CASSCF Calculation

From: "Peng Liu" <pliu=at=uoguelph.ca>
Organization: University of Guelph
Subject: CASSCF Calculation
Date: Mon, 22 Nov 2004 10:40:30 -0500

Hi, all:
   I am trying to do the UHF-NO-CASSCF calculation using Gaussian 98 on an
 excited aromatic structure. But I've got very different results of the
 energy in different computers using the same input file.
   I tried the same version of G98 (Rev. A.11) on two alpha computers and
 didn't get the same result either. I think the only difference may be the
 compiler and the version of ATLAS library during the installation, but how
 can that make so much difference?
   I've compared the output files. The differences first occur during the
 output of the natural orbitals in the UHF calculation.
   I really appreciate any help.
 Best regards,
 Peng Liu