    #  Energy/Hartree     dE/eV  Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
       1   -189.26210966      2.31996110      0.00000000   0.00000  -0.00000  -0.00001
       2   -189.22014034      3.46194620      0.00000000  -0.00000   0.00005   0.00001
       3   -189.20750727      3.80569205      0.00000000  -0.00000  -0.00000  -0.00000
       4   -189.02208273      8.85109391      0.94030373   2.85146   0.75306   0.00000
