  The present work describes the equilibrium configuration of the ozone
molecule studied using the Hartree-Fock (HF), Moller-Plesset second order
(MP2), Configuration interaction (CI), and Density functional theory (DFT)
calculations. With the MP2 calculations, the total energy for the singlet state
of ozone molecule has been estimated to be -224.97820 a.u., which is lower than
that of the triplet state by 2.01 eV and for the singlet state the bond length
and the bond angle have been estimated to be 1.282 {\AA} and 116.850
respectively. Calculations have also been performed to obtain the total energy
of the isomeric excited state of ozone molecule and it is seen that the ground
state energy of the ozone molecule is lower than that of the isomeric excited
state by 1.79 eV. Furthermore, the binding energy of the ozone molecule has
been estimated to be 586.89 kJ/mol. The bond length, bond angle and the binding
energy estimated with HF, MP2, CI and DFT are compared with the previously
reported experimental values.
