From szilagyi@indy.mars.vein.hu Thu Nov 14 03:44:42 1996 Received: from elod.vein.hu for szilagyi@indy.mars.vein.hu by www.ccl.net (8.8.2/950822.1) id DAA08671; Thu, 14 Nov 1996 03:24:26 -0500 (EST) Received: by elod.vein.hu (5.65/DEC-Ultrix/4.3) id AA09903; Thu, 14 Nov 1996 09:26:25 +0100 Received: from szilagyi.chemie.uni-marburg.de (pc15114.Chemie.Uni-Marburg.DE) by almos.venet (5.x/SMI-SVR4) id AA11300; Thu, 14 Nov 1996 09:24:13 +0100 Message-Id: <328AD736.258B@mm2.vein.hu> Date: Thu, 14 Nov 1996 09:24:22 +0100 From: "Szilagyi, Robert K." Reply-To: szilagyi@indy.mars.vein.hu Organization: =?iso-8859-1?Q?M=FCller?= Laboratory, Dept.Org.Chem., =?iso-8859-1?Q?Uni=2DVeszpr=E9m?=, HU X-Mailer: Mozilla 3.0 (Win95; I) Mime-Version: 1.0 To: chemistry@www.ccl.net Subject: Unit of the force constant within the G94 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit Dear Members, I am interested in the unit of force constant given in the output file of a Gaussian94 calculation. In the heading part of a frequency analyses the mDyne/A is given, but I receive nearly twice as it would be expected. I am tempting to say, that the unit is mDynd/Bohr instead of mDyn/A. Am I right? -- ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Robert K. Szilagyi Mueller Laboratory ph.d. student Dept. Organic Chemistry University of Veszprem szilagyi@mm2.vein.hu Veszprem, H-8201 POB. 158; Egyetem u. 10. Phone: +36 88 422022 extn. 395 HUNGARY Mobile: +36 20 461413 (temp. susp.) Fax: +36 88 427492 http://mm1.vein.hu/ ====================================================================== ********** All opinions are my own, NOT my employer's ! ********** ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ From yschickel@beilstein.com Thu Nov 14 08:37:43 1996 Received: from news.ossinc.net for yschickel@beilstein.com by www.ccl.net (8.8.2/950822.1) id HAA10147; Thu, 14 Nov 1996 07:55:34 -0500 (EST) Received: from news.ossinc.net ([194.152.36.18]) by news.ossinc.net (8.6.12/8.6.9) with SMTP id GAA15786 for ; Thu, 14 Nov 1996 06:57:04 -0700 Date: Thu, 14 Nov 1996 06:57:04 -0700 Message-Id: <199611141357.GAA15786@news.ossinc.net> X-Sender: yschickel@mail.beilstein.com X-Mailer: Windows Eudora Light Version 1.5.2 Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" To: chemistry@www.ccl.net From: Yvonne Schickel Subject: CHEST and Beilstein sign agreement for all UK Higher Education On November 1st 1996, Professor David VandeLinde, Vice Chancellor of the University of Bath, and Professor Dr Clemens Jochum of Beilstein signed a 5 year agreement for the provision of the Beilstein and Gmelin Databases to the UK Higher Education sector. Professor VandeLinde signed on behalf of CHEST (Combined Higher Education Software Team) who negotiated the agreement, and are based at the University of Bath. For further information, please visit the Beilstein Web Pages on URL: http://beilstein.com. *********************************** Yvonne Schickel Sales & Marketing Coordinator Beilstein Informationssysteme GmbH phone: +49-69-7917 410 fax: +49-69-7917 636 e-mail: yschickel@beilstein.com http://www.beilstein.com ***********************************