Accuracy

ch3scl   1735 CH3SCl

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    #  Species Formula
  1725 Chlorine trifluorideF3Cl
  1726 Chlorine trifluoride (Geo)F3Cl
  1727 TrifluorochloromethaneCF3Cl
  1728 ChlorotrifluoroetheneC2F3Cl
  1729 Chlorine pentafluorideF5Cl
  1730 Chlorine pentafluoride (Geo)F5Cl
  1731 ChloropentafluoroethaneC2F5Cl
  1732 ChloropentafluorobenzeneC6F5Cl
  1733 1,1,2-Trifluoro-2-chloroethyl dodecafluoroheptyletherC9H4OF15Cl
  1734 Phosphorus monoxide monochlorideOPCl
  1735 CH3SCl CH3SCl
  1736 CH3SCl (Geo)CH3SCl
  1737 C6H5SClC6H5SCl
  1738 SOClOSCl
  1739 HOSO2ClHO3SCl
  1740 SO2ClFO2FSCl
  1741 SF5ClF5SCl
  1742 Hydrogen dichloride, anionHCl2
  1743 DichloromethyleneCCl2
  1744 CHCl2(+)HCCl2
  1745 Dichloromethane (Geo)CH2Cl2


ΔHf: -10.1 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  

CH3SCl
 H=-10.1 HR=PW91D
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  S     1.80249573 +1    0.0000000 +0    0.0000000 +0     1     0     0
 Cl     2.04064641 +1  100.7062356 +1    0.0000000 +0     2     1     0
  H     1.09877710 +1  112.7306617 +1  -61.9957706 +1     1     2     3
  H     1.09884347 +1  112.7264655 +1  122.1619921 +1     1     2     4
  H     1.10048451 +1  108.7183867 +1  118.9022807 +1     1     2     5