From chemistry-request@ccl.net Wed Mar 2 10:19:35 2005 Received: from smtp005.mail.ukl.yahoo.com (smtp005.mail.ukl.yahoo.com [217.12.11.36]) by server.ccl.net (8.12.8/8.12.8) with SMTP id j22FJVqg030521 for ; Wed, 2 Mar 2005 10:19:31 -0500 Received: from unknown (HELO yahoo.it) (efunit@193.205.194.2 with plain) by smtp005.mail.ukl.yahoo.com with SMTP; 2 Mar 2005 14:19:30 -0000 Message-ID: <4225CB70.8070606~at~yahoo.it> Date: Wed, 02 Mar 2005 15:19:28 +0100 From: Michele Lunelli User-Agent: Mozilla/5.0 (X11; U; Linux i686; en-US; rv:1.4.3) Gecko/20040924 X-Accept-Language: en-us, en MIME-Version: 1.0 To: chemistry~at~ccl.net Subject: Re: CCL:hindrotor option in g03 References: In-Reply-To: Content-Type: text/plain; charset=us-ascii; format=flowed Content-Transfer-Encoding: 7bit X-Spam-Status: No, hits=0.0 required=7.5 tests=none autolearn=no version=2.61 X-Spam-Checker-Version: SpamAssassin 2.61 (1.212.2.1-2003-12-09-exp) on servernd.ccl.net Victor M. Rayon Rico wrote: > Problem with the number of degrees of freedom > > Is it possible to overcome this problem somehow? > Try to remove some degree of freedom using the ModRedundant option of the Frequency keyword. Usually it works, although I don't know if it is completely correct. Regards, Michele Lunelli