A <symmetry orbital> is a <linear combination of atomic orbitals> transforming as a component of an <irreducible representation> of the molecular <point group>. A <molecular orbital> is a one-electron <wavefunction> for the molecule, obtained as an <eigenfunction> of the chosen effective one-electron <Hamiltonian operator>. Symmetry organizes the eigenproblem, but a symmetry label alone does not determine its coefficients.

Solution

Past exam of the chemistry A course of the University of Cambridge / 2021 / Paper 1 / A5 / a / i / Solution

 Solution (source code)