From chemistry-request@ccl.net Mon Jun 27 09:17:48 2005 Received: from avmx.iitkgp.ernet.in (avmx.iitkgp.ernet.in [203.197.98.4]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j5RDHgO2003422 for ; Mon, 27 Jun 2005 09:17:44 -0400 Received: from webteam.iitkgp.ernet.in (localhost [127.0.0.1])by iitkgp.iitkgp.ernet.in (8.9.3/8.9.3) with ESMTP id RAA06416for ; Mon, 27 Jun 2005 17:50:59 -0500 (GMT) Received: (from apache@localhost)by webteam.iitkgp.ernet.in (8.11.2/8.11.6) id j5RCdka27128;Mon, 27 Jun 2005 18:09:46 +0530 Message-Id: <200506271239.j5RCdka27128)at(webteam.iitkgp.ernet.in> To: Subject: Potential energy and wavefunction From: Date: Mon, 27 Jun 2005 18:09:46 +051800 Reply-To: Errors-To: X-Priority: 3 (Normal) X-Originating-Ip: [203.197.98.11] X-Mailer: KGPMail v1.0 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: 8bit X-imss-version: 2.028 X-imss-result: Passed X-imss-scores: Clean:51.68933 C:2 M:3 S:5 R:5 X-imss-settings: Baseline:1 C:2 M:2 S:3 R:1 (0.0000 0.0000) X-Spam-Status: No, score=1.0 required=5.0 tests=INVALID_DATE,INVALID_TZ_GMT, NO_REAL_NAME autolearn=no version=3.0.4 X-Spam-Level: * X-Spam-Checker-Version: SpamAssassin 3.0.4 (2005-06-05) on server.ccl.net Hi, I want to know how can I calculate the potential energy of a molecule using gaussian software. And how the wavefunction of a mole has been printed in the output file in gaussian software? Thanking you in advance Utpal ___________________________________ IIT Kharagpur Mail v1.0 ***************************************** This Mail is Certified to be Virus Free. CIC Network Security Group, IIT Kharagpur *****************************************