# MOLPRO Basis Query, basis=def2-QZVPP-MP2FI

Basis sets taken from Turbomole basis set library at
http://bases.turbo-forum.com/TURBOMOLE_BASISSET_LIBRARY/tbl.html
on 2009-11-18.
Notes:
- For most elements (but not all of them!) the def1- and def2-
CFIT sets are identical. Due to this there is a large overlap
with ahlrichs_mp2fit.libmol. Duplicate sets have not been
eliminated here in order to make clear that what we have here
is the assignment done by the Turbomole library.
- The references given by the link above are partially wrong. They
have been fixed here, hopefully.
- The ASVP/ATZVPP/AQZVPP sets are generated from the SVP/TZVPP/
QZVPP sets by adding one set of even tempered diffuse functions.
- Gerald Knizia, 2009-11-20, 2010-08-26
Updates on 2012-08-15:
- The previous version contained some VERY serious errors (again,
due to broken source data from the website when the original
version was made):
H:
SVP was missing the contraction on the d functions,
TZVPP had the d functions missing completely(!)
Li:
SVP was missing the contraction on the d functions.
B,N,C,O,F,Ne:
SVP was missing the contraction on the f functions.
TZVPP had the d functions missing completely(!)
- Removed the fittig sets for the partially polarized sets SV(P),
TZVP, QZVP. They there not complete here, and the orbital sets
are not meant for correlated calculation anyway.
- Gerald Knizia, 2012-08-15