#setup H-H geometry
elements = [ Hydrogen, Hydrogen]
cartesian_coordinates = [[ 0.0,0.0,0.0],
                         [ 0.0,0.0,0.75]]*Angstrom
molecule_configuration = MoleculeConfiguration(
    elements=elements,
    cartesian_coordinates=cartesian_coordinates
    )

#define calculator
calculator = LCAOCalculator()
molecule_configuration.setCalculator(calculator)

#calculate total energy and individual components
total_energy = TotalEnergy(molecule_configuration)
components = total_energy.components()

#print total energy and individual components
print() 
print('------------------------------------------------')
for term in components.keys():
    print('%-30s = %12.4f eV' % (term,components[term].inUnitsOf(eV)))
print('------------------------------------------------')
energy = total_energy.evaluate().inUnitsOf(eV)
print('Total energy                   = %12.4f eV' % energy)