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Date: Thu, 9 Sep 2004 16:28:51 +0200 (MEST)
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From: Goedele Roos <groos!at!vub.ac.be>
To: chemistry!at!ccl.net
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Subject: dipoles
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Dear all,
Is there anyone who knows why dipole moments calcultaed with a 6-31++G** basis set are worser (deviate more from experimental values) than those calculated with a 6-31G* basis set?
I used B3LYP as calculation method and I tested it for 10 molecules.
Thank you in advance for help,
Best regards, Goedele

Drs. Goedele Roos
Dienst Algemene Chemie (ALGC)
Vrije Universiteit Brussel (VUB)
Pleinlaan 2
B-1050 Brussels
Tel: 0032-2-629 35 16
Fax: 0032-2-629 33 17