import classes

atome1 = classes.Atome('C', 1, [2, 2, 3, 4])
atome2 = classes.Atome('C', 2, [1, 1, 5, 6])
atome3 = classes.Atome('H', 3, [1])
atome4 = classes.Atome('H', 4, [1])
atome5 = classes.Atome('H', 5, [2])
atome6 = classes.Atome('C', 6, [2, 7, 8, 9])
atome7 = classes.Atome('H', 7, [6])
atome8 = classes.Atome('H', 8, [6])
atome9 = classes.Atome('H', 9, [6])

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9], [0.68459, 0.62038, 0, 0, 0, -0.22904, 0, -0.21680, 0.21680])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9], [0.69486, -0.68260, 0, 0, 0, -0.06298, 0, 0.15372, -0.15372])

HO = classes.Orbitale_moleculaire(-9.983318, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(1.351590, tableau_coeffs_BV, 'BV')

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