From chemistry-request@ccl.net Thu May 12 16:36:54 2005 Received: from charlotte.lfc.edu (charlotte.lfc.edu [164.68.1.26]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j4CKapcp003646 for ; Thu, 12 May 2005 16:36:51 -0400 Received: from conversion-daemon.charlotte.lfc.edu by charlotte.lfc.edu (iPlanet Messaging Server 5.2 Patch 2 (built Jul 14 2004)) id <0IGE0050163HE6/at/charlotte.lfc.edu> (original mail from alterrc/at/charlotte.lfc.edu) for chemistry/at/ccl.net; Thu, 12 May 2005 14:30:54 -0500 (CDT) Received: from pmas-daemon.charlotte.lfc.edu by charlotte.lfc.edu (iPlanet Messaging Server 5.2 Patch 2 (built Jul 14 2004)) id <0IGE0050167IGD/at/charlotte.lfc.edu> for chemistry/at/ccl.net; Thu, 12 May 2005 14:30:54 -0500 (CDT) Received: from charlotte.lfc.edu (localhost [127.0.0.1]) by charlotte.lfc.edu (iPlanet Messaging Server 5.2 Patch 2 (built Jul 14 2004)) with ESMTP id <0IGE00LR067HQ4/at/charlotte.lfc.edu> for chemistry/at/ccl.net; Thu, 12 May 2005 14:30:53 -0500 (CDT) Received: from [164.68.15.82] by charlotte.lfc.edu (mshttpd); Thu, 12 May 2005 14:30:53 -0500 Date: Thu, 12 May 2005 14:30:53 -0500 From: alterrc/at/charlotte.lfc.edu Subject: ONIOM frequency Calculation To: chemistry/at/ccl.net Message-id: <7b9072c4.72c47b90/at/charlotte.lfc.edu> MIME-version: 1.0 X-Mailer: iPlanet Messenger Express 5.2 Patch 2 (built Jul 14 2004) Content-type: text/plain; charset=us-ascii Content-language: en Content-transfer-encoding: 7BIT Content-disposition: inline X-Accept-Language: en Priority: normal X-PMAS-Software: PreciseMail V2.0 [050508] (charlotte) X-PMAS-Allowed: Message allowed by system rule X-Spam-Status: No, score=0.2 required=5.0 tests=NO_REAL_NAME autolearn=no version=3.0.3 X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net I am running a 2-layered ONIOM frequency calculation on Gaussian '03. The higher level is a b3lyp/lanl2mb and the lower is UFF. After the engery calculation if finished, the error message "Uncompressed Fx but compression in L1002." is received and the calculation terminated. Can anyone help me to understand this error and what I can do to fix it? Rachel C. Alter alterrc/at/lfc.edu