       #  Energy/Hartree           dE/eV        Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
       1   -640.55846472      3.03663591      0.00000000   0.00000   0.00000   0.00000
       2   -640.54294820      3.45884068      0.00232708  -0.03649  -0.12444  -0.19562
       3   -640.53469477      3.68341640      0.00000000  -0.00000  -0.00000  -0.00000
       4   -640.40894373      7.10510224      0.62520965   2.15986   0.63949   1.45961
