Subject: Internal Coordinates in Gaussian

From: <[email-masked]>
Date: Wed, 30 Mar 1994 11:26:47 -0600 (CST)

Dear Netters,

	For a long time I have been looking for the FORTRAN program 
which would read the Gaussian's frequency, forces and displacement 
of atoms in Cartesian coordinates and transform them to the specific 
(defined by a user) internal coordinates of a molecule.

	I know that some internal coordinates are available in Gaussian 
by construction of a z-matrix, but the most of them are not. The 
classical example for a coordinate, which one cannot define by a z-
matrix, is a triangle with three lengths as  internal coordinates. To 
define the triangle in a z-matrix one has to use two lengths and an 
angle. There is no way to use three lengths by a z-matrix  in this 
situation.

	I ask You if one knows any programs or at least references that 
could solve or help me to solve my problem.

Thank you for your time and help.

			Andrzej A. Jarzecki

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Andrzej A. Jarzecki			
Vanderbilt University				
Department of Chemistry 
Nashville, TN 37235.

Telenone: 615-322-7324
e-mail: [email-masked]
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