Level of theory DFT/B3LYP/6-311G(d,p) Ground state energy (a.u.): -546.7201417173 Center of Mass (Angs): CMx CMy CMz 0.7000000000 0.9634800001 0.7000000000 Ground state dipole moment (Debye): Dx Dy Dz -0.0000484054 -0.0003712859 0.0000203010