From chemistry-request@server.ccl.net Mon Aug 21 13:10:25 2000 Received: from ucidoor.unitedcatalysts.com ([208.23.162.2]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id NAA28899 for ; Mon, 21 Aug 2000 13:10:25 -0400 Received: by ucidoor.unitedcatalysts.com; (8.8.8/1.3/10May95) id NAA30310; Mon, 21 Aug 2000 13:10:10 -0400 (EDT) Received: from 10.1.0.50 by ucismtp02.unitedcatalysts.com (InterScan E-Mail VirusWall NT); Mon, 21 Aug 2000 13:10:14 -0400 (Eastern Daylight Time) Received: from lvlxch01.unitedcatalysts.com ([10.1.0.88]) by lvlmail.unitedcatalysts.com (PMDF V5.2-32 #33820) with ESMTP id <0FZN00B3HJVI69@lvlmail.unitedcatalysts.com>; Mon, 21 Aug 2000 13:14:06 -0400 (EDT) Received: by lvlxch01.unitedcatalysts.com with Internet Mail Service (5.5.2650.21) id <3YY6MW73>; Mon, 21 Aug 2000 13:08:32 -0400 Content-return: allowed Date: Mon, 21 Aug 2000 13:08:31 -0400 From: "Shobe, Dave" Subject: model chemistries w/o optimization To: "'CCL'" , "'help@gaussian.com'" Message-id: <157A51F55AAAD3119CD70008C7B1629D6384DB@lvlxch01.unitedcatalysts.com> MIME-version: 1.0 X-Mailer: Internet Mail Service (5.5.2650.21) Content-type: text/plain; charset="iso-8859-1" Normally, model chemistries such as G2 and CBS-4 include an optimization step, and normally, this is desired. But is there a way to do the energy evaluations only? I'd like to calculate a vertical ionization energy for something I've calculated at the CBS-4 level. --David Shobe