From owner-chemistry:~at~:ccl.net Tue Sep 18 10:00:01 2007
From: "Debellis Anthony CE US anthony.debellis-*-cibasc.com" <owner-chemistry/./server.ccl.net>
To: CCL
Subject: CCL:G: GAUSSIAN-basis sets
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X-Original-From: Debellis Anthony CE US <anthony.debellis .. cibasc.com>
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Date: Tue, 18 Sep 2007 09:12:30 -0400
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Sent to CCL by: Debellis Anthony CE US [anthony.debellis ~~ cibasc.com]
Julie,
You should consult the Gaussian manual under the keywords GEN, GENECP,
and PSEUDO.  The use of mixed basis sets is explained there.
Anthony=20

-----Original Message-----
> From: owner-chemistry..ccl.net [mailto:owner-chemistry..ccl.net]=20
Sent: Monday, September 17, 2007 9:07 PM
To: Debellis Anthony CE US
Subject: CCL:G: GAUSSIAN-basis sets


Sent to CCL by: "Julie H Hwang" [jhwang5=3D-=3Dmail.rochester.edu] Dear =
all,

Hi I have a question on choosing basis set(s).
I want to calculate Raman spectra peaks for ferrocene and I was
wondering if I can choose different basis sets for non-metals (C and H)
and metal (Fe).
I tried to look up the Gaussian manual, but they didn't specify the
availability of such option.

Thank you for your time!



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