Level of theory DFT/B3LYP/6-311G(d,p) Ground state energy (a.u.): -656.1036184461 Center of Mass (Angs): CMx CMy CMz 0.6999999999 0.5503000000 0.6792166667 Ground state dipole moment (Debye): Dx Dy Dz -0.0000423832 -0.2169963135 0.1883385761