From chemistry-request -8 at 8- server.ccl.net Mon Jul 31 19:17:44 2000 Received: from chala.q1.fcen.uba.ar (chala.q1.fcen.uba.ar [157.92.31.25]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id TAA20768 for ; Mon, 31 Jul 2000 19:17:39 -0400 Received: from localhost (damian ^%at%^ localhost) by chala.q1.fcen.uba.ar (8.9.3/8.9.3) with ESMTP id WAA05174; Mon, 31 Jul 2000 22:38:01 +0200 Date: Mon, 31 Jul 2000 22:38:01 +0200 (MEST) From: =?X-UNKNOWN?Q?Dami=E1n_Scherlis?= To: help %-% at %-% gaussian.com cc: chemistry \\at// ccl.net Subject: HF + UHF in g98 In-Reply-To: <20000712101537.B132991:~at~:gershwin> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII Hello. I've run into a problem when trying to run an open shell calculation using both HF and UHF in the Route Section: when I do this the program performs a ROHF calculation. On the other side, g98 works fine if I specify whether HF or UHF. Is that due to the fact that since UHF is the default for HF, the redundancy is misunderstood ?