Subject: Re: CCL:IR intensity conversion factor

From: "Jens Spanget-Larsen" <spanget*at*virgil.ruc.dk>
Date: Wed, 3 Sep 2003 14:30:42 +0200

Piero Ugliengo:

> I would like to know the exact formula that Gaussian98 is
> using to convert the square of derivative of the
> dipole moment with respect to a displacement
> into the IR intensity in KM/mol.

Dear Piero,
you will find a general discussion of the problem, with 
references to the literature, in this paper (particularly page 
715):

B. A. Hess, Jr., L. J. Schaad, P. Carsky, R. Zahradnik, Chem. 
Rev. 86, 709-730 (1986)

Yours, Jens >--< 

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