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('F', 6, [2])

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6], [0.70170, 0.58433, 0, 0, 0, -0.40763])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6], [-0.69009, 0.69970, 0, 0, 0, -0.18492])

HO = classes.Orbitale_moleculaire(-10.238289, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(0.899881, tableau_coeffs_BV, 'BV')

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