NWChem 6.6-27746 error with aug-cc-pvdz but not with 6-31g


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OK, I'm glad you could reproduce the error.

I have filed a question at Launchpad: https://answers.launchpad.net/ubuntu/+source/nwchem/+question/661648

Thanks very much for changing the description and replying to it, and have a very good day, Dr. Aprà =)