Analysis

If possible do the analysis in a single point run.
BOB: Browse the output to find the complete analysis.

Fragments

ADFinput: Select 'Main Options' from the Menu on the right hand side. Select the 'Fragment Analysis' in the 'Preset' menu. Select all atoms that form a fragment. Press and hold the Right mouse button on one of the selected atoms and select from the popup menu 'New Fragment ...'.
ADFUsersGuide: fragments [1].

Bond energy analysis

ADFinput: No special input is needed.
ADFUsersGuide: bond energy analysis [1].

Advanced charge density and MO analysis

ADFinput: No special input is needed.
ADFlevels: Energy diagram.
ADFview: Electron densities, potentials, MOs, ELF, etc.
ADFspectra: Select 'DOS' from the 'Spectra' Menu.
ADFUsersGuide: Mulliken [1], Hirshfeld and Voronoy deformation density [1], Bondorders [1], Bader [1], NBO [1].

Molecular symmetry

ADFinput: Possibility to symmetrize the molecule with the 'Symmetry' Menu (the button which initially shows 'Nosym' on the top of the drawing area).
ADFUsersGuide: symmetry [1,2].

 

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