Tasks Performed by Spartan'14 for Windows: con't

Energy
Equilibrium Geometry
Transition State Geometry
Intrinsic Reaction Coordinate (IRC)
           
Molecular Mechanics
X
X
Semi-Empirical
X
X
X
Hartree-Fock
X
X
X
X
Density Functional
X
X
X
X
MP2, RI-MP2
X
X
X
X
MP3, MP4, LMP2
X
Advanced Correlated
X
Thermochemical Recipes
X
     

Excited States

X
X
X
X
   
IR
Spectra
NMR
Spectra
UV/vis
Spectra
Conformation
Energy Profile
     
     
Molecular Mechanics
X
X
X
Semi-Empirical
X
X
X
Hartree-Fock
X
X
X
X
X
Density Functional
X
X
X
X
X
MP2, RI-MP2
X
X
X
MP3, MP4, LMP2
Advanced Correlated
X
Thermochemical Recipes          

Excited States

X
X
X