ORBITALS [VIEW] For the density arising from orbitals 1 to 5 use: Orbitals 5 1 2 3 4 5 For the density arising from orbitals 4 and 5 only use: orbitals 2 4 5 For molecular orbital 3 use: Orbitals view 1 3 Note that molecular orbitals must be specified one at a time. So to visualise the first MO use: Orbitals view 1 1