From chemistry-request@ccl.net Wed Jun 15 11:18:46 2005
Received: from zproxy.gmail.com (zproxy.gmail.com [64.233.162.204])
	by server.ccl.net (8.13.1/8.13.1) with ESMTP id j5FFIgSp020531
	for <chemistry !! ccl.net>; Wed, 15 Jun 2005 11:18:43 -0400
Received: by zproxy.gmail.com with SMTP id 13so76735nzp
        for <chemistry !! ccl.net>; Wed, 15 Jun 2005 08:18:41 -0700 (PDT)
DomainKey-Signature: a=rsa-sha1; q=dns; c=nofws;
        s=beta; d=gmail.com;
        h=received:message-id:date:from:reply-to:to:subject:in-reply-to:mime-version:content-type:references;
        b=Hh3XnYNH2w/Gq1Unqr4j1ulCM1rTgpXVKL5xexpiGr5x6d9X4XbWAJedcMc/am4U5hvhd9stmxjySwY61lbvfHkOWmo/Pb6gpVkKKx1n9iSUU5GSRLdrMVtx6jW2V2SSc4NAj12gnJgTSraOsVEmgU8C+0zWJYxGhhpn8lKzAY0=
Received: by 10.36.57.20 with SMTP id f20mr4530169nza;
        Wed, 15 Jun 2005 08:18:41 -0700 (PDT)
Received: by 10.36.7.4 with HTTP; Wed, 15 Jun 2005 08:18:41 -0700 (PDT)
Message-ID: <f79359b605061508183991c05e !! mail.gmail.com>
Date: Wed, 15 Jun 2005 11:18:41 -0400
From: Gustavo Seabra <gustavo.seabra !! gmail.com>
Reply-To: 
To: chemistry !! ccl.net
Subject: Re: CCL:How to print overlap matrix in gaussian 03
In-Reply-To: <20050615015121.94696.qmail !! web15104.mail.cnb.yahoo.com>
Mime-Version: 1.0
Content-Type: multipart/alternative; 
	boundary="----=_Part_3066_15790461.1118848721877"
References: <20050615015121.94696.qmail !! web15104.mail.cnb.yahoo.com>
X-Spam-Status: No, score=1.5 required=5.0 tests=HTML_50_60,HTML_MESSAGE,
	RCVD_BY_IP,REPLY_TO_EMPTY autolearn=no version=3.0.3
X-Spam-Level: *
X-Spam-Checker-Version: SpamAssassin 3.0.3 (2005-04-27) on server.ccl.net

------=_Part_3066_15790461.1118848721877
Content-Type: text/plain; charset=ISO-8859-1
Content-Transfer-Encoding: quoted-printable
Content-Disposition: inline

On 6/14/05, renyanliang <yanliangren_2002 !! yahoo.com.cn> wrote:
>=20
> Dear All:
> Now, I want to check the overlap integral matrix
> (S) in the output file of the gaussian 03 program, who
> can give me some advice to make gaussian 03 print this
> matrix. or which program can print it.
> Best Wish!


Try using IOp(4/34=3D1). But beware: it will print **a lot** of stuff. Try =
it=20
with a single point calculation first.

HTH.


--=20
---------------------------------------------------------------------------=
------------------
Gustavo Seabra Postdoctoral Associate
Quantum Theory Project University of Florida
Registered Linux user number 381680
Say NO! to software patents: http://www.nosoftwarepatents.com
---------------------------------------------------------------------------=
------------------
If at first you don't succeed...
...skydiving is not for you.

------=_Part_3066_15790461.1118848721877
Content-Type: text/html; charset=ISO-8859-1
Content-Transfer-Encoding: quoted-printable
Content-Disposition: inline

On 6/14/05, <b class=3D"gmail_sendername">renyanliang</b> &lt;<a href=3D"ma=
ilto:yanliangren_2002 !! yahoo.com.cn">yanliangren_2002 !! yahoo.com.cn</a>&gt; w=
rote:<div><span class=3D"gmail_quote"></span><blockquote class=3D"gmail_quo=
te" style=3D"border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt=
 0.8ex; padding-left: 1ex;">
Dear All:<br>&nbsp;&nbsp;&nbsp;&nbsp;Now, I want to check the overlap integ=
ral matrix<br>(S) in the output file of the gaussian 03 program, who<br>can=
 give me some advice to make gaussian 03 print this<br>matrix. or which pro=
gram can print it.
<br>&nbsp;&nbsp; Best Wish!</blockquote><div><br>
Try using IOp(4/34=3D1). But beware: it will print **a lot** of stuff. Try =
it with a single point calculation first.<br>
<br>
HTH.<br>
&nbsp;<br>
</div><br></div>-- <br>----------------------------------------------------=
-----------------------------------------<br>Gustavo
Seabra&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nb=
sp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;=
&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;Pos=
tdoctoral
Associate<br>Quantum Theory
Project&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&n=
bsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp=
;&nbsp;&nbsp;&nbsp;&nbsp;
University of Florida<br>Registered Linux user number 381680<br>Say NO! to =
software patents: <a href=3D"http://www.nosoftwarepatents.com">http://www.n=
osoftwarepatents.com</a><br>-----------------------------------------------=
----------------------------------------------
<br>If at first you don't succeed...<br>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp=
;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&n=
bsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;...sk=
ydiving
is not for you.

------=_Part_3066_15790461.1118848721877--