I have been doing some geometry optimizations on transistion metal carbonyl complexes. When the MOs are printed out, the energies do not always increase with each MO. This is the case however for my other work on di-Methyl-ether. One of these systems is Mn(CO)5 using ROHF and C4v symmetry. Are these valid MOs that are just not outputted in order, or is there another problem? Thanks in advance, Steven Schafer S.U.N.Y. Binghamton Chemistry Department