W:partition functions/gaussian
 
 
 
 
 - From: "kono, , lemke" <klemke04_at_yahoo.com>
 
 - Subject: W:partition functions/gaussian
 
 - Date: Tue, 14 Jun 2005 08:15:36 -0400
 
 
 
 
 
 
 
 hello,
 a question regarding vibrational contributions to the partition function in
 gaussian. gaussian lists
 two values for vibrational contribtutions to the partition function, one with
 zero of energy being the
 bottom of the well (BOT) , the other for the first vibratonal level (V=0). are
 both of these values
 calculated by default for 298.15K and 1bar?
 thanks
 kono