Click on one of the following links to learn more:
Main Page | Graphical User Interface | Computational Methods
Tasks Performed | Properties Calculated | New to Spartan | Pricing | Maintenance

Spartan Molecular Properties: In addition to energies, equilibrium and transition-state geometries and frequencies, Spartan provides a number of valuable properties.
  Atomic Charges Mulliken and Natural Bond Orbital Charges are available as are charges based on fits to electrostatic potentials.
  Thermodynamics Enthalpies, entropies and free energies as well as isotope effects, based on calculated geometries and vibrational frequencies.
  Electrical Dipole, quadrupole and higher moments, polarizabilities and hyperpolarizabilities.

Aqueous solvation energies from SM5.4 model.