[molpro-user] CCSD search for transition state find 3-5 imaginary frequencies

[Chen, Xi]

Dear list,

I am writing this email to ask for some help for transition state search
using ccsd(t).
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.

Best,
Xi

-- 
Xi CHEN
Graduate Student
Department of Chemistry
Brown University
Providence
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