PM7 Accuracy

methylethylthioether   2080 Methylethylthioether

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    #  Species Formula
  2070 Thioacetaldehyde (Geo)C2H4S
  2071 ThiiraneC2H4S
  2072 Thioethanol (Geo)C2H6S
  2073 Dimethyl thioetherC2H6S
  2074 Dimethyl thioether (Geo)C2H6S
  2075 ThioethanolC2H6S
  2076 (CH3)2S-BH3H9BC2S
  2077 ThietaneC3H6S
  2078 1-PropanthiolC3H8S
  2079 IsopropanthiolC3H8S
  2080 Methylethylthioether C3H8S
  2081 ThiopheneC4H4S
  2082 Thiophene (Geo)C4H4S
  2083 2,3-DihydrothiopheneC4H6S
  2084 2,5-DihydrothiopheneC4H6S
  2085 cis DimethylthiiraneC4H8S
  2086 TetrahydrothiopheneC4H8S
  2087 trans dimethylthiiraneC4H8S
  2088 ButanethiolC4H10S
  2089 Diethyl thioetherC4H10S
  2090 MethylpropylthioetherC4H10S


DHf: -14.2 kcal/mol,     REF: H. Mackle, P. A. G. O'Hare, Tetrahedron, 19, 961 (1963).
  
 PM7
Methylethylthioether
 H=-14.2 HR=MO1963
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  S     1.82223158  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.84243469  1  101.8595120  1    0.0000000  0     2     1     0
  C     1.51913887  1  108.8617379  1  179.9280885  1     3     2     1
  H     1.09906075  1  110.6743327  1 -179.9212826  1     4     3     2
  H     1.09876251  1  112.4509214  1   60.7225965  1     4     3     2
  H     1.09877711  1  112.4633469  1  -60.5583663  1     4     3     2
  H     1.10426285  1  109.7029522  1   58.4753500  1     3     2     1
  H     1.10427451  1  109.6915395  1  -58.6136857  1     3     2     1
  H     1.09729951  1  107.8957120  1 -179.8620264  1     1     2     3
  H     1.09370419  1  112.0391984  1   61.3910484  1     1     2     3
  H     1.09370893  1  112.0551370  1  -61.1037552  1     1     2     3