NSF
	Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Nitrogen Thiofluoride
	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 NSF (MHz).  Calculation was made on the effective molecular structure of Cook and Kirchoff [2].     Calc. Expt. [1]     14N Xaa - 1.653 - 1.66(5) Xbb - 4.511 - 4.03 * Xcc 6.164 5.69 * |Xab| 0.036   RMS 0.39 (10 %) RSD 0.030 (1.3 %)
	* Derived here from Xaa and ETA = (Xbb - Xcc)/Xaa =  5.86(5) MHz.
	Table 2. Molecular structure parameters, ro [2] (Å and degrees). NS 1.448 SF 1.643 NSF 116.92
	[1] W.H.Kirchoff and E.B.Wilson Jr. J.Am.Chem.Soc. 85,1726(1963).
	[2] R.L.Cook and W.H.Kirchoff, J.Chem.Phys. 47,4521(1967).
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						Last Modified 23 May 2003