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('Si', 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], [0.62069, 0.61638, 0, 0, 0, -0.23774, 0, -0.29857, 0.29857])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9], [0.66905, -0.56558, 0, 0, 0, -0.3352, 0, 0.24509, -0.24509])

HO = classes.Orbitale_moleculaire(-10.392306, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(0.805254, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('CH2=CH-SiH3', HO, BV)