Accuracy

1,1-diethoxy ethane   1114 1,1-Diethoxy ethane

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    #  Species Formula
  1104 5,5-Dimethyl-1,3-dioxaneC6H12O2
  1105 cis-2,4-Dimethyl-1,3-dioxaneC6H12O2
  1106 Ethyl butanoateC6H12O2
  1107 Hexanoic acidC6H12O2
  1108 Methyl 2-methylbutanoateC6H12O2
  1109 Methyl 2,2-dimethyl-propanoateC6H12O2
  1110 Methyl 3-methylbutanoateC6H12O2
  1111 Methyl pentanoateC6H12O2
  1112 t-Butyl acetateC6H12O2
  1113 trans 4,5-Dimethyl-1,3-dioxaneC6H12O2
  1114 1,1-Diethoxy ethane C6H14O2
  1115 1,1-Dimethoxy-butaneC6H14O2
  1116 1,2-Diethoxy ethaneC6H14O2
  1117 1,6-HexanediolC6H14O2
  1118 2,3-Dimethyl-2,3-butanediolC6H14O2
  1119 DihydoxyphenylboraneH7BC6O2
  1120 3-(2-Furanyl)-2-propenalC7H6O2
  1121 Benzoic acidC7H6O2
  1122 Phenyl formateC7H6O2
  1123 TropoloneC7H6O2
  1124 3-Methyl-1,2-benzenediolC7H8O2


ΔHf: -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