Subject: CH3CN and CH3NC

From: Janet Del Bene <[email-masked]>
Date: Fri, 05 Aug 1994 19:56:33 -0400 (EDT)

Another relevant reference is an article that I wrote on CH3CN and
CH3NC and their interactions with H+ and HCl.  Structures were
optimized at MP2/6-31+G(d,p) and single point energies obtained
at MP4 with an augmented Dunning correlation-consistent polarized
split-valence basis set.  Experimental data are also given.
See, J. E. Del Bene, J. Am. Chem. Soc. 115, 1610 (1993).
     Note that the level of theory used here is beyond that
recommended by Lewars.
     Hope this helps.
     Janet E. Del Bene
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