Subject: Re: CCL:force constants of diatomics in GAUSSIAN-03

From: Dmitry Rozmanov <dima<<at>>xenon.spb.ru>
Date: Tue, 27 Jul 2004 23:21:39 +0400

Dear Mike,

Thank you very  much for the explanation. I think that the issue is much clearer 
now. This was really helpful.

Thank you again.

Best wishes.

	---Dmitry.

Michael Frisch wrote:

> On Thu, Jul 22, 2004 at 09:58:54AM +0400, Dmitry Rozmanov wrote:
> 
> 
> This is only possible for diatomics, where there is a particular
> convention.  For the general polyatomic, there isn't any
> "whole-other-world" definition.  For example, when a spectroscopist
> talks about extracting a stretching force constant, they most often
> mean the following:

> Mike Frisch