Subject: SCRF in Gaussian92

From: "Savant Ahmed" <[email-masked]>
Date: Mon, 26 Jun 1995 13:06:48 -0400

Hi,

While trying to run a SCRF geometry optimization and frequency job on a
molecule with 261 basis functions[HF/6-311+G(2d,p)] with Mem=4000000 I get the
following error:

 NBasis is       261 maximum for raffinetti integral format is       255.
 Dimensioning error detected by BadBas.
 Error termination in Lnk1e.

Is there a way to fix this?

Thanks in advance.

Savant

-- 
Savant Ahmed

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From: [email-masked] (Mike Frisch)
Date: Mon, 26 Jun 1995 15:29:01 -0400 (EDT)

> Is there a way to fix this?

If you're doing anything above 100 basis functions, you should be using
SCF=Direct.  It's much faster than conventional SCF (the default) for
larger systems, does not require disk to store integrals, and
doesn't have the basis set size limits of the sort you've encountered.

Mike Frisch
[email-masked]

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From: [email-masked] (Mike Frisch)
Date: Mon, 26 Jun 1995 15:29:01 -0400 (EDT)

Mike Frisch
[email-masked]