CS
		Sulfur
	Nuclear Quadrupole Coupling Constants
		in Carbon Sulfide
	Table 1. 33S nqcc's in CS (MHz).     Calc. [a] B3LYP/6-311G(3df,3p) model. Calc. [b] B3LYP/TZV+(3df,3p) model.   Calc. [a] Calc. [b]  Expt. / Ref.     Xzz 11.67 11.28 12.833(36)  [1] 12.835(26)  [2] 13.0265(68) [3]
	Bond length, re(CS) = 1.5349(2) Å [2].
	[1] M.Bogey, C.Demuynck, and J.L.Destombes, Chem.Phys.Lett. 81, 256(1981).
	[2] R.C.Mockler and G.R.Bird, Phys.Rev. 98,1837(1955).
	[3] H.S.P.Müller, F.Schlöder, J.Stutzki, and G.Winnewisser, J.Mol.Struct. 742,215(2005).
	SiS		GeS		SnS
	Table of Contents
	Molecules/Sulfur
						CS.html
						Last Modified 8 Oct 2007