Subject: Re: CCL:NH3 Inversion Doubling

From: Robert_Topper <[email-masked]>
Date: Thu, 2 Jun 1994 18:24:39 -0400

On this topic I can provide no concrete advice other than to have a 
look at the following paper:

"reaction path power series analysis of NH3 inversion," by R. Steckler 
and D.G. Truhlar, J. Chem. Phys. 93, 6570 (1990). 

In this paper it is noted that the inversion barrier height is quite 
sensitive to the number of basis functions used. This may be a useful starting
point towards answering your question.
-rqt
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