Accuracy

ch3scl   2461 CH3SCl

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    #  Species Formula
  2451 Silicon chlorideSiCl
  2452 ChlorosilaneH3SiCl
  2453 ChlorodimethylsilaneC2H7SiCl
  2454 ChlorotrimethylsilaneC3H9SiCl
  2455 SiC3Cl (GUHHAS) (Geo)C3H9SiCl
  2456 SiC3Cl (GUHHAS)C3H9SiCl
  2457 SiF4Cl, anionF4SiCl
  2458 Phosphorus chloridePCl
  2459 Phosphorus monoxide monochlorideOPCl
  2460 SClSCl
  2461 CH3SCl CH3SCl
  2462 CH3SCl (Geo)CH3SCl
  2463 C6H5SClC6H5SCl
  2464 SOClOSCl
  2465 HOSO2ClHO3SCl
  2466 SO2ClFO2FSCl
  2467 SF5ClF5SCl
  2468 ChlorineCl2
  2469 Chlorine (Geo)Cl2
  2470 Hydrogen dichloride, anionHCl2
  2471 Lithium chloride dimer (Geo)Li2Cl2


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.
  
 PM7
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