cc-pCV6Z for 2nd row (Al-Ar) in error


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Kirk
The whole problem for the Al-Ar series seems to be due to the fact that the BSE entry is built by grafting extra functions on top of the cc-pV6Z basis and the cc-pV6Z basis contains that (third?) contractions that causes the linear dependence you mention.
I will see what I can do to fix the problem. Let me know if my understanding of the problem is correct