import classes

atome1 = classes.Atome('C', 1, [2, 2, 5, 6])
atome2 = classes.Atome('C', 2, [1, 1, 3, 4])
atome3 = classes.Atome('C', 3, [2, 7, 8, 9])
atome4 = classes.Atome('C', 4, [2, 10, 11, 12])
atome5 = classes.Atome('C', 5, [1, 16, 17, 18])
atome6 = classes.Atome('C', 6, [1, 13, 14, 15])
atome7 = classes.Atome('H', 7, [3])
atome8 = classes.Atome('H', 8, [3])
atome9 = classes.Atome('H', 9, [3])
atome10 = classes.Atome('H', 10, [4])
atome11 = classes.Atome('H', 11, [4])
atome12 = classes.Atome('H', 12, [4])
atome13 = classes.Atome('H', 13, [6])
atome14 = classes.Atome('H', 14, [6])
atome15 = classes.Atome('H', 15, [6])
atome16 = classes.Atome('H', 16, [5])
atome17 = classes.Atome('H', 17, [5])
atome18 = classes.Atome('H', 18, [5])

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10, atome11, atome12, atome13, atome14, atome15, atome16, atome17, atome18], [0.5964, 0.60338, -0.13401, -0.13395, -0.14646, -0.14644, 0.00008, -0.15551, 0.15542, -0.00001, 0.15541, -0.15540, -0.00001, -0.16185, 0.16186, 0.00001, 0.16187, -0.16189])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10, atome11, atome12, atome13, atome14, atome15, atome16, atome17, atome18], [0.64971, -0.64641, -0.04771, -0.04772, 0.04697, 0.04697, -0.00007, 0.13749, -0.13741, 0.00001, -0.13742, 0.13742, -0.00001, -0.13738, 0.1374, 0.00001, 0.13740, -0.13741])

HO = classes.Orbitale_moleculaire(-8.971871, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(1.137437, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('Me2C=CMe2', HO, BV)