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In this paper, we develop appropriate programme using Groups, Algorithms and Programming (GAP) software enables performing different computations on various characteristics of all finite nonabelian metacyclic p–groups, p is prime, of nilpotency class 2. Such programme enables to compute structure of the group, order of the group, structure of the center, the number of conjugacy classes, structure of commutator subgroup, abelianization, Whitehead’s universal quadratic functor and other characteristics. In addition, structures of some other groups such as the nonabelian tensor square and various homological functors including Schur multiplier and exterior square can be computed using this programme. Furthermore, by computing the epicenter order or the exterior center order the capability can be determined. In our current article, we only compute the nonabelian tensor square of certain order groups, as an example, and give GAP codes for computing other characteristics and some subgroups.