       #  Energy/Hartree           dE/eV        Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
       1   -165.11366989    534.08377851      0.00000000  -0.00000   0.00000   0.00000
       2   -165.10691211    534.26765753      0.02274350   0.05120  -0.02940   0.00000
       3   -165.10017219    534.45105090      0.00000000   0.00000   0.00000   0.00000
       4   -165.09436581    534.60904239      0.02296624   0.02953   0.05143  -0.00000
       5   -165.05736930    535.61571748      0.00000000  -0.00000  -0.00000   0.00000
       6   -165.02596123    536.47033093      0.01464003   0.00000  -0.00000   0.04727
       7   -164.95588327    538.37715242      0.00000000  -0.00000  -0.00000   0.00000
       8   -164.93576941    538.92445036      0.03022321  -0.00000   0.00000   0.06776
       9   -164.90649267    539.72107054      0.00000000  -0.00000  -0.00000   0.00000
      10   -164.90229546    539.83527665      0.00689538  -0.00000   0.00000  -0.03234
      11   -164.34459261    555.01037126      0.00028558   0.00001  -0.00001  -0.00649
      12   -164.34101524    555.10771150      0.00000000  -0.00000  -0.00000  -0.00000
      13   -164.33717198    555.21228646      0.00000853   0.00001   0.00001   0.00112
      14   -164.33617112    555.23951986      0.00000000  -0.00000  -0.00000  -0.00000
