CCL:G: G03: NMR Spin coupling and readatoms

From: Jerome Kieffer <Jerome.Kieffer^_^terre-adelie.org>
Subject: CCL:G: G03: NMR Spin coupling and readatoms
Date: Wed, 29 Apr 2009 22:03:42 +0200

Dear CCLers,

I encountered a problem trying to calculate the spin-spin NMR coupling for a limited set of atoms using the "readatoms" option of the NMR keywork in Gaussian'03 (rev E01).
Many problems have been reported on this mailing list regarding this option/keyword but no answer seemed to have been posted.
Is the IOp(10/48=10) equivalent to the readatoms ?
Thanks for your help.

With my best regards,

Jerome Kieffer

Jérôme Kieffer
http://www.terre-adelie.org