    #  Energy/Hartree     dE/eV  Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
       1   -189.26197158      2.32371833      0.00000000   0.00003  -0.00001   0.00001
       2   -189.22027843      3.45818894      0.00000000  -0.00001  -0.00008   0.00000
       3   -189.20686368      3.82320418      0.00000000   0.00000   0.00000  -0.00000
       4   -189.02272432      8.83363623      0.93845302   2.85145   0.75310  -0.00001
