Subject: Re: CCL:calculation of enthalpy,ZPE,entropy and gibbs free energies from the out put file

From: "Kadir Diri" <kadir(at)visual1.chem.pitt.edu>
Date: Wed, 17 Dec 2003 12:50:54 -0500

Hello!
Gaussian will calculate and print all these by default in a frequency calculation (just include the freq keyword in your input).
Kadir

  ----- Original Message ----- 
  From: Kaliappan Muthukumar 
  To: chemistry(at)ccl.net 
  Sent: Tuesday, December 16, 2003 10:20 PM
  Subject: CCL:calculation of enthalpy,ZPE,entropy and gibbs free energies from the out put file

  Dear CCl ers,
  Could you please explain me how to calculate enthalpy,ZPE,entropy and gibbs free energies from the out put file of gaussian-98.
  I will be very thankful to you and I will summarise all at the end.
  bye.
  With regards,
  M.k.,
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