[molpro-user] two bugs/bugettes in MOLPRO

[Gerald Knizia]

On Mon, 2012-06-11 at 08:38 +0000, Gershom (Jan) Martin wrote:

> I believe I just hit onto two bugs/bugettes in Molpro
> (a) the def2-QZVPP basis set in $MOLPRO/lib/def2-nzvpp-orb.libmol
> appears to have near-duplicate polarization exponents for iodine:
> [...]

Thanks a lot for pointing this out. I'll take care of that and check if
other basis sets are also affected.
-- 
Gerald Knizia