The equilibrium structures of the NN–HF and OC–HF complexes

Large basis set SCF and extensively correlated wave functions have been used to study the potential energy surfaces of the NN–HF and OC–HF complexes. These calculations establish the linearity of the equilibrium structures of the complexes and provide accurate estimates of the well depths. Comparison of results at different levels reveals serious deficiencies in describing these systems with either small basis sets or with the neglect of electron correlation effects.