The `rmgpy.qm`

subpackage contains classes and functions for working
with molecular geometries, and interfacing with quantum chemistry software.

## Main

Class |
Description |

`QMSettings` |
A class to store settings related to quantum mechanics calculations |

`QMCalculator` |
An object to store settings and previous calculations |

## Molecule

Class |
Description |

`Geometry` |
A geometry, used for quantum calculations |

`QMMolecule` |
A base class for QM Molecule calculations |

## QM Data

Class/Function |
Description |

`QMData` |
General class for data extracted from a QM calculation |

## QM Verifier

Class/Function |
Description |

`QMVerifier` |
Verifies whether a QM job was succesfully completed |

## Symmetry

Class/Function |
Description |

`PointGroup` |
A symmetry Point Group |

`PointGroupCalculator` |
Wrapper type to determine molecular symmetry point groups based on 3D coordinates |

`SymmetryJob` |
Determine the point group using the SYMMETRY program |

## Gaussian

Class/Function |
Description |

`Gaussian` |
A base class for all QM calculations that use Gaussian |

`GaussianMol` |
A base Class for calculations of molecules using Gaussian. |

`GaussianMolPM3` |
A base Class for calculations of molecules using Gaussian at PM3. |

`GaussianMolPM6` |
A base Class for calculations of molecules using Gaussian at PM6. |

## Mopac

Class/Function |
Description |

`Mopac` |
A base class for all QM calculations that use Mopac |

`MopacMol` |
A base Class for calculations of molecules using Mopac. |

`MopacMolPM3` |
A base Class for calculations of molecules using Mopac at PM3. |

`MopacMolPM6` |
A base Class for calculations of molecules using Mopac at PM6. |

`MopacMolPM7` |
A base Class for calculations of molecules using Mopac at PM7. |