PM7 Accuracy

2,5-dihydrothiophene   2084 2,5-Dihydrothiophene

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    #  Species Formula
  2074 Dimethyl thioether (Geo)C2H6S
  2075 ThioethanolC2H6S
  2076 (CH3)2S-BH3H9BC2S
  2077 ThietaneC3H6S
  2078 1-PropanthiolC3H8S
  2079 IsopropanthiolC3H8S
  2080 MethylethylthioetherC3H8S
  2081 ThiopheneC4H4S
  2082 Thiophene (Geo)C4H4S
  2083 2,3-DihydrothiopheneC4H6S
  2084 2,5-Dihydrothiophene C4H6S
  2085 cis DimethylthiiraneC4H8S
  2086 TetrahydrothiopheneC4H8S
  2087 trans dimethylthiiraneC4H8S
  2088 ButanethiolC4H10S
  2089 Diethyl thioetherC4H10S
  2090 MethylpropylthioetherC4H10S
  2091 (CH3CH2)2S-BH3H13BC4S
  2092 CyclopentanthiolC5H10S
  2093 ThiacyclohexaneC5H10S
  2094 ThiophenolC6H6S


DHf: 20.9 kcal/mol,     REF: J. V. Davis, S. Sunner, Acta Chem. Scand., 16, 1870 (1962).
  
 PM7
2,5-Dihydrothiophene
 H=20.9 HR=DS1962
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.48879051  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.33892448  1  117.5470020  1    0.0000000  0     2     1     0
  C     1.48897359  1  117.5716585  1   -0.0069666  1     3     2     1
  S     1.84904233  1  105.1605307  1    0.0504185  1     4     3     2
  H     1.10521966  1  112.3349814  1  119.6334809  1     4     3     2
  H     1.10522795  1  112.3209355  1 -119.5157671  1     4     3     2
  H     1.08310887  1  124.6833656  1 -179.9969338  1     3     2     1
  H     1.08305627  1  124.6978564  1  179.9968704  1     2     3     4
  H     1.10511803  1  112.3815918  1  119.4998013  1     1     2     3
  H     1.10512223  1  112.3895891  1 -119.6117790  1     1     2     3