Subject: bug in G92 calculation of corrections for enthalpies

From: <[email-masked]>
Date: Wed, 19 Apr 1995 12:54:46 -0400

Has anyone else noticed that G92 doesn't correct calculate the H-H(0)
corrections (the thermal energies)?  They can be off by as much as a factor
of 10!  The problem appears to be in the calculation of the vibrational
contribution.  Since we can duplicate the JANAF data, I assume we are doing
the calculation correctly.  

Michelle M. Francl
Associate Professor of Chemistry
Bryn Mawr College
Bryn Mawr, PA 19010

Phone:  610-526-5108
FAX:  610-526-5086
Internet: [email-masked]