    #  Energy/Hartree     dE/eV  Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
       1   -189.26210949      2.31996569      0.00000000   0.00003  -0.00001   0.00001
       2   -189.22014051      3.46194158      0.00000000  -0.00001  -0.00008   0.00000
       3   -189.20750156      3.80584758      0.00000000   0.00000   0.00000  -0.00000
       4   -189.02208644      8.85099283      0.94029692   2.85145   0.75310  -0.00001
