O2
		Oxygen
	Nuclear Quadrupole Coupling Constants
		in Molecular Oxygen
	Table 1.  17O nqcc in O2 (MHz).   eQq1 / Ref   Experimental - 8.42(18) [3] - 8.3(3)  [2]   - 8.29(5)  [1] Calculated   B1B95/6-311++G(3df,3p) - 8.129   B1LYP/6-311++G(3df,3p) - 8.164   B3LYP/6-311++G(3df,3p) - 8.213   MP4(SDQ)/6-311++G(3df,3pd) - 7.974
	Bond Length, rL = 1.20736 Å [2].
	[1] G.Cazzoli and C.DelgiEsposti, Chem.Phys.Lett. 113,501(1985).
	[2] G.Cazzoli, C.DelgiEsposti, P.G.Favero, and G.Severi, NuovoCimenti 62B,243(1981).
	[3] P.VonGerber, Helv.Phys.Acta 54,655(1972).
	SO		OH		CO		SiO
	Table of Contents
	Molecules/Oxygen
						O2.html
						Last Modified 24 Nov 2004