Q-Chem has incorporated a number of molecular properties and wavefunction analysis tools, summarized as follows:
Population analysis for ground and excited states
Multipole moments for ground and excited states
Calculation of molecular intracules
Vibrational analysis (including isotopic substitution)
Interface to the Natural Bond Orbital package
Molecular orbital symmetries
Orbital localization
Localized Orbital Bonding Analysis
Data generation for 2-D or 3-D plots
Orbital visualization using the MolDen and MacMolPlt programs
Natural transition orbitals for excited states
NMR shielding tensors and chemical shifts
Quantum transport modeling in the Landauer approximation
Nonadiabatic couplings for CIS and TDDFT
In addition, Chapter 12 features analysis tools based on absolutely localized orbitals (energy decomposition and charge-transfer analysis).