


MOLPRO Basis Query (current), basis=def2TZVPPJKFITNotes:  There are no dedicated JKFIT basis sets for def2SVP. 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 def2SVP/JKFIT sets given here are equal to the def2TZVPP/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 decontractions 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, 20110331 Updates:  Added def2/JKFIT basis sets for Lanthanides from Gulde, Pollak, Weigend: J. Chem. Theory Comput., 8, 4062 (2012)  Gerald Knizia, 20160513. 