Accuracy

cis dimethylthiirane   2082 cis Dimethylthiirane

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    #  Species Formula
  2072 ThioethanolC2H6S
  2073 (CH3)2S-BH3H9BC2S
  2074 ThietaneC3H6S
  2075 1-PropanthiolC3H8S
  2076 IsopropanthiolC3H8S
  2077 MethylethylthioetherC3H8S
  2078 ThiopheneC4H4S
  2079 Thiophene (Geo)C4H4S
  2080 2,3-DihydrothiopheneC4H6S
  2081 2,5-DihydrothiopheneC4H6S
  2082 cis Dimethylthiirane C4H8S
  2083 TetrahydrothiopheneC4H8S
  2084 trans dimethylthiiraneC4H8S
  2085 ButanethiolC4H10S
  2086 Diethyl thioetherC4H10S
  2087 MethylpropylthioetherC4H10S
  2088 (CH3CH2)2S-BH3H13BC4S
  2089 CyclopentanthiolC5H10S
  2090 ThiacyclohexaneC5H10S
  2091 ThiophenolC6H6S
  2092 CyclohexanethiolC6H12S


ΔHf: 2.7 kcal/mol,     REF: H. Mackle, P. A. G. O'Hare, Tetrahedron, 19, 961 (1963).
  
 PM7
cis Dimethylthiirane
 H=2.7 HR=MO1963
  C    -0.02804318 +1   0.00637785 +1   0.01259268 +1
  S     1.84284949 +1   0.00255904 +1  -0.10883641 +1
  C     0.57203228 +1   1.37642406 +1   0.00156106 +1
  C    -0.66769331 +1  -0.57323827 +1   1.23714024 +1
  C     0.57600069 +1   2.25575721 +1   1.21525142 +1
  H    -0.53748182 +1  -0.31668800 +1  -0.91143892 +1
  H     0.45616306 +1   1.95779456 +1  -0.92871731 +1
  H    -0.19079011 +1  -0.25559589 +1   2.17478217 +1
  H    -1.72637621 +1  -0.27972383 +1   1.30272464 +1
  H    -0.63631854 +1  -1.67377307 +1   1.22479419 +1
  H     0.66793001 +1   1.70133544 +1   2.15997746 +1
  H     1.40986463 +1   2.97424278 +1   1.18908868 +1
  H    -0.35407538 +1   2.84103946 +1   1.27905681 +1