Modules

Wave function specification
Orbital specifications
CI expansion specifications
Energies
Wave functions / Weights of the most important CSFs
Natural Occupation numbers
Mulliken Spin Population
Electrostatic moments
Population analysis / Mulliken atomic charges
Single-State CASPT2
Final energy
HZERO
Harmonic frequencies
IR spectrum / Vibrational frequencies
Multipole Expansion Analysis
LoProp Analysis