NCO X2Pi
		Nitrogen
	Nuclear Quadrupole Coupling Constants
		in NCO Radical
	Nitrogen nqcc's in the NCO radical were measured by Prasad [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 NCO Radical (MHz).     Calc. Expt. [1]     14N eQq0 - 2.384 - 2.211(12)   eQq2 - 16.807 - 16.16(51)
	Table 2.  NCO structure parameters, r(NC) = 1.2136 Å and r(CO) = 1.1709 Å [2]
	[1] R.Prasad, J.Chem.Phys. 120,10089(2004).
	[2] L.Cheng, J.Chem.Phys. 143,064301(2015).
	CN		NCl		NS		NSi
	O2		SO		OH
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	Molecules/Nitrogen
						NCO.html
						Last Modified 19 Nov 2017