CO
		Oxygen
	Nuclear Quadrupole Coupling Constants
		in Carbon Monoxide
	Table 1.  17O nqcc in CO (MHz).   eQq / Ref.   Experimental 4.43(40)  [5] 4.43(10)  [4] 4.52(69)  [3] 4.337(56)  [2]   4.3205(7)  [1] Calculated   B1B95/6-311++G(3df,3p) 4.266   B1LYP/6-311++G(3df,3p) 4.251   B3LYP/6-311++G(3df,3p) 4.267   MP4(SDQ)/6-311++G(3df,3pd) 4.360
	Molecular Structure, re(CO) = 1.128323 Å [6].
	[1] G.Cazzoli, L.Dore, C.Puzzarini, and S.Beninati, Phys.Chem.Chem. Phys. 4,3575(2002).
	[2] M.A.Frerking and W.D.Langer, J.Chem. Phys. 74,6990(1981).
	[3] F.J.Lovas and P.H.Krupenie, J.Phys.Chem.Ref.Data 3,245(1974).
	[4] W.H.Flygare and V.W.Weiss, J.Chem.Phys. 45,2785(1966).
	[5] B.Rosenblum and A.H.Nethercot,Jr., J.Chem.Phys. 27,828(1957).
	[6] K.P.Huber and G.Herzberg, Molecular Spectra and Molecular Structure, v4, VanNostrand-Reinhold, New York, 1979.
	See also ...
	C.Puzzarini, L.Dore, and G.Cazzoli, J.Mol.Spectrosc. 217,19(2003).
	SiO		GeO
	Table of Contents
	Molecules/Oxygen
						CO.html
						Last Modified 24 Nov 2004