After the last numerical data an optional short text may appear, these will be appended to the calculated data. If you redirect the results of these calculations into a file, you can export them easily into MS Excel or any other Windows application. You are prompted to select two atoms. The distance of these atoms will be displayed in the message window and the side tool bar. In the bottom status line the distances to the nearest neighbour atoms appear automatically.
Bond angles The bond angle defined by three atoms is calculated.
The angle between these atoms will be displayed in the message window and the side tool bar. The dihedral angle as defined by four atoms is calculated. The dihedral angle will be displayed in the message window and the side tool bar. The program prompts you to define the two planes by specifying three atoms in each. Note that the altitude of the pyramid depends on the bond lengths, so this is not an exact measure of pyramidalization.