HNC
		Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Hydrogen Isocyanide
	Table 1. Nitrogen nqcc's in HNC (MHz).     Calc / Ref   Reference is for the structure on which calculation was made.   Calc / Ref Expt. [1,2]     14N Xzz 0.423 [3] 0.2645(46) [2]   0.417 [4] 0.28(3) [1]
	Table 2. Nitrogen and Deuterium nqcc's in DNC (MHz).     Calc / Ref   Reference is for the structure on which calculation was made.   Calc / Ref Expt. [2]     14N Xzz 0.423 [3] 0.2947(131)   0.417 [4]     2H Xzz 0.2620 [3] 0.2619(145) 0.2658 [4]
	Table 3.  Hydrogen Isocyanide.  Structure parameters (Å).      re [3]  re [4] HN 0.9960643 0.9940 NC 1.1683506 1.1689
	[1] M.A.Frerking, W.D.Langer, and R.W.Wilson, Ap.J.(Lett.) 232,L65(1979).
	[2] H.A.Bechtel, A.H.Steeves, and R.W.Field, Ap.J.(Lett.) 649(2006).
	[3] N.C.Handy, J.Chem. Phys. 97,1606(1992).
	[4] R.A.Creswell and A.G.Robiette, Mol.Phys. 36,869(1978).
	"The accurate determination of molecular equilibrium structures" K.L.Bak, J.Gauss, P.Jørgensen, J.Olsen, T.Helgator, and J.F.Stanton, J.Mol.Spectrosc. 114,6548(2001).   re(HN) = 0.9949 Å, re(NC) = 1.1687 Å.
	HCN		HCCNC		CH3NC
	CNCN		LiNC		CF3NC
	Table of Contents
	Molecules/Nitrogen
	Molecules/Deuterium
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						Last Modified 12 Sept 2006