HNCSe
	Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Isoselenocyanic Acid
	In Table 1, subscripts a,b,c refer to the principal axes of the inertia tensor; x,y,z to the principal axes of the nqcc tensor.  The nqcc y-axis is chosen coincident with the inertia c-axis, these are perpendicular to the molecular symmetry plane.  Ø (degrees) is the angle between its subscripted parameters.  ETA = (Xxx - Xyy)/Xzz.
	Table 1. Nitrogen nqcc's in HNCSe (MHz).  Calculation was made on the substitution molecular structure [1].     Calc. Expt.     14N Xaa 1.201 Xbb - 0.649 Xcc - 0.552 |Xab| 1.036   RSD 0.030 (1.3 %)   Xxx - 1.113 Xyy - 0.552 Xzz 1.665 ETA - 0.337 Øz,a 24.1 Øa,NH 35.8 Øz,NH 11.7
	Table 2.  Molecular structure parameters, rs [1] (Å and degrees). HN 0.99(1) NC 1.192(3) CSe 1.719(2) HNC 140(1) NCSe 175(1)
	[1] Landolt-Börnstein, Numerical Data and Functional Relationships in Science and Technology, Vol.15, p165 (Springer-Verlag, Berlin).
	J.Vogt and M.Winnewisser, Ber.Bunsenges.Phys.Chem. 88,44(1984).
	B.M.Landsberg, Chem.Phys.Lett. 60,265(1979).
	HNCO		HNCS		ClNCO		HNSO
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	Molecules/Nitrogen
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						Last Modified 12 Feb 2005