.. include:: autodoc_abbr_options_c.rst .. index:: triple: setting; keywords; frequency() pair: vibrational analysis; function call pair: hessian; function call see: freq(); frequency(); see: frequencies(); frequency(); .. _`sec:freq()`: Harmonic Vibrational Analysis, :py:func:`~driver.frequency` and :py:func:`~driver.hessian` ========================================================================================== * :ref:`Psi4 Native Hessian Methods ` For further discussion of vibrational and thermochemical analysis, see Sec. :ref:`sec:thermo`. :py:func:`~driver.frequency` is the only command most users will ever need to access directly to perform frequency calculations. Behind the scenes, :py:func:`~driver.frequency` is a light wrapper over :py:func:`~driver.hessian` that computes the Hessian then adds a thermochemical analysis. .. autofunction:: driver.frequency(name [, molecule, return_wfn, func, mode, dertype, irrep]) .. autofunction:: driver.hessian(name [, molecule, return_wfn, func, dertype, irrep])