OCSe
		Oxygen
	Nuclear Quadrupole Coupling Constants
		in Carbonyl Selenide
	Table 1.  17O nqcc in OC80Se (MHz).      eQq   Experimental [1] - 0.6071(11)   Calculated   B1B95/6-311++G(3df,3p) - 0.640   B1LYP/6-311++G(3df,3p) - 0.609   B3LYP/6-311++G(3df,3p) - 0.629   MP4(SDQ)/6-311++G(3df,3pd) - 0.586
	Molecular Structure, re [2]				OC = 1.15327(25) Å
					CSe = 1.70981(19) Å
	[1] G. Wlodarczak, J.Gripp, and W.Stahl, J.Mol.Spectrosc. 161,297(1993).
	[2] M.LeGuennec, G.Wlodarczak, J.Demaison, H.Bürger, and M.Litz, J.Mol.Spectrosc. 157,419(1993).
	C.Puzzarini, M.P.deLara-Castells, R.Tarroni, P.Palmieri, and J.Demaison, Phys.Chem.Chem.Phys. 1,3955(1999):  Ab initio equilibrium structure.
	OCO		OCS		CO
	Table of Contents
	Molecules/Oxygen
						OCSe.html
						Last Modified 24 Nov 2004