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Date: Tue, 27 Jul 2004 23:21:39 +0400
From: Dmitry Rozmanov <dima<<at>>xenon.spb.ru>
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To: Michael Frisch <frisch<<at>>gaussian.com>, CCL <chemistry<<at>>ccl.net>
Subject: Re: CCL:force constants of diatomics in GAUSSIAN-03
References: <40F5307B.1020909<<at>>xenon.spb.ru> <40FC1BDF.1010700<<at>>xenon.spb.ru> <a05111b00bd22602b52aa@[192.38.70.75]> <40FD869D.4060002<<at>>xenon.spb.ru> <a05111b01bd23dbb0a52a@[192.38.70.75]> <40FE5064.9030808<<at>>xenon.spb.ru> <20040721142403.GC18470<<at>>svega.gaussian.com> <40FF579E.1060608<<at>>xenon.spb.ru> <20040727135902.GA8483<<at>>svega.gaussian.com>
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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
> 
> 
> 
>