An error occured while computing integrals?

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Alex
Your failure might have been cause by a variety of factors (disk failure, bug in the code, etc ...)
I would follow the advice printed in the output file
CHANGE TO DIRECT SCF
by adding the keyword "direct" in the SCF input section.
For your case, it seems a safer option to switch from disk based SCF to direct SCF.

Cheers, Edo


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