CCN X2Pi
		Nitrogen
	Nuclear Quadrupole Coupling Constants
		in CCN Radical
	Nitrogen nqcc's in the CCN radical were measured by Allen et al. [1].  A non-relativistic EOM-CCSD/aug-cc-pVQZ structure was derived by Cheng [2]. Calculation of the Nitrogen nqcc'c was made here on this structure.  Calculated and experimental nqcc's are compared in Table 1. In this Table, eQqo = Xzz and eQq2 = 2(Xyy-Xxx).  Structure parameters are given in Table 2.
	Table 1. Nitrogen nqcc's in CCN Radical (MHz).     Calc. Expt. [1]     14N eQq0 - 5.136 - 4.8221(14)   eQq2 10.716 9.208(66)
	Table 2.  CCN structure parameters, r(CC) = 1.3804 Å and r(CN) = 1.1714 Å [2]
	[1] M.D.Allen, K.M.Evenson, D.A.Gillet, and J.M.Brown, J.Mol.Spectrosc. 201,18(2000).
	[2] L.Cheng, J.Chem.Phys. 143,064301(2015).
	CN		NCl		NS		NSi
	O2		SO		OH
	Table of Contents
	Molecules/Nitrogen
						CCN.html
						Last Modified 19 Nov 2017