Subject: convergence problem with AM1 calculation using Gaussian98

From: "Coussens, Betty" <[email-masked]>
Date: Tue, 4 Feb 2003 14:45:56 +0100

Dear all,

I am trying to perform an AM1 calculation on a system containing H, C, Si,
O, Mg and Cl atoms using the Gaussian98 package.  Previous calculations on
this system using Vamp were succesful; however, due to cost reductions, this
package is no longer available to me.  With Gaussian98, severe convergence
problems are encountered.  Suprisingly, the same system converges without
problems at the PM3 level.
Does anybody has an idea what's going on in the AM1 computation?

Thanks in advance!

Bety  

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