import classes

atome1 = classes.Atome('C', 1, [2, 2, 4, 5])
atome2 = classes.Atome('C', 2, [1, 1, 3, 6])
atome3 = classes.Atome('O', 3, [2, 7])
atome4 = classes.Atome('H', 4, [1])
atome5 = classes.Atome('H', 5, [1])
atome6 = classes.Atome('H', 6, [2])
atome7 = classes.Atome('C', 7, [3, 8, 9, 10])
atome8 = classes.Atome('H', 8, [7])
atome9 = classes.Atome('H', 9, [7])
atome10 = classes.Atome('H', 10, [7])

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10], [0.67139, 0.49338, -0.51225, 0, 0, 0, 0.08746, 0, 0.13371, -0.13371])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10], [-0.67664, 0.70499, -0.18782, 0, 0, 0, -0.05769, 0, 0.05719, -0.05719])

HO = classes.Orbitale_moleculaire(-9.414328, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(1.462069, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('CH2=CH-O-CH3', HO, BV)