From chemistry-request- at -www.ccl.net Fri Aug 21 05:41:41 1998 Received: from faui45.informatik.uni-erlangen.de (root#* at *#faui45.informatik.uni-erlangen.de [131.188.2.45]) by www.ccl.net (8.8.3/8.8.6/OSC/CCL 1.0) with ESMTP id FAA20857 Fri, 21 Aug 1998 05:41:32 -0400 (EDT) Received: from as1200.organik.uni-erlangen.de (as1200-1.organik.uni-erlangen.de [131.188.128.6]) by faui45.informatik.uni-erlangen.de (8.9.1/8.1.41-FAU) with ESMTP id LAA28397 for ; Fri, 21 Aug 1998 11:41:20 +0200 (MET DST) Received: from organik.uni-erlangen.de (henneman*- at -*worf.organik.uni-erlangen.de [131.188.128.106]) by as1200.organik.uni-erlangen.de (8.8.7/8.1.11-FAU) with ESMTP id LAA22656 for ; Fri, 21 Aug 1998 11:38:52 +0200 (MET DST) Sender: Matthias.Hennemann[ AT ]organik.uni-erlangen.de Message-ID: <35DD41E4.8159018 {*at*} organik.uni-erlangen.de> Date: Fri, 21 Aug 1998 11:46:12 +0200 From: Hennemann Matthias Organization: Computer Chemie Centrum FAU-Erlangen X-Mailer: Mozilla 4.04 [en] (X11; I; Linux 2.0.33 i586) MIME-Version: 1.0 To: chemistry -8 at 8- www.ccl.net Subject: anisotropic hyperfine splitting Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Greetings CCLers, Can anibody tell me if it is possible to calculate anisotropic hyperfine coupling constants with Gaussian94? I know how to calculate the isotropic hyperfine coupling constants from the fermi contact analysis done in Gaussian. Is a similar treatment possible for derivig the anisotropic values? Thanks -- Matthias Hennemann henneman%!at!%organik.uni-erlangen.de