Subject: basis set

From: Gurpreet Singh <[email-masked]>
Date: Tue, 2 Apr 2002 06:09:08 -0800 (PST)

Dear all,
         I am presently running a calculation to
determine the electric field gradient tensors for a
large organic compound (72 atoms)(dimer 114 atoms)
in Gaussian 98. What would be the minimal basis set
for determining the efg tensors accurately ?

        MOreover are there any other public domain
sofware available to calculate the efg tensors ?

Gurpreet

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