Subject: Wiberg Bond order analysis

From: akila iyer <akil_chem * yahoo.co.in>
Date: Tue, 10 May 2005 07:54:09 +0100 (BST)

Dear Chemists,
           During reaction modelling, wiberg bond
orders were computed using NBO in G98.One such
calculation (for a Transtion state) at
b3lyp/6-31+g(d,p) level ended with an error " NBO
cannot handle linearly dependent basis set".But
successful bond order calculations were possible for
the reactants at the same level.It would be of great
help if someone helps me in knowing the reason of the
error and how to get out of it.
Advanced Thanks

sincerely
L.Akila
India

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