MOLPRO Basis Query, basis=def2-ATZVPP-JKFI


 Notes:
   - There are no dedicated JKFIT basis sets for def2-SVP. This is
     probably because for very small basis sets RHF can also be done
     efficiently in the conventional way.
     Nevertheless, sometimes we need them. The def2-SVP/JKFIT sets
     given here are equal to the def2-TZVPP/JKFIT sets minus the
     highest angular momentum.

   - The ASVP/ATZVPP/AQZVPP sets are generated from the SVP/TZVPP/
     QZVPP sets by adding one set of even tempered diffuse functions.

   - The previous version of this file, which was generated from the
     Turbomole website output on 11/2009, contained errors. These were
     mainly accidental de-contractions of the last contracted function
     per angular momentum. This might have made calculations slightly
     more expensive, but effects on calculated energies should be low.

 - Gerald Knizia, 2011-03-31

 Updates:
   - Added def2/JKFIT basis sets for Lanthanides from
     Gulde, Pollak, Weigend: J. Chem. Theory Comput., 8, 4062 (2012)

 - Gerald Knizia, 2016-05-13.