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('N', 6, [2, 7, 8])
atome7 = classes.Atome('H', 7, [6])
atome8 = classes.Atome('H', 8, [6])

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8], [0.66294, 0.40164, 0.00114, -0.02498, -0.01109, -0.57131, -0.09059, -0.12445])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8], [-0.65476, 0.69946, 0.00781, -0.00088, -0.01438, -0.16730, -0.09301, -0.15390])

HO = classes.Orbitale_moleculaire(-8.832820, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(1.547512, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('CH2=CH-NH2', HO, BV)