Subject: molecular volume calculations.

From: Qiang Cui <[email-masked]>
Date: Mon, 8 Dec 1997 22:39:04 -0500 (EST)

Hi, folks.

a simple question concerning the MC volume calculations implemented in the
Gaussian program. Most times I can get a sensible number out of the
calculations, but sometimes I got ridiculous number like 0.000
bohr**3/mol!? Is this caused by the diffuse functions I've included? Is
there a way to get rid of the problem?

Thanks!

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Qiang Cui                   
Dept. of Chem.                   _ __..-;''`--/'/ /.',-`-.
Harvard Univ.                  (`/' ` |  \ \ \\ / / / / .-'/`,_
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