Hartree–Fock calculation using the minimal basis set of the 1s, 2s, 2px, 2py, and 2pz AOs on each of N and O generated the energy eigenvalues and AO coefficients listed in the following table:
a. Designate the MOs in the table σ as π or symmetry and as bonding or antibonding. Assign the MOs to the following images, in which the O atom is red. The molecular axis is the z axis.
b. This calculation gives incorrect results for the shape and energies of MOs 5 and 7. Based on how these MOs arise, what energies and shapes would you expect for them?
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