       #  Energy/Hartree           dE/eV        Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
       1   -114.43098101      3.22528264      0.00000000   0.00001  -0.00000   0.00000
       2   -114.40928299      3.81568579      0.00000003   0.00005  -0.00001   0.00080
       3   -114.27311171      7.52090618      0.00000000  -0.00000  -0.00000   0.00000
       4   -114.25847627      7.91913672      0.12823740  -0.00000   0.00000   1.15144
