PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

2,5-dihydrothiophene   2082 2,5-Dihydrothiophene

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    #  Species Formula
  2072 Dimethyl thioether (Geo)C2H6S
  2073 ThioethanolC2H6S
  2074 (CH3)2S-BH3H9BC2S
  2075 ThietaneC3H6S
  2076 1-PropanthiolC3H8S
  2077 IsopropanthiolC3H8S
  2078 MethylethylthioetherC3H8S
  2079 ThiopheneC4H4S
  2080 Thiophene (Geo)C4H4S
  2081 2,3-DihydrothiopheneC4H6S
  2082 2,5-Dihydrothiophene C4H6S
  2083 cis DimethylthiiraneC4H8S
  2084 TetrahydrothiopheneC4H8S
  2085 trans dimethylthiiraneC4H8S
  2086 ButanethiolC4H10S
  2087 Diethyl thioetherC4H10S
  2088 MethylpropylthioetherC4H10S
  2089 (CH3CH2)2S-BH3H13BC4S
  2090 CyclopentanthiolC5H10S
  2091 ThiacyclohexaneC5H10S
  2092 ThiophenolC6H6S


ΔHf: 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