CCL: thermodynamic calculations

From: "Hamdy Saad El Sheshtawy" <h.elsheshtawy%a%jacobs-university.de>
Subject: CCL: thermodynamic calculations
Date: Fri, 8 Aug 2008 10:18:39 -0400

 Sent to CCL by: "Hamdy Saad El Sheshtawy" [h.elsheshtawy ~
 jacobs-university.de]
 Dear all,
 I am doing some calculations on the transition state optemizations and I want to
 calculate the entropy from the thermodynamics outputs. can any one tell me how
 to calculate the entropy the enthalby and the free energy.
 best
 Hamdy