Subject: Zr Parameters in Gaussian?

From: "Mark A. Zottola" <[email-masked]>
Date: Wed, 08 Nov 2000 14:42:16 -0600

Does Gaussian 's implementation of PM3 contain parameters for Zirconium?

I have been trying to do some sample calculations in Gaussian98 for Zr
and get the following error :

 NBasis=   4 NMin=   9 so simple Huckel guess is impossible.
 Error termination via Lnk1e in /usr/local/apps/g98.a7sv1/g98/l401.exe.

Is this error message Gaussian's obtuse way of saying it does not have
parameters for Zr?  

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Mark A. Zottola			Alabama Research and Education Network
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