From chemistry-request@server.ccl.net Sat Jan 18 23:38:41 2003 Received: from yosano.center.osaka-wu.ac.jp ([163.226.4.22]) by server.ccl.net (8.11.6/8.11.0) with SMTP id h0J4ceV00507 for ; Sat, 18 Jan 2003 23:38:40 -0500 Received: (qmail 1183 invoked by alias); 19 Jan 2003 13:38:38 +0900 Received: (qmail 1177 invoked from network); 19 Jan 2003 13:38:38 +0900 Received: from aloe.nsci.osaka-wu.ac.jp (HELO localhost) (tamtam@163.226.5.41) by yosano.center.osaka-wu.ac.jp with SMTP; 19 Jan 2003 13:38:38 +0900 To: chemistry@ccl.net Subject: Re: CCL:GAMESS In-Reply-To: <83877682.20030118151053@vaidila.vdu.lt> References: <83877682.20030118151053@vaidila.vdu.lt> X-Mailer: Mew version 1.94.1 on Emacs 19.34 / Mule 2.3 (SUETSUMUHANA) Mime-Version: 1.0 Content-Type: Text/Plain; charset=us-ascii Content-Transfer-Encoding: 7bit Message-Id: <20030119133837Z.tamtam@center.osaka-wu.ac.jp> Date: Sun, 19 Jan 2003 13:38:37 +0900 From: Tamio Tsukamoto X-Dispatcher: imput version 990905(IM130) Lines: 25 Dear Arturas, a3arzi> Methylene...1-A-1 state...RHF/STO-2G a3arzi> C1 1 a3arzi> a3arzi> C a3arzi> H 1 rCH a3arzi> H 1 rCH 2 aHCH a3arzi> a3arzi> rCH=1.09 a3arzi> aHCH=110.0 a3arzi> $END If the point group is C1(no symmetry), skip over cards -3- and -4- (which means no blank Card). (See the first page of $DATA section of Manual) -------------------------------------------------------------------------- Tamio Tsukamoto Department of Environmental Sciences, Faculty of Science, E-mail:tamtam@center.osaka-wu.ac.jp Osaka Women's University, Phone: +81 72-222-4811 (ex.4321) Daisen-Cho, Sakai 590-0035 Japan Fax: +81 72-222-4791 -------------------------------------------------------------------------- PGP Key fingerprint = 39 05 6E 24 B0 8D 6B 58 02 CF E8 DB 09 94 5B 7F