       #  Energy/Hartree           dE/eV        Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
       1   -122.29776407    286.04693739      0.00000000  -0.00000   0.00000  -0.00000
       2   -122.29628111    286.08728868      0.00000000   0.00000  -0.00000   0.00000
       3   -122.27262763    286.73090010      0.06090910   0.00031  -0.11416   0.06602
       4   -122.27184218    286.75227222      0.06054746  -0.12395   0.02131   0.03833
       5   -122.22807524    287.94317052      0.00000000  -0.00000  -0.00000  -0.00000
       6   -122.20022633    288.70093945      0.00148936  -0.00675   0.00366   0.01906
       7   -122.19999870    288.70713325      0.00000000   0.00000  -0.00000   0.00000
       8   -122.19931169    288.72582670      0.00000000   0.00000  -0.00000  -0.00000
       9   -122.19077081    288.95822418      0.01841754  -0.00426   0.06444  -0.03238
      10   -122.18956504    288.99103317      0.01846930  -0.06940   0.00640   0.01937
      11   -122.13308009    290.52798857      0.00000000   0.00000   0.00000  -0.00000
      12   -122.12598852    290.72095017      0.00000000  -0.00000  -0.00000   0.00000
      13   -122.12277134    290.80848975      0.02666731   0.07435  -0.04434  -0.00365
      14   -122.11545370    291.00760270      0.02780428   0.03543   0.06347  -0.05038
      15   -122.08534743    291.82679427      0.00000000   0.00000  -0.00000   0.00000
      16   -122.08400221    291.86339771      0.00255869   0.02421  -0.01085  -0.00373
      17   -122.08280065    291.89609221      0.00000000   0.00000  -0.00000   0.00000
      18   -122.08151697    291.93102093      0.00252312   0.00672   0.02049  -0.01558
      19   -121.85348605    298.13574240      0.00040867   0.00666  -0.00638  -0.00521
      20   -121.84404145    298.39272982      0.00000000   0.00000   0.00000  -0.00000
