Vibration (IR spectrum)

Select the 'Vibration' command from the 'Spectra' menu. This is only possible if ADF has calculated the IR frequencies.

The red lines on the baseline indicate the peak positions as calculated by ADF. The peak positions, with their symmetry and intensity information, is also available from the menu.

If you move your mouse above a peak, a pop-up window will show more information about that peak. If you click on a normal mode shown in this pop-up window, ADFmovie will show this particular normal mode. You can also click and hold the mouse button (or right-click) on the peak itself. A pop-up menu will appear, and you may select the normal mode to visualize from that menu. If you just click on a peak all normal modes contributing to that peak will be shown.