NO X2Pi
		Nitrogen and Oxygen
	Nuclear Quadrupole Coupling Constants
		in Nitric Oxide Radical
	In the following Tables 1 and 2, eQqo = Xzz and eQq2 = 2(Xyy-Xxx) [1]
	Table 1. Nitrogen nqcc's in NO Radical (MHz).     Calc. Expt. [2]     14N eQq0 - 2.003 - 1.85749(74)   eQq2 23.715 23.049(18)
	Table 2.  17O nqcc in NO (MHz).  eQqo  eQq2 Experimental [3] -1.30(4) -31.5(12) Calculated B1B95/6-311++G(3df,3p) -1.276 -33.10 B1LYP/6-311++G(3df,3p) -1.346 -33.36 B3LYP/6-311++G(3df,3p) -1.336 -33.35 MP4(SDQ)/6-311++G(3df,3pd) -1.443 -19.82
	Bond Length, re = 1.150785 Å [4]
	[1] L.Cheng, J.Chem.Phys. 143,064301(2015).
	[2] E.Klisch, S.P.Belov, R.Schieder, and G.Winnewisser, Mol.Phys. 97,65(1999).
	[3] A.H.Saleck, M.Liedtke, A.Dolgner, and G.Winnewisser, Z.Naturforsch. 49a,1111(1994).
	[4] A.H.Saleck, K.M.T.Yamada, and G.Winnewisser, Mol.Phys. 72,1135(1991);  A.H.Saleck, G.Winnewisser, and K.M.T.Yamada, Mol.Phys. 76,1443(1992).
	CN		NCl		NS		NSi
	O2		SO		OH
	Table of Contents
	Molecules/Nitrogen
	Molecules/Oxygen
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						Last Modified 24 Nov 2004