6:02:03 PM PDT - Mon, Oct 17th 2016 |
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Edo,
The Molpro format looks a bit strange to me. For example, the s-type functions have two contractions running from exponents 1 to 21 and then instead of uncontracting functions 12 through 21, the primitives are duplicated (yielding 22 through 31). A similar thing also happens with the p's. Compare this to what I uploaded in cc-pCV6Z (2nd row).
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