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

ch3scl   2462 CH3SCl

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    #  Species Formula
  2452 Silicon chlorideSiCl
  2453 ChlorosilaneH3SiCl
  2454 ChlorodimethylsilaneC2H7SiCl
  2455 ChlorotrimethylsilaneC3H9SiCl
  2456 SiC3Cl (GUHHAS) (Geo)C3H9SiCl
  2457 SiC3Cl (GUHHAS)C3H9SiCl
  2458 SiF4Cl, anionF4SiCl
  2459 Phosphorus chloridePCl
  2460 Phosphorus monoxide monochlorideOPCl
  2461 SClSCl
  2462 CH3SCl CH3SCl
  2463 CH3SCl (Geo)CH3SCl
  2464 C6H5SClC6H5SCl
  2465 SOClOSCl
  2466 HOSO2ClHO3SCl
  2467 SO2ClFO2FSCl
  2468 SF5ClF5SCl
  2469 ChlorineCl2
  2470 Chlorine (Geo)Cl2
  2471 Hydrogen dichloride, anionHCl2
  2472 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