From chemistry-request%!at!%server.ccl.net Thu Apr 25 18:52:56 2002 Received: from imo-m05.mx.aol.com ([64.12.136.8]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g3PMquA24314 for ; Thu, 25 Apr 2002 18:52:56 -0400 Received: from uccajgo7 /at\netscape.net by imo-m05.mx.aol.com (mail_out_v32.5.) id g.4.3ac4a06 (16237) for ; Thu, 25 Apr 2002 18:52:37 -0400 (EDT) Received: from netscape.com (mow-m30.webmail.aol.com [64.12.137.7]) by air-in03.mx.aol.com (v84.14) with ESMTP id MAILININ31-0425185237; Thu, 25 Apr 2002 18:52:37 -0400 Date: Thu, 25 Apr 2002 18:52:37 -0400 From: uccajgo7 %-% at %-% netscape.net (Jorge Gonzalez Outeirino) To: chemistry- at -ccl.net Subject: DeMon NMR Message-ID: <1A661AF6.05B85BDF.00A8F98F- at -netscape.net> X-Mailer: Atlas Mailer 2.0 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit Dear all, I am running a DeMonNMR calculation to predict the 3JHC in a compound with a sulfur atom with a positive charge.Can someone suggest me an Orbital/Auxiliary basis set for that? I am trying the iii_iglo and ii3_iglo and I am having travels. Thanks Jorge -- Jorge Gonzalez Outeirino Complex Carbohydrate Research Center University of Georgia 220 Riverbend Road 30602 Athens Georgia USA e-mail: uccajgo7[ AT ]netscape.net __________________________________________________________________ Your favorite stores, helpful shopping tools and great gift ideas. Experience the convenience of buying online with Shop.,at,.Netscape! http://shopnow.netscape.com/ Get your own FREE, personal Netscape Mail account today at http://webmail.netscape.com/