       #  Energy/Hartree           dE/eV        Osc.Str.   DX/a.u.   DY/a.u.   DZ/a.u.
       1   -170.03989460    400.04196592      0.00000000   0.00000  -0.00000   0.00000
       2   -170.03502387    400.17449843      0.00000000  -0.00000   0.00000  -0.00000
       3   -170.01752034    400.65076950      0.05261600   0.06433   0.08133   0.00000
       4   -170.01547342    400.70646604      0.05144446   0.08040  -0.06362  -0.00000
       5   -169.92447560    403.18251673      0.00000000   0.00000  -0.00000   0.00000
       6   -169.91893969    403.33314900      0.00000000   0.00000  -0.00000  -0.00000
       7   -169.91191435    403.52430858      0.00000000  -0.00000   0.00000   0.00000
       8   -169.91076621    403.55554928      0.00534389   0.00000  -0.00000   0.03293
       9   -169.88759854    404.18594177      0.06488836  -0.07104  -0.08999   0.00000
      10   -169.88267696    404.31985772      0.06490275   0.08998  -0.07104   0.00000
      11   -169.83564482    405.59960229      0.00000000  -0.00000  -0.00000   0.00000
      12   -169.82950253    405.76673395      0.00925187  -0.00000   0.00000   0.04321
      13   -169.81735744    406.09720202      0.00000000   0.00000   0.00000   0.00000
      14   -169.81567589    406.14295698      0.00498163  -0.02593  -0.01821   0.00000
      15   -169.81376836    406.19486083      0.00000000  -0.00000   0.00000  -0.00000
      16   -169.81204070    406.24187047      0.00494890   0.01812  -0.02586   0.00000
      17   -169.80681991    406.38392818      0.00000000  -0.00000  -0.00000   0.00000
      18   -169.79772608    406.63137137      0.01209756   0.00000  -0.00000  -0.04935
      19   -169.74853637    407.96982327      0.00000000  -0.00000   0.00000  -0.00000
      20   -169.74401565    408.09283219      0.00113590   0.00000   0.00000   0.01510
      21   -169.67330415    410.01689210      0.00000000   0.00000  -0.00000   0.00000
      22   -169.67060344    410.09037844      0.00107912   0.00000  -0.00000  -0.01468
      23   -169.65887737    410.40944479      0.00000000   0.00000  -0.00000   0.00000
      24   -169.63235011    411.13125137      0.00601950   0.00000   0.00000  -0.03462
      25   -169.07874371    426.19488170      0.00004203   0.00000  -0.00000  -0.00284
      26   -169.07628789    426.26170433      0.00000000   0.00000   0.00000  -0.00000
      27   -166.93991246    484.39247991      0.00003223  -0.00000  -0.00000   0.00233
      28   -166.93767426    484.45338124      0.00000000   0.00000  -0.00000  -0.00000
