       #  Energy/Hartree           dE/eV        Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
       1   -118.14811920    398.95853898      0.00000000  -0.00000   0.00000  -0.00000
       2   -118.14680628    398.99426361      0.00000000   0.00000  -0.00000   0.00000
       3   -118.12556491    399.57224120      0.05264859   0.08930  -0.05270  -0.00609
       4   -118.12410116    399.61206995      0.05267515   0.04016   0.07493  -0.05970
       5   -117.94199382    404.56721069      0.00000000   0.00000  -0.00000  -0.00000
       6   -117.94127276    404.58683066      0.00171928  -0.01720   0.00646   0.00323
       7   -117.93957743    404.63296056      0.00000000  -0.00000  -0.00000   0.00000
       8   -117.93889138    404.65162785      0.00169993  -0.00377  -0.01499   0.01025
       9   -117.81947316    407.90099772      0.00011256   0.00131  -0.00341  -0.00304
      10   -117.81277843    408.08316134      0.00000000   0.00000   0.00000  -0.00000
