import classes

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

tableau_coeffs_HO = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10, atome11, atome12, atome13, atome14], [0.38432, -0.36865, -0.45261, 0.13803, -0.14522, 0.47834, 0.00854, 0.00210, 0.19392, -0.12434, -0.12437, 0.19389, 0.00210, 0.00853])

tableau_coeffs_BV = classes.Tableau_de_coefficients([atome1, atome2, atome3, atome4, atome5, atome6, atome7, atome8, atome9, atome10, atome11, atome12, atome13, atome14], [-0.38983, -0.36928, 0.48905, 0.02038, 0.02475, 0.52320, -0.01216, -0.00672, -0.12401, 0.09772, -0.09774, 0.12398, 0.00673, 0.01215])

HO = classes.Orbitale_moleculaire(-8.760166, tableau_coeffs_HO, 'HO')

BV = classes.Orbitale_moleculaire(0.457152, tableau_coeffs_BV, 'BV')

molecule = classes.Molecule('cyclohexadiène', HO, BV)