From owner-chemistry.,at,.ccl.net Tue Dec 21 08:51:00 2010 From: "Mahmoud A. A. Ibrahim m.ibrahim..compchem.net" To: CCL Subject: CCL: AIM Problem Message-Id: <-43434-101221084849-1958-Nf7/pSDarmhUDSuEnDy/OQ*o*server.ccl.net> X-Original-From: "Mahmoud A. A. Ibrahim" Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset=ISO-8859-1 Date: Tue, 21 Dec 2010 13:48:41 +0000 MIME-Version: 1.0 Sent to CCL by: "Mahmoud A. A. Ibrahim" [m.ibrahim,,compchem.net] Dear Abhishek I am afraid the BCP of HCl should be detected by AIM2000 using the default setting. Could you let us know how you generated the wfn file? what basis set and method you used? If you like you could send me the wfn on my email for testing it, including the route section used for wfn generation. Merry Christmas M. Ibrahim On Tue, Dec 21, 2010 at 3:51 AM, ABHISHEK SHAHI shahi.abhishek1984^gmail.com wrote: > Dear All, > >    I am doing AIM analysis of weakly bounded complexes using AIM2000 > program.Here, Some of the bond critical points are missing ( like BCP of HCl > molecule). What modification should i make in default setting of program? > Please help for same. Thanking a lot. > > > > > With regards; >  ABHISHEK SHAHI > > Research Scholar > Inorganic and Physical Chemistry > Indian Institute Of Science > Bangalore-12 > > --                   Mahmoud A. A. Ibrahim                        Current Address                  7.05, School of Chemistry,               The University of Manchester,          Oxford Road, Manchester, M13 9PL,                        United Kingdom.                         Home Address                   Chemistry Department,                      Faculty of Science,                         Minia University,                            Minia 61519,                                 Egypt.                      Contact Information            Email: m.ibrahim_+_compchem.net               Website: www.compchem.net                    Fax No.: +20862342601