PM7 Accuracy

1,1-dimethoxy-butane   1119 1,1-Dimethoxy-butane

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    #  Species Formula
  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-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-butane C6H14O2
  1120 1,2-Diethoxy ethaneC6H14O2
  1121 1,6-HexanediolC6H14O2
  1122 2,3-Dimethyl-2,3-butanediolC6H14O2
  1123 DihydoxyphenylboraneH7BC6O2
  1124 3-(2-Furanyl)-2-propenalC7H6O2
  1125 Benzoic acidC7H6O2
  1126 Phenyl formateC7H6O2
  1127 TropoloneC7H6O2
  1128 3-Methyl-1,2-benzenediolC7H8O2
  1129 4-Methyl 1,2-BenzenediolC7H8O2


DHf: -101.7 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
1,1-Dimethoxy-butane
 H=-101.7 HR=NIST
  C     0.02382660  1   0.16291747  1   0.18930394  1
  O     1.43410223  1   0.16974998  1   0.13688264  1
  C     2.04800692  1   1.43910593  1   0.11254384  1
  O     2.20925092  1   1.87237504  1  -1.22163961  1
  C     1.12715820  1   2.58736068  1  -1.77663136  1
  C     3.48473224  1   1.17263014  1   0.58552518  1
  C     3.52451240  1   0.97229350  1   2.10219948  1
  C     4.95871644  1   0.72678767  1   2.57142357  1
  H    -0.35393524  1   0.77176410  1   1.01553013  1
  H    -0.40269790  1   0.48518776  1  -0.76509756  1
  H    -0.20751423  1  -0.89649692  1   0.36381143  1
  H     1.48675281  1   2.17754576  1   0.71458971  1
  H     0.27964202  1   1.92239808  1  -1.96639546  1
  H     0.83586199  1   3.43099992  1  -1.14504957  1
  H     1.53649712  1   2.95028482  1  -2.72962982  1
  H     4.13656365  1   2.01052249  1   0.27453242  1
  H     3.87700296  1   0.27497730  1   0.06404745  1
  H     3.10105013  1   1.85253029  1   2.62124709  1
  H     2.88082582  1   0.11346535  1   2.38088052  1
  H     5.38975916  1  -0.15662487  1   2.08579037  1
  H     5.60762570  1   1.57936611  1   2.34177035  1
  H     5.00173560  1   0.55977148  1   3.65319185  1