From owner-chemistry@ccl.net Thu Nov  2 07:45:00 2017
From: "David A Case david.case],[rutgers.edu" <owner-chemistry^server.ccl.net>
To: CCL
Subject: CCL:G: Problem with nmr readatoms in g03
Message-Id: <-53055-171101083903-19741-idjr5HF6EhHiYKDiQm8/BQ^server.ccl.net>
X-Original-From: David A Case <david.case===rutgers.edu>
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Date: Wed, 1 Nov 2017 08:38:49 -0400
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Sent to CCL by: David A Case [david.case^rutgers.edu]
On Tue, Oct 31, 2017, Otavio Fuganti zoxfuganti/ayahoo.com.br wrote:
> 
> 
> I try to use the option 'readatoms' in nmr keyword, Gaussian03 RevD.01,
> and not work.  This option is in manual. What is the problem?

readatoms only applies to the calculation of spin-spin coupling constants: is
that what you are trying to compute?  (That is, have you also included
the "SpinSpin" option?)

If this is not the problem, more information would be needed about your
input and the associated error message.  Or, you could contact Gaussian help.

....dave case