From owner-chemistry@ccl.net Thu Mar 18 16:26:00 2010 From: "Shirin Seifert shirin.seifert : gmail.com" To: CCL Subject: CCL: ONIOM Problem Message-Id: <-41496-100318115818-28402-yp320a2WOGSuUhiCtcU13A_._server.ccl.net> X-Original-From: Shirin Seifert Content-Type: text/plain; charset=ISO-8859-1 Date: Thu, 18 Mar 2010 18:19:12 +0330 MIME-Version: 1.0 Sent to CCL by: Shirin Seifert [shirin.seifert .. gmail.com] Hello : I have a similar porblem as Arash' post bellow. Any suggestions would be appreciated. Thank you. S.Seifert Hi All, I have a molecular system with two cations. I have tried ONIOM with the following line in the route section. However this does not generate any surface (HOMO) in gaussview when opening the checkpoint file. Thanks for your suggestions in advance ******************************************************************************* #p oniom(uhf/sto-3g*:uhf/sto-3g*) nosymm charge 1 2 1 2 1 2 ; two molecules with unity charge on each ; Two Cation structures with layers H & L point charges ******************************************************************************* Thanks a lot. AR