From chemistry-request@ccl.net Tue Jul 20 14:54:44 2004
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From: Ian Hovell <HOVELL-.at.-cetem.gov.br>
To: "'chemistry'" <chemistry-.at.-ccl.net>
Subject: CCL: basis set for mercury
Date: Tue, 20 Jul 2004 17:00:24 -0300
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Dear CCLers,
I'm trying to set up a gaussian job that would give me decent IR frequencies
for dimethylmercury. I would like to use an ECP type basis set using DFT
methods. I would like a suggestion as to which basis set would be the most
appropriate for this type of calculation.
TIA
Ian