From owner-chemistry@ccl.net Wed Nov  9 09:48:00 2005
From: "Telkuni Tsuru telkuni .. venus.dti.ne.jp" <owner-chemistry/./server.ccl.net>
To: CCL
Subject: CCL:G: Multi-step ONIOM
Message-Id: <-29909-051109092652-11785-KPPi6HPLg9IjMnTD0WXSQQ/./server.ccl.net>
X-Original-From: "Telkuni Tsuru" <telkuni~~venus.dti.ne.jp>
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Date: Wed, 9 Nov 2005 23:26:51 +0900
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Sent to CCL by: "Telkuni Tsuru" [telkuni]-[venus.dti.ne.jp]
Hello, CCLers.

I like to ask the description of multi-step ONIOM job on Gaussian98W.
For example, the following input is correct?

======= input ========
%Chk=NaCl

#T ONIOM(HF/6-31G(d):HF/3-21G(d)) SP

NaCl SinglePoint-1 Na(High) Cl(Low)

0,1 0,1
Na            2.000000      0.000000      0.000000    H
Cl            0.000000      0.000000      0.000000     L

--Link1--
%Chk=NaCl

#T ONIOM(HF/6-311+G(d,p):HF/6-31G(d)) SP Geom=Check Guess=Read

NaCl SinglePoint-2 Na(High) Cl(Low)

0,1 0,1
Na              H
Cl               L

======= end of input =======

If you don't mind, please point out the wrong part and teach me correct 
description.
Any responses I'll appreciate. I will summarize them and upload to this ML.


   Sincerely yours,
----------------------------------------------------
         Telkuni Tsuru     telkuni[-]venus.dti.ne.jp 
              Bunshi Gijyutu
            [this "venus" means the planet "venus".]