cc-pCV6Z for 2nd row (Al-Ar) in error
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8:47:31 AM PDT - Mon, Oct 17th 2016
Edo,
it still looks wrong to me, e.g., the NWChem entry has 2 HF p contractions and the Molpro ones look different but odd. Can you define the cc-pCV6Z set independently of cc-pV6Z?
thanks, -Kirk