Subject: CCL: problem with CIS optimisation

From: akila iyer <akil_chem<<at>>yahoo.co.in>
Date: Thu, 13 Jan 2005 08:52:39 +0000 (GMT)

Hello chemists,
         Good day.When I was trying to optimise a
molecule(24 atoms) at CIS/6-31+g(d) level, the
calculation stops after intial guess with the message
as follows:

"**** Warning!!: The largest alpha MO coefficient is 
0.14478257D+03

 Semi-Direct transformation.

 No file to extend for IUnit=  1 -- out of disk space.

 Error termination in NtrErr:

 NtrErr called from NtrExt.

       Can someone help me in this regard.

Thank you
with best regards
Akila.L

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