Level of theory DFT/B3LYP/6-311G(d,p) Ground state energy (a.u.): -218.7222732917 Center of Mass (Angs): CMx CMy CMz 0.7000000000 0.4041250000 0.2857999997 Ground state dipole moment (Debye): Dx Dy Dz 0.0000121629 -0.0000770025 -0.0003825771