From owner-chemistry@ccl.net Mon May  8 19:43:00 2006
From: "zjwu zjwu[a]imr.edu" <owner-chemistry_+_server.ccl.net>
To: CCL
Subject: CCL:G: error in frequency calculation
Message-Id: <-31710-060508193834-6855-EsNfr6an51/cN72tvjlIVA_+_server.ccl.net>
X-Original-From: "zjwu" <zjwu#%#imr.edu>
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Date: Tue, 9 May 2006 07:50:37 +0900
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Sent to CCL by: "zjwu" [zjwu(-)imr.edu]
Dear All,

Recently, I have calculated the electronic properties of molecules containing transition metal (also radioactive) Tc. However, during my calculation, I have found that the geometry optimization was finished perfectly, but the frequency calculation teminated with an error message. Here in the following, I attached an error message from a calculation of diatomic molecule TcC:

Defaulting to unpruned grid for atomic number  43.
 Full mass-weighted force constant matrix:
 Low frequencies ---     -NaNQ     -NaNQ     -NaNQ     -NaNQ     -NaNQ     -NaNQ
 Molecule is linear but NTrRo=3.
 Error termination via Lnk1e in /opt/g03/g03/l716.exe


Does anybody know how to solve the problem?  

Thank you very much.

Regards,

Zhijian WU