[molpro-user] TS searches

Eric Cotton ccotton at purdue.edu
Thu Apr 26 17:25:29 BST 2012

I'm having difficulty understanding TS optimization methods and, I'm sure
there is a simple explanation. 


Could anyone tell me why when using an optimized TS geometry optimized from
another QM package, and the 




Results in a failed calculation at the same level of theory with the
gradients getting huge along the way?


Eric Cotton



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