From owner-chemistry@ccl.net Wed Mar 28 16:38:00 2012
From: "asmaa El-meligy asmaaphys#%#yahoo.com" <owner-chemistry[*]server.ccl.net>
To: CCL
Subject: CCL:G: problem with degrees of freedom
Message-Id: <-46589-120328150225-32293-VufT4urpfczE+bnKnxD02w[*]server.ccl.net>
X-Original-From: "asmaa  El-meligy" <asmaaphys(!)yahoo.com>
Date: Wed, 28 Mar 2012 15:02:21 -0400


Sent to CCL by: "asmaa  El-meligy" [asmaaphys*yahoo.com]
Dear All;
Calculation of hindered rotation using G03 for some systems gives goes smoothly with some systems while others failed. An error of "problem with degrees of freedom" appears in one case and zero value for corrected partition function for another case.Geom.=modify or Nosym did not help. I highly appreciate if some could help in this respect.