From owner-chemistry@ccl.net Mon Jul 11 21:03:43 2005 From: "CCL" To: CCL Subject: CCL: Running GVB on Gaussian98 Message-Id: <-28877-050711185534-24006-gJKokDZHWSap5rm98+rrIw.:.server.ccl.net> X-Original-From: =?ISO-8859-1?Q?Jo=E3o_Lins?= Content-Type: multipart/alternative; boundary="----=_Part_2066_11169291.1121122520094" Mime-Version: 1.0 Sent to CCL by: =?ISO-8859-1?Q?Jo=E3o_Lins?= ------=_Part_2066_11169291.1121122520094 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline Hi! Do you know how to define a sigma pair for a homo-diatomic molecule (ex:=20 Li2) in order to run a GVB/PP on Gaussian98? Thanks in advance. ---- Jo=E3o Ot=E1vio M. A. Lins ------=_Part_2066_11169291.1121122520094 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline
 Hi!

 Do you know how to define a sigma pair for a ho= mo-diatomic molecule (ex: Li2) in order to run a GVB/PP on Gaussian98?
 
 Thanks in advance.

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