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Spartan Molecular Properties: In addition to energies, equilibrium and transition-state geometries and frequencies, Spartan Student Edition provides a number of valuable properties.
   
  Atomic Charges Charges are available based on fits to electrostatic potentials.
     
  Thermodynamics Enthalpies, entropies and free energies as well as isotope effects, based on calculated geometries and vibrational frequencies.
     
  Electronic Dipole and higher moments available from quantum chemical calculations.
     
  Solvation Aqueous solvation energies from SM5.4 model.
     
  Additional HOMO and LUMO energies are calculated. Volume, area, and polar surface area are determined.
     
  Chemical Shifts NMR Chemical Shifts available from Hartree-Fock and DFT models.
     
  Geometric Volumes, areas, and polar surface areas.