PM7 Accuracy

cs2r   2244 Carbon disulfide (Geo)

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    #  Species Formula
  2234 Phosphorus sulfidePS
  2235 Thiophosphoryl fluoride (Geo)F3PS
  2236 Sulfur dimer (Geo)S2
  2237 Sulfur dimerS2
  2238 HS2HS2
  2239 H2S2 (Geo)H2S2
  2240 Hydrogen disulfideH2S2
  2241 BS2BS2
  2242 S-B-B-SB2S2
  2243 Carbon disulfideCS2
  2244 Carbon disulfide (Geo) CS2
  2245 CH3SSHCH4S2
  2246 (CH3)2S=SC2H6S2
  2247 1,2-EthanedithiolC2H6S2
  2248 2,3-DithiabutaneC2H6S2
  2249 CH3SCH2SHC2H6S2
  2250 2,3-Dithiabutane (Geo)C2H6S2
  2251 Ethanedithiol-1,2C2H6S2
  2252 2,3-Dithiabutane (Geo)C2H6S2
  2253 Propane-1,3-dithiolC3H8S2
  2254 (C2H5S)2C4H10S2


REF: J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, C. S. Pote, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 7, Springer, Berlin (1976).
  
 SYMMETRY PM7
Carbon disulfide
 GWT=0.5 GR=CHKL1976 <C-S>
  S     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.55300000  1    0.0000000  0    0.0000000  0     1     0     0
  S     1.52272825  0  180.0000000  1    0.0000000  0     2     1     0
 
   2  1    3