The ground spin-state multiplicity and the energy separation between high-spin (HS) and low-spin (LS) states determines their properties and consequently, their practical applications. To determine the ground spin-state, geometry optimizations were performed in both HS and LS states, i.e. triplet (M S =1, HS component) and singlet (M S =0, LS component) for diradicals; quartet (M S =3/2, HS component) and doublet (M S =1/2, LS component) for tri-radicals. While, mono-radicals were optimized in doublet (M S =1/2) ground state. Resolution of the identity (RI) approximation in conjunction with auxiliary basis set def2/J and chain of spheres (COSX) numerical integration was used to speed up the calculations without losing accuracy. Tight convergence limits and increased integration grids (grid5) were used throughout. The ground-spin state geometries were used for further transport and magnetic calculations.