Level of theory DFT/B3LYP/6-311G(d,p) Ground state energy (a.u.): -1093.3655442463 Center of Mass (Angs): CMx CMy CMz 0.0000004999 -0.0000000000 0.0000010000 Ground state dipole moment (Debye): Dx Dy Dz -0.0001751354 0.0002381543 -0.0002204842