Level of theory DFT/B3LYP/6-311G(d,p) Ground state energy (a.u.): -1312.2535454035 Center of Mass (Angs): CMx CMy CMz 0.0000458335 0.0001083333 -0.0000333333 Ground state dipole moment (Debye): Dx Dy Dz -0.0000070954 0.0011464092 -0.0007361247