Nanoclusters are atomic aggregates that constitute the elemental unit of nanoscience. The transition metal clusters, with diameters ranging from 1 to 10 nm, are of significant theoretical and practical interest due to their actual and potential use in ultrahigh density magnetic recording materials, catalytic particles in the synthesis of carbon nanotubes and several applications in electronics and optics. Knowledge on geometrical structure plays an important role in the determination of several physico-chemical properties of these nanoclusters. Theoretically, structure determination is conventionally done via electronic structure calculations using a variety of quantum chemical (QC) methods based on both wavefunction (Hartree Fock) and density functional theories. This is often a tedious, slow and computationally expensive process for medium and large size systems.