[molpro-user] Optimizing geometry with one of the bond lengths fixed

Peter Knowles KnowlesPJ at Cardiff.ac.uk
Mon Sep 11 08:49:11 BST 2006

The answer's in the manual: see http://www.molpro.net/info/current// 
Peter Knowles

On 10 Sep 2006, at 07:45, S. V. K. Kumar wrote:

> I would like to optimize the geometry of SF6- with one of the bond  
> length
> fixed while giving relaxing all other bond lengths and angles. I  
> have done
> this using Gaussian using the following input file. How do I do it in

Prof. Peter J. Knowles
School of Chemistry, Cardiff University, Main Building, Park Place,  
Cardiff CF10 3AT, UK
Telephone: +44 29208 79182 Fax: +44 2920874030
Email KnowlesPJ at Cardiff.ac.uk  WWW http://www.cardiff.ac.uk/chemy/ 

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