From chemistry-request*- at -*ccl.net Fri May 6 15:37:07 2005 Received: from tiziano.phys.washington.edu (tiziano.phys.washington.edu [128.95.93.135]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j46Jb4LA024316 for ; Fri, 6 May 2005 15:37:05 -0400 Received: from tiziano.phys.washington.edu (localhost.localdomain [127.0.0.1]) by tiziano.phys.washington.edu (8.12.11/8.12.11) with ESMTP id j46IKgQC031252; Fri, 6 May 2005 11:20:42 -0700 Received: from localhost (fer /at\localhost) by tiziano.phys.washington.edu (8.12.11/8.12.11/Submit) with ESMTP id j46IKgDk031248; Fri, 6 May 2005 11:20:42 -0700 Date: Fri, 6 May 2005 11:20:42 -0700 (PDT) From: "Fernando D. Vila" To: eric breynaert cc: chemistry !! ccl.net Subject: Re: CCL:How to get bond stretching and bending force constants from gaussian freq calculation In-Reply-To: <6.1.2.0.2.20050506163222.02443960 !! mail.ulyssis.org> Message-ID: References: <6.1.2.0.2.20050506163222.02443960 !! mail.ulyssis.org> MIME-Version: 1.0 Content-Type: MULTIPART/MIXED; BOUNDARY="1602258781-46967469-1115403642=:29127" X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net This message is in MIME format. The first part should be readable text, while the remaining parts are likely unreadable without MIME-aware tools. --1602258781-46967469-1115403642=:29127 Content-Type: TEXT/PLAIN; charset=ISO-8859-1; format=flowed Content-Transfer-Encoding: 8BIT I would be very interested in the answers you get. Regards, Fer. On Fri, 6 May 2005, eric breynaert wrote: > Dear all, > > Is it possible to get bond stretching and bending force constants from a > gaussian freq calculation? > > Thanks, > > Eric > > --------- > * Eric Breynaert > * Labo voor Colloodchemie > * Departement Interfasechemie > * K.U.Leuven > * Kasteelpark Arenberg 23 > * B-3001 Leuven > * BELGIUM > * > * Tel: +3216321457 > * Fax: +3216321998 > --------- Ubi dubium ibi libertas. ******************************************************************************* Fernando D. Vila Voice (206)543-9697 Department of Physics Fax (206)685-0635 University of Washington E-mail fdv !! u.washington.edu Seattle, WA 98195, USA WWW http://faculty.washington.edu/fdv ******************************************************************************* --1602258781-46967469-1115403642=:29127--