0.35496955  1   0.01003411  1  -1.19494598  1
  H    -0.52527358  1   0.63665741  1   0.48112909  1
  H    -0.20176639  1  -1.12268702  1   0.20880528  1
  H     3.80931523  1   0.70730160  1  -1.27996740  1
  H     3.70104504  1   0.53014436  1   0.47322975  1
  H     3.52743388  1   3.26625149  1  -0.98341567  1
  H     2.49225336  1   3.22571924  1   1.29825951  1
  H     3.97304178  1   2.55195306  1   1.99780665  1
  H     3.97394785  1   4.18154479  1   1.31392870  1
  H     5.94792937  1   1.89278933  1   0.38362625  1
  H     5.77049702  1   2.20636593  1  -1.34964620  1
  H     5.92407525  1   3.55124060  1  -0.21781066  1