Structure parameter, Conformational analysis, Analysis of isomers, Ensembles and ensemble size
Electron transfer (EA/IP), polarity and charge distribution, orbital energies and symmetries, spin state
Response profile, bond strength, nucleophilicity/electrophilicity, acidity/basicity, radical centers, thermodynamic response sizes
Excitation energies and intensities (UV/VIS), vibrational frequencies and intensities (IR), state character, normal modes
