From owner-chemistry@ccl.net Wed Mar 28 04:14:00 2012
From: "makowskm(~)chemia.uj.edu.pl" <owner-chemistry]*[server.ccl.net>
To: CCL
Subject: CCL: Opt with Full point group Symmetry in G09
Message-Id: <-46579-120328035640-30448-/SMjwJ4CcEoJPte3bWUX3Q]*[server.ccl.net>
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Date: Wed, 28 Mar 2012 09:56:31 +0200
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Sent to CCL by: makowskm__chemia.uj.edu.pl
Enforcing symmetrization of the density matrix should help. It is done by
SCF=DSymm.

>
> Sent to CCL by: "Mr Mi Yang" [agri_chemist\a/yahoo.com]
> First of all thanks for replies of Jimenez Vazquez, Cory Pye and others.
> Actually, I have used Z-matrix made by molden and it works perfect to
> maintain symmetry in G09 only
> for small molecules like benzene. But for a Fulleren like molecule to
> build Z-matrix manually is almost
> impossible.
>