import classes

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

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], [0.34043, -0.17978, 0.05041, 0.47310, 0.14513, 0.00089, 0.05215, -0.05012, -0.07339, -0.10718, -0.05089, 0.07230, 0.04893, 0.10724, 0.48083, -0.00003, 0.00004, 0.00001])

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], [-0.1894, -0.28976, 0.00128, -0.47937, -0.0636, -0.00023, 0.04004, -0.03970, 0.02023, -0.03348, -0.00110, -0.02006, 0.00029, 0.03405, 0.55752, -0.00007, 0, 0.00007])

HO = classes.Orbitale_moleculaire(-10.248085, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(1.064782, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('CH2=CH-SiMe3', HO, BV)