From owner-chemistry@ccl.net Thu Apr  9 16:57:00 2009
From: "Duy Le ttduyle ~ gmail.com" <owner-chemistry{=}server.ccl.net>
To: CCL
Subject: CCL:G: Fixing coordinate system in Gaussian
Message-Id: <-39051-090409165410-8651-kSKO6enKpedwKe585aHRQA{=}server.ccl.net>
X-Original-From: Duy Le <ttduyle[#]gmail.com>
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Date: Thu, 9 Apr 2009 16:53:38 -0400
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Sent to CCL by: Duy Le [ttduyle**gmail.com]
It is better this way so that Gaussian can improve speed of
calculation due to some needed geometry operations. Writing a tiny
code to translate it (if necessary) will be the cheaper. :-)

On Thu, Apr 9, 2009 at 11:53 AM, Mike Clark mike.clark28#%#yahoo.co.uk
<owner-chemistry],[ccl.net> wrote:
>
> Sent to CCL by: "Mike =A0Clark" [mike.clark28{}yahoo.co.uk]
> Hi all
>
> I am trying to do a single point calculation in Gaussian, the input is in=
 cartesian coordinates, but the definition for the coordinate system are tr=
anslated/rotated in the results file, is there anyway to force gaussian to =
use the fix input coordinates, while its possible to convert the results to=
 the origin coordinates its just seems alot of unnecessary work, there must=
 be an easier way to do this.
>
> Best
>
> Mike Clark
>
>
>
> -=3D This is automatically added to each message by the mailing script =
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