Posted by muneer on .
Using the PM3 semiempirical method in HyperChem, treat planar napthalene. First build the molecule, choose SemiEmpirical methods and PM3, and perform a Geometry Optimization. Look in the "Compute>Orbitals" menu to determine the energies of the HOMO and LUMO.
What is the wavenumber in cm-1 for the HOMO to LUMO transition predicted by PM3?