CCL: Gaussian SCF problem..

From: "James Robinson" <james.robinson---prosonix.co.uk>
Subject: CCL: Gaussian SCF problem..
Date: Fri, 26 Jun 2009 07:32:55 -0400

 Sent to CCL by: "James  Robinson" [james.robinson%x%prosonix.co.uk]
 Dear Mahmoud Korani Abdel-Latif
 I too came across this problem a few years ago. I used
 SCF=(QC,tight,maxcycle=999) in the route section. Also do check the multiplicity
 of your system and perform a STABLE calculation to check the stability of the
 calculated wavefunction. I think it just changes parameters in the matrices and
 checks the energy always rises, thus confirming you have a minimum energy, in
 wave function space only, for your single point calculation.
 James
 Senior Scientist
 Prosonix Ltd, Oxford, UK