ONCN
	Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Nitrosyl Cyanide
	RMS is the root mean square difference between calculated and experimental nqcc's (percentage of average experimental nqcc).  RSD is the residual stand deviation of calibration of the model for calculation of the nqcc's.
	Table 1. Nitrogen nqcc's in O14NC15N (MHz).  Calculation was made on the substitution molecular structure of Dickinson et al. [1].     Calc. Expt. [1]     14N Xaa 1.500 1.52 Xbb - 5.751 - 5.68 Xcc 4.252 4.16 |Xab| 1.197   RMS 0.07 (1.8 %) RSD 0.030 (1.3 %)
	Table 1. Nitrogen nqcc's in O15NC14N (MHz).  Calculation was made on the substitution molecular structure of Dickinson et al. [1].     Calc. Expt. [1]     14N Xaa - 4.087 - 3.92 Xbb 0.759 1.08 Xcc 3.328 2.84 |Xab| 1.260   RMS 0.35 (13 %) RSD 0.030 (1.3 %)
	Table 3. Molecular structure parameters, rs [1] (Å and degrees). ON 1.217 NC 1.418 CN 1.163 ONC 113.63 NCN 169.95
	[1] R.Dickinson, G.W.Kirby, J.G.Sweeny, and J.K.Tyler, J.Chem.Soc. Frarday Trans. II 74,1393(1978).
	ONH		ONF		ONCl		ONBr
	Table of Contents
	Molecules/Nitrogen
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						Last Modified 23 May 2003