Level of theory DFT/B3LYP/6-311G(d,p) Ground state energy (a.u.): -437.4281050922 Center of Mass (Angs): CMx CMy CMz 0.8835000000 -1.7128750000 0.7118000000 Ground state dipole moment (Debye): Dx Dy Dz -0.0000043880 0.0752204005 0.0993248157