Subject: thermochemistry with NwChem

From: Lacramioara Negureanu <lnegur1..at..lsu.edu>
Date: Tue, 25 Nov 2003 11:48:52 -0600

Hello

I would like to use NwChem to calculate ( ab initio) thermochemical data (
enthalpy, entropy, electronic energy) ;

There is any way to get these energyes , besides vibrational frequencies,
with NwChem???

I would really appreciate any help

lacra