PM7 Accuracy

2,3-dihydrothiophene   2083 2,3-Dihydrothiophene

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    #  Species Formula
  2073 Dimethyl thioetherC2H6S
  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-Dihydrothiophene C4H6S
  2084 2,5-DihydrothiopheneC4H6S
  2085 cis DimethylthiiraneC4H8S
  2086 TetrahydrothiopheneC4H8S
  2087 trans dimethylthiiraneC4H8S
  2088 ButanethiolC4H10S
  2089 Diethyl thioetherC4H10S
  2090 MethylpropylthioetherC4H10S
  2091 (CH3CH2)2S-BH3H13BC4S
  2092 CyclopentanthiolC5H10S
  2093 ThiacyclohexaneC5H10S


DHf: 21.8 kcal/mol,     REF: J. V. Davis, S. Sunner, Acta Chem. Scand., 16, 1870 (1962).
  
 PM7
2,3-Dihydrothiophene
 H=21.8 HR=DS1962
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53502720  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.50199103  1  109.5192153  1    0.0000000  0     2     1     0
  C     1.33457367  1  116.9636237  1    0.0806600  1     3     2     1
  S     1.76669806  1  113.2361700  1   -0.0063890  1     4     3     2
  H     1.07763030  1  127.8700337  1  179.9943130  1     4     3     2
  H     1.08163938  1  117.6267756  1 -179.9332189  1     3     2     1
  H     1.10955916  1  110.0813682  1  122.1096100  1     2     3     4
  H     1.10959153  1  110.0867579  1 -121.9846665  1     2     3     4
  H     1.10112693  1  112.0678233  1  119.6287821  1     1     2     3
  H     1.10108922  1  112.0800680  1 -119.8513401  1     1     2     3