# W:ideal gas heat capacity

*From*: "Rich, , Talbot" <rtalbot ()
cambridgesoft.com>
*Subject*: W:ideal gas heat capacity
*Date*: Thu, 19 May 2005 09:02:45 -0400

"I have been using Chem3D to calculate vibrational frequencies using
MOPAC (FORCE THERMO PRECISE) and a PM3 method. The printout gives heat capacity
which looks like Cp for propane and Cv for 1,1,1-trifluoropropane. Is there an
extra correction that needs to be made when calculating the ideal gas heat
capacity of fluorine containing molecules from the vibrational
frequencies?"
One of our users asked this question, but I am having difficulty in finding him
a solution. I thought I would check with the experts on this list for any
insights.
Thanks,
Rich Talbot
rtalbot () cambridgesoft.com