Subject: RE: vibration coordinates

From: "Debellis,Anthony MSM TCAD US" <[email-masked]>
Date: 2 Dec 1996 10:16:39 +0500

>Dear natters,
>
>I need to get the movements of the different vibrations
>in the internal coordinates representation.
>Gaussian 94 gives me the movements in the cartesian
>coordinates.
>
>Does anyone know how can I get the vibrations in internal
>coordinates representation from Gaussian 94.
>
>Thanks in advance
>
>Avital
 ------------------------------------------------
According the "Exploring Chemistry with Electronic Structure Methods" (2nd 
edition), Gaussian 94 will print out the displacements for the normal modes 
in terms of the internal coordinates.  They will be labeled as eigenvectors 
of the Hessian in the output file.  See page 74 of the book.

Anthony
[email-masked]