NCCS Radical
	Nitrogen
	Nuclear Quadrupole Coupling Constants
		in NCCS Radical
	Table 1.  14N nqcc's in NCCS Radical (MHz).  Calculation was made on ropt(1) =  CCSD(T)/cc-pVTZ, and ropt(2) = CCSD(T)(core)/cc-pVTZ structures [1].      Calc. (1) Calc. (2) Expt. [1]     Xaa - 4.105 - 4.168 - 4.046(23) Xbb 0.412 0.378 Xcc 3.692 3.790 |Xab| 1.028 0.920
	Table 2. Molecular structure parameters (Å and degrees).   ropt(1) ropt(2) NC 1.1750 1.1722 CC 1.3822 1.3695 CS 1.5669 1.5604 NCC 174.0 174.5 CCS 145.3 148.4
	[1] M.Nakajima, Y.Sumiyoshi, and Y.Endo, J.Chem.Phys. 118,7803(2003).
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						Last Modified 14 Jan 2008