How to calculate the Free energy
Clicked A Few Times
3:55:43 PM PST - Sun, Feb 2nd 2014
Hi,
can anyone please tell me how to calculate/output Gibbs free energy for a particular system.
Is there any key word I should use?

Thanks in advance.

Clicked A Few Times
2:34:51 AM PDT - Thu, Jul 20th 2017
This is very late reply. Adding "task dft frequencies numerical" can yield you more output about thermochemistry.


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