From owner-chemistry- at -ccl.net Mon Jan 23 11:46:00 2012
From: "partha kundu partha1kundu#gmail.com" <owner-chemistry(a)server.ccl.net>
To: CCL
Subject: CCL: problem in running frequency
Message-Id: <-46188-120123082826-14362-S5jOet1eALF4GYQDvYxv2w(a)server.ccl.net>
X-Original-From: partha kundu <partha1kundu]![gmail.com>
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Date: Mon, 23 Jan 2012 18:57:38 +0530
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Sent to CCL by: partha kundu [partha1kundu*o*gmail.com]
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Dear All,
I am running a frequency job for a large system which contains few
fragment.
I have used opt=verytight condition for optimization, still I am getting
errors:

Warning -- assumption of classical behavior for rotation

may cause significant error

Warning -- explicit consideration of 75 degrees of freedom as

vibrations may cause significant error

If I am only interested in frequency can I avoid those message, is it
publishable ?  Gaussview is not able to show vibrational information . What
does it mean ?

Thanks in advance.

Partha.

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Dear All,<br>
I am running a frequency job for a large system which contains few<br>
fragment.<br>
I have used opt=3Dverytight condition for optimization, still I am getting<=
br>
errors:<br>
<br>
Warning -- assumption of classical behavior for rotation<br>
<br>
may cause significant error<br>
<br>
Warning -- explicit consideration of 75 degrees of freedom as<br>
<br>
vibrations may cause significant error<br>
<br>
If I am only interested in frequency can I avoid those message, is it<br>
publishable ? =A0Gaussview is not able to show vibrational information . Wh=
at<br>
does it mean ?<br>
<br>
Thanks in advance.<br>
<br>
Partha.<br clear=3D"all"><br>

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