    #  Energy/Hartree     dE/eV  Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
    1   -114.39668857     4.160   0.00000  -0.00000  -0.00000  -0.00000
    2   -114.26455102     7.756   0.09170   0.69575  -0.00144  -0.00000
    3   -114.20726662     9.314   0.00035   0.00000  -0.00000   0.03936
    4   -114.20671875     9.329   0.01909   0.00061   0.28940   0.00000
    5   -114.18117786    10.024   0.02217   0.30091  -0.00062   0.00000
    6   -114.16908782    10.353   0.00000  -0.00000  -0.00000  -0.00000
    7   -114.16561892    10.448   0.32962   0.00236   1.13648   0.00000
    8   -114.13865859    11.181   0.01049  -0.00000  -0.00000  -0.19601
    9   -114.08206773    12.721   0.00000  -0.00000   0.00000   0.00004
   10   -114.08073037    12.758   0.05235  -0.00083  -0.40988  -0.00000
