Level of theory DFT/B3LYP/6-311G(d,p) Ground state energy (a.u.): -437.3133295284 Center of Mass (Angs): CMx CMy CMz 0.7000000001 0.7000000001 0.6999999999 Ground state dipole moment (Debye): Dx Dy Dz 0.0000027196 -0.0000025208 -0.0000026692