The Gaussian-type orbitals (proposed by Boys in 1950) is the most generally used basis function in quantum chemical program package . The primary reason for superior performance in computation over STOs is related to the "Gaussian Product Theorem" which guarantees that the product of two GTOs centred on two different atoms is a finite sum of Gaussians centred on a point along the axis connecting them. In this manner, the four-centre integrals are reduced to finite sums of two-centre integrals, and in the next step, reduced to finite sums of one-centre integrals which demands the lower computational cast. The mathematical expression for the GTOs in both, i.e., polar and Cartesian coordinates is given as;