Frequencies

Perform a frequencies calculation. The result of such a calculation is a hessian matrix, and a set of frequencies, intensities and normal modes (the IR spectrum). The hessian matrix may be used in subsequent calculations (for example, to help the search for a transition state).

ADF will calculate the frequencies analytically by default. You can also use a numerical scheme. To select this option use the 'Task: Frequencies' panel.

You can read more about frequencies calculations in the ADF Users Guide.