IR-spectrum (vibrational spectrum): ADFspectra and ADFmovie

Select SCM → Spectra

The IR spectrum is shown. You can save a picture to use in other programs using the 'Save Postscript' command from the 'File' menu. Alternatively, you may export the xy coordinates of the spectrum to a plain text file for you own graphing application.

If you move the mouse pointer above the spectrum you will get more information about the peaks in pop-up windows:

Move the mouse pointer above the largest peak and keep it there

The list of normal modes contributing to the IR peak will show up. By clicking the mouse button at this point, all these modes will be animated, each opened in a separate ADFmovie windows. Alternatively, pressing and holding the mouse button down, a list of these modes with their symmetry labels will show up:

Press and hold down the mouse on the largest peak

Choosing one of the modes from the the pop-up list, you can visualize only the corresponding mode.

Seelct one of the modes in the pop-up menu

ADFmovie should start and show the corresponding normal mode.