Accuracy

thiophener   2079 Thiophene (Geo)

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    #  Species Formula
  2069 Thioethanol (Geo)C2H6S
  2070 Dimethyl thioetherC2H6S
  2071 Dimethyl thioether (Geo)C2H6S
  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 DimethylthiiraneC4H8S
  2083 TetrahydrothiopheneC4H8S
  2084 trans dimethylthiiraneC4H8S
  2085 ButanethiolC4H10S
  2086 Diethyl thioetherC4H10S
  2087 MethylpropylthioetherC4H10S
  2088 (CH3CH2)2S-BH3H13BC4S
  2089 CyclopentanthiolC5H10S


REF: B. Bak, D. Christensen, L. Hansen-Nygarrd, J. Rastrup-Anderson, J. Mol. Spectrosc., 7, 58 (1961).
  
 SYMMETRY PM7
Thiophene
 GR=BCHR1961 <C-S> <C-C-S> <C3-C2> <C-C-C>
 
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.71400000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.71400000 +0   92.2000000 +1    0.0000000 +0     1     2     0
  C     1.37000000 +1  111.5000000 +1    0.0000000 +0     2     1     3
  C     1.36676623 +1  111.7163652 +1    0.0000000 +0     3     1     2
  H     1.07679636 +1  122.2747460 +1  180.0000000 +0     2     1     3
  H     1.07744769 +1  122.0628828 +1  180.0000000 +0     3     1     2
  H     1.07801872 +1  122.4991993 +1  180.0000000 +0     4     5     1
  H     1.07814514 +1  122.4567331 +1  180.0000000 +0     5     4     1
 
   2  1    3