Level of theory DFT/B3LYP/6-311G(d,p) Ground state energy (a.u.): -655.9865004898 Center of Mass (Angs): CMx CMy CMz 0.7000000000 1.2124333333 0.6999999999 Ground state dipole moment (Debye): Dx Dy Dz -0.0000108793 0.0000019097 -0.0000163402