import classes

atome1 = classes.Atome('H', 1, [2])
atome2 = classes.Atome('Br', 2, [1])

tableau_de_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2], [0, 0.99401])

tableau_de_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2], [0.73622, 0.66183])

HO = classes.Orbitale_moleculaire(-11.47668, tableau_de_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(1.2011112, tableau_de_coeffs_BV, 'BV')

molecule = classes.Molecule('HBr', HO, BV)