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

thioketene, h2ccs   2066 Thioketene, H2CCS

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    #  Species Formula
  2056 Boron sulfideBS
  2057 S=B-H (Geo)HBS
  2058 Carbon sulfideCS
  2059 Carbon sulfide (Geo)CS
  2060 Thioformaldehyde (Geo)CH2S
  2061 ThioformaldehydeCH2S
  2062 Methanethio radicalCH3S
  2063 Thiomethanol (Geo)CH4S
  2064 ThiomethanolCH4S
  2065 CH3-B=S (Geo)H3BCS
  2066 Thioketene, H2CCS C2H2S
  2067 C2H3SC2H3S
  2068 Thioacetaldehyde (Geo)C2H4S
  2069 ThiiraneC2H4S
  2070 Thioethanol (Geo)C2H6S
  2071 Dimethyl thioetherC2H6S
  2072 Dimethyl thioether (Geo)C2H6S
  2073 ThioethanolC2H6S
  2074 (CH3)2S-BH3H9BC2S
  2075 ThietaneC3H6S
  2076 1-PropanthiolC3H8S


I.P.: 8.9 eV,     REF: H. Bock, B. Solouki, G. Bert, P. Rosmus, J. Am. Chem. Soc., 99, 1663 (1977).
  
 SYMMETRY PM7
Thioketene, H2CCS
 I=8.89 IR=BSBR1977
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51177375 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.30596759 +1  180.0000000 +0    0.0000000 +0     2     1     0
  H     1.08238329 +1  124.0973449 +1   90.0000000 +1     3     2     1
  H     1.08238329 +1  124.0973449 +1  180.0000000 +1     3     2     4