import classes

atome1 = classes.Atome('C', 1, [2, 2, 4, 5])
atome2 = classes.Atome('C', 2, [1, 1, 3, 6])
atome3 = classes.Atome('Cl', 3, [2])
atome4 = classes.Atome('H', 4, [1])
atome5 = classes.Atome('H', 5, [1])
atome6 = classes.Atome('H', 6, [2])

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6], [0.62412, 0.52696, -0.54164, 0, 0, 0])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6], [0.69388, -0.67788, 0.14003, 0, 0, 0])

HO = classes.Orbitale_moleculaire(-10.210262, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(0.855799, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('CH2=CHCl', HO, BV)