An error occured while computing integrals?

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12:42:30 PM PST - Mon, Nov 26th 2012
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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