Subject: Freq Calc

From: "Benjamin J Moritz" <[email-masked]>
Date: Mon, 11 Jun 2001 18:54:26 -0700

Dear CCLers,

I have a question about performing frequency calculations in G98.  We have 
optimized several structures using the Amsterdam Density Functional (ADF) 
program and would now like to perform seperate frequency calculations on 
only a certain section of the optimized structure.  My question to CCL is 
can I create an input file with the optimized internal coordinates from 
ADF, and freeze a section of the structure and have Gaussian 98 perform 
frequency calculations on the unfrozen atoms?  Any help is greatly 
appreciated.  Thank you.

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Benjamin J. Moritz                                       home (602) 453-9411
Dept. of Chemistry & Biochemistry                 work (480) 965-8509
Arizona State University                                Mailto:[email-masked]
P. O. Box 871604
Tempe, AZ  85287-1604
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