From chemistry-request@ccl.net Fri May 14 06:02:51 2004 Received: from mail-gw.vnuhcm.edu.vn (server.hcmier.edu.vn [203.162.44.57] (may be forged)) by server.ccl.net (8.12.8/8.12.8) with ESMTP id i4EB2Kkh027481 for ; Fri, 14 May 2004 06:02:29 -0500 Received: (from amavis@localhost) by mail-gw.vnuhcm.edu.vn (8.12.8/8.12.8) id i4EAxhU3031377 for chemistry=at=ccl.net; Fri, 14 May 2004 17:59:43 +0700 Received: from vnuserv.vnuhcm.edu.vn (vnuserv.vnuhcm.edu.vn [172.16.1.2]) by mail-gw.vnuhcm.edu.vn (8.12.8/8.12.8) with ESMTP id i4EAxf9q031366 for ; Fri, 14 May 2004 17:59:41 +0700 Received: from Services.hcmuns.edu.vn ([172.29.1.2]) by vnuserv.vnuhcm.edu.vn (8.9.3/8.8.7) with SMTP id LAA27487; Fri, 14 May 2004 11:04:40 GMT Received: from Server.vnuhcm.edu.vn. by VNU-Gateway with ESMTP Ver (1.1Plus) for recipient addresses : Received: from webserver.csc.hcmuns.edu.vn (Mailbox.hcmuns.edu.vn [172.29.14.10]) by Services.hcmuns.edu.vn (8.12.10/8.12.8) with ESMTP id i4EAM28k029359 for ; Fri, 14 May 2004 17:22:02 +0700 Received: from hcmuns.edu.vn (localhost [127.0.0.1]) by webserver.csc.hcmuns.edu.vn (8.12.11/8.12.11) with ESMTP id i4EAdYRB025731 for ; Fri, 14 May 2004 17:39:41 +0700 (GMT) From: "Phung Quan - Khoa Hoa" To: CHEMISTRY=at=ccl.net Reply-To: quanph=at=hcmuns.edu.vn Subject: Define O3LYP in Gaussian03 Date: Fri, 14 May 2004 17:39:34 +0700 Message-Id: <20040514103547.M15408=at=hcmuns.edu.vn> X-Mailer: Open WebMail 2.00 20030325 X-OriginatingIP: 134.58.49.72 (quanph) MIME-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 X-Virus-Scanned: by AMaViS 0.3.13pre2 X-Spam-Status: No, hits=1.0 required=7.5 tests=NO_RDNS2 autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Dear all, I've would like to define the methoad O3LYP in Gaussain 03. O3LYP = 0.1161XHX + 0.9262XS + 0.8133OPTX + 0.19VWN5 + 0.81LYP Please, help me the way to define it in Gaussian03. Thanks, ======================================================= Phung Quan Falculty of Chemistry University of Natural Sciences, VietNam National University of HoChiMinh City 227 Nguyen Van Cu St., Dist. 5, HoChiMinh City, VietNam Email: quanph=at=hcmuns.edu.vn or quanph_2000=at=hotmail.com or quanph_2000=at=yahoo.com quan.phung=at=chem.kuleuven.ac.be