| 4:33:02 PM PDT - Fri, Apr 19th 2013 |
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We do not have the same system in place. However, you can do this in two ways:
1. After the geometry optimization the displacements of the imaginary normal modes are printed. You an simply use this as a starting point for a next geometry optimization.
2. You can try and follow the negative mode to a potential saddle point and minimize from there (see http://nwchemgit.github.io/index.php/Release61:Geometry_Optimization for details).
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