Dear amber users,
sorry for bothering you, I assume this question has been posed already several times.
During my search in the archive, I found that it's strongly recommanded to use as well for the geometry optimisation 6-31G* (NOT the ESP calculation), but actually I am quite sure, that I've read once here that some people used higher ones for the optimisation.
Am I wrong? I would be nice, if someone would be so kind and would give me a short answer.
Regards
Michel
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Received on Wed Mar 21 2007 - 06:07:40 PDT
