       #  Energy/Hartree           dE/eV        Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
       1   -640.56771187      2.97500081      0.00000000   0.00000   0.00000   0.00000
       2   -640.55543284      3.30911316      0.17632769   1.18048  -0.77057  -1.54122
       3   -640.54664542      3.54821872      0.00000000   0.00000  -0.00000  -0.00000
       4   -640.42108397      6.96474581      0.55299100  -2.03421  -0.55834  -1.43209
