The following functionals developed at Minnesota are available in Gaussian 09:

Functional | Availability |

MPW1K | Gaussian 09 Revision A.01 and later |

MPW3LYP | Gaussian 09 Revision A.01 and later |

MPWLYP1W | Gaussian 09 Revision A.01 and later |

PBE1W | Gaussian 09 Revision A.01 and later |

PBELYP1W | Gaussian 09 Revision A.01 and later |

BB1K | Gaussian 09 Revision A.01 and later |

MPW1B95 | Gaussian 09 Revision A.01 and later |

MPWB1K | Gaussian 09 Revision A.01 and later |

MPWLYP1M | Gaussian 09 Revision A.01 and later |

TPSS1KCIS | Gaussian 09 Revision A.01 and later |

PBE1KCIS | Gaussian 09 Revision A.01 and later |

TPSSLYP1W | Gaussian 09 Revision A.01 and later |

PW6B95 | MN-GFM (4.0 or later) |

PWB6K | MN-GFM (4.0 or later) |

SOGGA | Gaussian 09 Revision D.01 and later |

SOGGA11 | Gaussian 09 Revision D.01 and later |

M05 | Gaussian 09 Revision A.01 and later |

M05-2X | Gaussian 09 Revision A.01 and later |

M06-L | Gaussian 09 Revision A.01 and later |

M06 | Gaussian 09 Revision A.01 and later |

M06-2X | Gaussian 09 Revision A.01 and later |

M06-HF | Gaussian 09 Revision A.01 and later |

M08-HX | MN-GFM (4.0 or later) |

M08-SO | MN-GFM (4.0 or later) |

SOGGA11-X | Gaussian 09 Revision D.01 and later |

M11 | Gaussian 09 Revision D.01 and later |

N12 | Gaussian 09 Revision D.01 and later |

MN12-L | Gaussian 09 Revision D.01 and later |

GAM | MN-GFM (6.5 or later) |

MN15-L | MN-GFM (6.6 or later) |

MN15 | MN-GFM (6.7 or later) |

revM06-L | MN-GFM (6.8 or later) |

revM06 | MN-GFM (6.9 or later) |

revM11 | MN-GFM (6.10) |

Energies, analytic gradients, and analytic Hessian are available for all the above functionals in Gaussian 09 and/or MN-GFM.

MN-GFM is a locally modified module of Gaussian. Note MN-GFM is currently available only for G03 and G09. 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 description at

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

For MSI users only:

The MN-GFM functionals can be
accessed from the MSI lab machines as well as the core resources with
the command:

module load gaussian/g09.c01.MNGFM6.10

Users must be part of the gauss group to access this version of
Gaussian. Please let Ben Lynch of MSI know if you or somebody in your
user group need to be added to the gauss group.

The Gaussian license does not allow distribution of MN-GFM beyond MSI, which denotes Minnesota Supercomputing Institute.

Suggested grid for numerical integration in Gaussian:The "UltraFine" grid is suggested for most purposes. For meta functionals, it is often better to use an even finer grid. For example, the finer grid denoted by the keyword Int(Grid=-96032) should be used for frequency calculations to eliminate some small imaginary frequencies.

Minnesota Density Functionals

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