# Set up configuration
molecule_configuration = MoleculeConfiguration(
    elements=[Nitrogen, Hydrogen, Hydrogen, Hydrogen],
    cartesian_coordinates=[[ 0.     ,  0.      ,  0.124001],
                           [ 0.     ,  0.941173, -0.289336],
                           [ 0.81508, -0.470587, -0.289336],
                           [-0.81508, -0.470587, -0.289336]]*Angstrom
    )

# Define the calculator
calculator = HuckelCalculator()
molecule_configuration.setCalculator(calculator)

# Print the total energy to the screen
# and avoid writing this for each process.

energy = TotalEnergy(molecule_configuration).evaluate()

if processIsMaster():
   print('Total Energy =', energy)