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Tasks Performed by Spartan Student Edition:
   
  Equilibrium Conformer Search conformational space to determine the global minimum.
  Energy Determine total energy (Hartree-Fock, DFT, MP2), heat of formation (semi-empirical) or strain energy (molecular mechanics).
     
  Equilibrium Geometry Determine equilibrium geometry.
     
  Transition State Geometry Determine transition-state geometry.
     
  Calculate and Plot
IR Spectra
Calculate and plot normal-mode vibrational frequencies. Useful not only for calculation of vibrational spectra but also to establish whether or not a geometry corresponds to an energy minimum or to a transition state.
     
  Calculate and Plot NMR Chemical Shifts Chemical shifts from B3LYP & EDF2 models.
     
  Energy Profile Scan one or more geometrical coordinates. Useful to locate a transition state along a reaction coordinate and to analyze conformational energy changes.
     
Equilibrium
Conformer
Energy
Equilibrium Geometry
Transition
State
Geometry
IR
Spectra
Energy Profile
NMR
Spectra
MMFF
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PM3

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Hartree-Fock
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B3LYP
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EDF2
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MP2
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