Herein, hopping to biological and catalytic applications, synthesis of a Mn(II) complex of the N,N′-dipyridoxyl(1,2-diaminobenzene) [H2L] Schiff-base has been reported. The Mn complex was characterized experimentally and theoretically. The optimized geometry and vibrational frequencies of the complex were computed by using the density functional theory (DFT) methods. In the optimized geometry of the octahedral complex, the dianionic L2− acts as a tetradentate ligand. Four coordination positions of the square plane have been occupied with two azomethine nitrogens and two phenolic oxygens of the L2− ligand. Two coordinated methanol ligands are perpendicular to the square plane. Also, properties of the MnN and MnO bonds were explored investigated using the Atoms in molecules (AIM) analysis.