[molpro-user] CCSD search for transition state find 3-5 imaginary frequencies
xi_chen at brown.edu
Thu Sep 3 13:53:37 BST 2015
I am writing this email to ask for some help for transition state search
I got more than 1 imaginary frequencies for two transition states. I have
tried narrow the criteria for optimization.
Have anyone also come across this issue?
Thank you very much.
Department of Chemistry
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