CCL:G: Gibb's free energy

It's easy if you use one of the multi-step methods (G3, CBS-Q, etc.): a Gibbs free energy function (in hartrees) is part of the final output.
 
Otherwise, thermodynamic data can be obtained from a freq calculation; the entropy and the thermal energy are in the section after the frequencies table. 
 

--David Shobe, Ph.D., M.L.S.
Süd-Chemie, Inc.
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From: owner-chemistry:-:ccl.net [mailto:owner-chemistry:-:ccl.net]
Sent: Sunday, October 30, 2005 6:01 AM
To: Shobe, David
Subject: CCL:G: Gibb's free energy

Hi,

How to calculate the Gibb's free energy for a molecule using gaussian software ?

Sincerely,

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