PM7 Accuracy

1,1-diethoxy ethane   1118 1,1-Diethoxy ethane

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    #  Species Formula
  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-methylbutanoateC6H12O2
  1115 Methyl pentanoateC6H12O2
  1116 t-Butyl acetateC6H12O2
  1117 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1118 1,1-Diethoxy ethane C6H14O2
  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
  1125 Benzoic acidC7H6O2
  1126 Phenyl formateC7H6O2
  1127 TropoloneC7H6O2
  1128 3-Methyl-1,2-benzenediolC7H8O2


DHf: -108.4 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-Diethoxy ethane
 H=-108.41 HR=NIST
  C    -0.01010953  1  -0.09482517  1  -0.07556300  1
  C     1.50634015  1  -0.13033586  1   0.06892625  1
  O     1.81649210  1   1.05153156  1   0.77369088  1
  C     3.19597061  1   1.34985544  1   0.88931736  1
  C     3.71960999  1   1.96311722  1  -0.40556212  1
  O     1.99188970  1  -1.25554475  1   0.74861002  1
  C     1.58634539  1  -1.44046624  1   2.09355392  1
  C     0.44787696  1  -2.45481561  1   2.14831142  1
  H    -0.39114759  1  -1.07147449  1  -0.39480443  1
  H    -0.49180424  1   0.16827305  1   0.87536868  1
  H    -0.31601915  1   0.65892132  1  -0.81018475  1
  H     2.06032763  1  -0.19796281  1  -0.89290888  1
  H     3.20145607  1   2.07930559  1   1.72228979  1
  H     3.76082277  1   0.44895493  1   1.18552730  1
  H     3.81423288  1   1.21595142  1  -1.20111588  1
  H     3.03642849  1   2.74197739  1  -0.76852197  1
  H     4.70347020  1   2.42081741  1  -0.25993706  1
  H     2.50690514  1  -1.83452329  1   2.56627411  1
  H     1.31848930  1  -0.48017461  1   2.56635465  1
  H    -0.50948044  1  -2.01039928  1   1.85862650  1
  H     0.64007505  1  -3.28712382  1   1.45806737  1
  H     0.33517318  1  -2.87140942  1   3.15417608  1