Minnesota density functionals available in Gaussian03

The following functionals developed at Minnesota are available in Gaussian03:

Functional	Availability
MPW1K	Gaussian03 Revision A.01  and later
MPW3LYP	Gaussian03 Revision A.01  and later
MPWLYP1W	Gaussian03 Revision A.01  and later
PBE1W	Gaussian03 Revision A.01  and later
PBELYP1W	Gaussian03 Revision A.01  and later
BB1K	Gaussian03 Revision A.01  and later
MPW1B95	Gaussian03 Revision A.01  and later
MPWB1K	Gaussian03 Revision A.01  and later
MPWLYP1M	Gaussian03 Revision A.01  and later
TPSS1KCIS	Gaussian03 Revision C.01  and later
PBE1KCIS	Gaussian03 Revision C.01  and later
TPSSLYP1W	Gaussian03 Revision C.01  and later
PW6B95	MN-GFM
PWB6K	MN-GFM
M05	Gaussian03 Revision E.01  and later
M05-2X	Gaussian03 Revision E.01  and later
M06-L	MN-GFM
M06	MN-GFM
M06-2X	MN-GFM
M06-HF	MN-GFM

Energies, analytic gradients, and analytic Hessian are available for all above functionals in Gaussian 03 and/or MN-GFM.

MN-GFM is a locally modified module of Gaussian. Our license does not allow distribution of this module.

Some functionals have their own keywords, whereas others require IOPs.  For further information on IOPS, see the descriptions at

   http://comp.chem.umn.edu/info/DFT.htm


Minnesota Density Functionals

Gaussian