Q-Chem has incorporated a number of molecular properties and wave function analysis tools:
Population analysis for ground and excited states
Multipole moments for ground and excited states
Extended excited-state analysis using reduced density matrices
Calculation of molecular intracules
Vibrational analysis (including isotopic substitution)
Interface to the Natural Bond Orbital (NBO) package
Molecular orbital symmetries
Orbital localization
Localized orbital bonding analysis
Data generation for one- or two-dimensional plots
Orbital visualization using the MolDen and MacMolPlt programs
Natural transition orbitals for excited states
NMR shielding tensors and chemical shifts
Molecular junctions
In addition, Chapter 13 describes energy decomposition analysis using the fragment-based absolutely-localized molecular orbital approach.