From owner-chemistry {*at*} ccl.net Tue Sep 27 11:16:00 2011
From: "Hyunbok Lee mutebeat(-)gmail.com" <owner-chemistry#server.ccl.net>
To: CCL
Subject: CCL:G: imaginary frequency of anion molecule
Message-Id: <-45532-110927111347-4399-hARNRsDRpKPnAIKV1zumsg#server.ccl.net>
X-Original-From: "Hyunbok  Lee" <mutebeat() gmail.com>
Date: Tue, 27 Sep 2011 11:13:43 -0400


Sent to CCL by: "Hyunbok  Lee" [mutebeat^^^gmail.com]
Hello all,

I'm trying to optimize the anion geometry of a molecule with Gaussian 09W. 
However, the output has one imaginary frequency.
I'd like to make the optimized geometry has no imaginary frequency,
because imaginary freqency emerges when the geometry is located at no energetic minima. 
I successfully optimized the geometry with no imaginary frequency at HF/6-31G(d) level, but failed at B3LYP/6-31G(d) level. 
How can I get this? 
Any comments will be helpful.

Thanks in advance. 

Hyunbok Lee