       #  Energy/Hartree           dE/eV        Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
       1   -640.55737472      3.07390928      0.00000000  -0.00000   0.00000   0.00000
       2   -640.54754122      3.34147874      0.00127554   0.00936   0.09690   0.14757
       3   -640.53927570      3.56638343      0.00000000  -0.00000  -0.00000  -0.00000
       4   -640.41006575      7.08218618      0.61250695  -2.14474  -0.63009  -1.44359
