The following functionals developed at Minnesota are available in Gaussian 03:

Functional | Availability |

MPW1K | Gaussian 03 Revision A.01 and later |

MPW3LYP | Gaussian 03 Revision A.01 and later |

MPWLYP1W | Gaussian 03 Revision A.01 and later |

PBE1W | Gaussian 03 Revision A.01 and later |

PBELYP1W | Gaussian 03 Revision A.01 and later |

BB1K | Gaussian 03 Revision A.01 and later |

MPW1B95 | Gaussian 03 Revision A.01 and later |

MPWB1K | Gaussian 03 Revision A.01 and later |

MPWLYP1M | Gaussian 03 Revision A.01 and later |

TPSS1KCIS | Gaussian 03 Revision C.01 and later |

PBE1KCIS | Gaussian 03 Revision C.01 and later |

TPSSLYP1W | Gaussian 03 Revision C.01 and later |

PW6B95 | MN-GFM |

PWB6K | MN-GFM |

SOGGA | MN-GFM |

M05 | Gaussian 03 Revision E.01 and later |

M05-2X | Gaussian 03 Revision E.01 and later |

M06-L | MN-GFM |

M06 | MN-GFM |

M06-2X | MN-GFM |

M06-HF | MN-GFM |

M08-HX | MN-GFM |

M08-SO | MN-GFM |

Energies, analytic gradients, and analytic Hessian are available for all the 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 description at

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

Frequency calculations with meta functionals are sensitive to the grid size. The keywords Int(Grid=SuperFine) or "Int(Grid=-96032)" are sometimes needed.

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.

Minnesota Density Functionals