Modules

Bonding energy
Fit test
MOs / SFO gross populations
MOs Energies
Mulliken Atomic Charges
Multipole Derived Atomic Charges
Quadrupole Moment
S**2
Vibrational Frequencies and Intensities
IR spectrum
Zero Point Energy
Thermochemistry
Final Excitation Energies
NMR Shielding Tensors
Timing
Input file