From owner-chemistry@ccl.net Fri Mar 27 08:51:01 2009
From: "Babak Khalili khalili.babak.:.gmail.com" <owner-chemistry=server.ccl.net>
To: CCL
Subject: CCL:G: Gaussian utilization- help
Message-Id: <-38950-090327084604-14961-W/BwuGD2N3j0tWThM3hSEg=server.ccl.net>
X-Original-From: "Babak  Khalili" <khalili.babak~!~gmail.com>
Date: Fri, 27 Mar 2009 08:46:00 -0400


Sent to CCL by: "Babak  Khalili" [khalili.babak],[gmail.com]
Dear All 
In utilization of Gaussian soft ware the L101 error occurs. The main problem is "LP -lone electron pair-" symbol formation in geometry specifications due to energy minimization in Chem3D e.g. (-OH) and /or (-HN2).
The Chem 3D makes that but the Gaussian can't recognize it. Surly
omitting the lone e-pair makes my results to be invaluable.
It will be your great kind if you lead me and say me what can I do.

Thanks,
Babak Khalili
PhD candidate of Biochemistry