CF3NC
		Nitrogen
	Nuclear Quadrupole Coupling Constants
		in Trifluoromethyl Isocyanide
	Table 1.  Nitrogen nqcc's in CF3NC (MHz).   Calc. Expt. [1]     14N Xzz 1.103 1.06(3)
	The difference between calculated and experimental nqcc's is 0.04 MHz (4 %).
	Table 2.  Molecular structure parameters, ged + mw, rav [1] (Å and degrees). Cm is methyl carbon. CmF 1.324 CmN 1.407 NC 1.171 FCmF 108.8
	[1] D.Christen, K.Ramme, B.Haas, H.Oberhammer, and D.Lentz, J.Chem.Phys. 80,4020(1984).
	CH3NC		HCCNC		HNC
	C6H5NC		CNCN		(CH3)3CNC
	Table of Contents
	Molecules/Nitrogen
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						Last Modified 23 May 2003