From chemistry-request;at;server.ccl.net Tue May 14 11:29:42 2002 Received: from oc30.uni-paderborn.de ([131.234.240.90]) by server.ccl.net (8.11.6/8.11.0) with ESMTP id g4EFTgg07445 for ; Tue, 14 May 2002 11:29:42 -0400 Received: (from ib%!at!%localhost) by oc30.uni-paderborn.de (SGI-8.9.3/8.9.3) id VAA21484; Tue, 14 May 2002 21:02:52 +0200 (CEST) Date: Tue, 14 May 2002 21:02:52 +0200 (CEST) Message-Id: <200205141902.VAA21484[ AT ]oc30.uni-paderborn.de> X-Authentication-Warning: oc30.uni-paderborn.de: ib set sender to ib -A_T- oc30.uni-paderborn.de using -f From: Ingo Brunberg To: kleb%!at!%chemie.uni-dortmund.de CC: chemistry: at :ccl.net In-reply-to: <3CE11953.B11E62F5 _-at-_)chemie.uni-dortmund.de> (message from dck on Tue, 14 May 2002 16:04:03 +0200) Subject: Re: CCL:how to suppress the standard orientation in G98? References: <3CE11953.B11E62F5 ^at^ chemie.uni-dortmund.de> Short answer, try NoSymm. Regards, Ingo Brunberg > Date: Tue, 14 May 2002 16:04:03 +0200 > From: dck > X-Accept-Language: de,en > Content-Type: text/plain; charset=us-ascii > Sender: "Computational Chemistry List" > Precedence: bulk > > hello! > > how can i suppress the standard orientation in G98, and force g98 to > calculate the molecules properties in the geometry, given in the input? > or in other words, what's the keyword or iop corresponding to the > coord=unique in GAMESS. > > yours > > dc kleb >