From chemistry-request %-% at %-% server.ccl.net Tue Jun 22 09:35:09 1999 Received: from chemie.fu-berlin.de (qmailr {*at*} koala.chemie.fu-berlin.de [160.45.20.25]) by server.ccl.net (8.8.7/8.8.7) with SMTP id JAA16451 for ; Tue, 22 Jun 1999 09:35:08 -0400 Received: (qmail 2280 invoked by uid 6499); 22 Jun 1999 13:25:27 -0000 Date: Tue, 22 Jun 1999 15:25:27 +0200 (MET DST) From: Leticia Gonzalez Herrero Reply-To: Leticia Gonzalez Herrero To: chemistry \\at// ccl.net Subject: water normal modes Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Dear CCLers, I'd like to compute the 3D PES of the water molecule taking as coordinates the 3 normal modes of the H2O. Anybody knows how to express these normal modes in terms of the cartesian coordinates or any reference where it is already done? Thank you for our replies! Leticia =-=-=-=-=-=-=-==-=-=-=-=-=-=-=-==-=-=-=-=-=-=-=-==-=-=-=-=-=-=-=-=-=-=-=-=-= Leticia Gonzalez Freie Universitaet Berlin Tel: ()49 30 838 2097 Institut fuer Physikalische und Theoretische Chemie Takustrasse 3 D-14195 Berlin E-Mail: leti-!at!-chemie.fu-berlin.de =-=-=-=-=-=-=-==-=-=-=-=-=-=-=-==-=-=-=-=-=-=-=-==-=-=-=-=-=-=-=-=-=-=-=-=-=