PM7 Accuracy

dimethyl thioether   2073 Dimethyl thioether

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    #  Species Formula
  2063 ThioformaldehydeCH2S
  2064 Methanethio radicalCH3S
  2065 Thiomethanol (Geo)CH4S
  2066 ThiomethanolCH4S
  2067 CH3-B=S (Geo)H3BCS
  2068 Thioketene, H2CCSC2H2S
  2069 C2H3SC2H3S
  2070 Thioacetaldehyde (Geo)C2H4S
  2071 ThiiraneC2H4S
  2072 Thioethanol (Geo)C2H6S
  2073 Dimethyl thioether C2H6S
  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


DHf: -8.9 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
Dipole: 1.5 Debye,     REF: A. L. McClellan, "Tables of Experimental Dipole Moments," Freeman, San Francisco, 1963.
I.P.: 8.6 eV,     REF: H. M. Rosenstock, K. Draxl, B. W. Steiner, J. T. Herron, "Energetics of Gaseous Ions," J. Phys. Ref. Data, 6 Suppl. 1 (1977).
  
 SYMMETRY PM7
Dimethyl thioether
 D=1.5 I=8.65 H=-8.9 HR=C&P1970 IR=RDSH1977 DR=MCC1963
  S     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
 XX     5.00000000  0    0.0000000  0    0.0000000  0     1     0     0
 XX     5.00000000  0   90.0000000  0    0.0000000  0     2     1     0
  C     1.82068320  1   51.1971300  1    0.0000000  0     1     2     3
  C     1.82068320  0   51.1971300  0  180.0000000  0     1     2     3
 XX     5.00000000  0  127.6000000  0    0.0000000  0     5     1     2
 XX     5.00000000  0  127.6000000  0    0.0000000  0     4     1     2
  H     1.09719423  1  107.9639230  1  180.0000000  0     4     1     5
  H     1.09719423  0  107.9639230  0  180.0000000  0     5     1     4
  H     1.09386787  1   54.3382872  1   91.7773654  1     4     7     1
  H     1.09386787  0   54.3382872  0  -91.7773654  0     4     7     1
  H     1.09386787  0   54.3382872  0  -91.7773654  0     5     6     1
  H     1.09386787  0   54.3382872  0   91.7773654  0     5     6     1
 
   4  1    5
   4  2    5
   6  2    7
   8  1    9
   8  2    9
  10  1   11   12   13
  10  2   11   12   13
  10  3   13
  10 14   11   12