import classes

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

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6], [0.55905, 0.55905, -0.30616, -0.30616, -0.30616, -0.30616])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6], [0.66246, -0.66246, -0.17485, -0.17485, 0.17485, 0.17485])

HO = classes.Orbitale_moleculaire(-10.3504, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(-0.549942, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('F2C=CF2', HO, BV)