Accuracy

ch3ssh   2242 CH3SSH

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    #  Species Formula
  2232 Thiophosphoryl fluoride (Geo)F3PS
  2233 Sulfur dimer (Geo)S2
  2234 Sulfur dimerS2
  2235 HS2HS2
  2236 H2S2 (Geo)H2S2
  2237 Hydrogen disulfideH2S2
  2238 BS2BS2
  2239 S-B-B-SB2S2
  2240 Carbon disulfideCS2
  2241 Carbon disulfide (Geo)CS2
  2242 CH3SSH CH4S2
  2243 (CH3)2S=SC2H6S2
  2244 1,2-EthanedithiolC2H6S2
  2245 2,3-DithiabutaneC2H6S2
  2246 CH3SCH2SHC2H6S2
  2247 2,3-Dithiabutane (Geo)C2H6S2
  2248 Ethanedithiol-1,2C2H6S2
  2249 2,3-Dithiabutane (Geo)C2H6S2
  2250 Propane-1,3-dithiolC3H8S2
  2251 (C2H5S)2C4H10S2
  2252 1,4-ButanedithiolC4H10S2


ΔHf: -0.9 kcal/mol,     REF: J. J. Grabowski, L. Zhang, J. Am. Chem. Soc., 111, 1193 (1989).
  
 SYMMETRY PM7
CH3SSH
 H=-0.9 HR=GZ1989
 
  S     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.81460827 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09440088 +1  112.7821282 +1    0.0000000 +0     2     1     0
 XX     1.00000000 +0  138.5451528 +1 -175.2844641 +1     2     1     3
  H     1.09778216 +1   54.9408344 +1   84.9066431 +1     2     4     1
  H     1.09778216 +0   54.9408344 +0  -76.1867402 +1     2     4     1
  S     2.00227620 +1  108.9029583 +1  -65.4578782 +1     1     2     3
  H     1.34037328 +1  106.4540480 +1   87.1701591 +1     7     1     2
 
   5  1    6
   5  2    6