An application of the virial theorem to study AH2 structures II. Use of CNDO/2 wavefunctions

The simple form for the virial theorem for polyatomic molecules takes the form W=–t _i where t _i is an orbital kinetic energy. It is applied to study shapes of molecules of AH₂ type. Kinetic-energy-versus-angle diagrams are constructed with CNDO/2 wavefunctions that satisfy the virial theorem. The shapes of the molecules can be explained with the aid of the diagrams.