# 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.