R (Å)       V(cm-1)

  3.096980     8144.6181
  3.188725     5464.6611
  3.280470     3423.6568
  3.372215     1988.8843
  3.463960     1032.1461
  3.555705      373.1711
  3.647450      -97.5671
  3.739195     -440.6591
  3.830940     -691.4597
  3.922685     -868.0713
  4.014430     -985.9718
  4.106174    -1057.5277
  4.197920    -1093.3829
  4.289664    -1101.8954
  4.381409    -1090.1143
  4.500000    -1053.4766
  4.630952     -995.1633
  4.761905     -926.3403
  4.892857     -853.2515
  5.023809     -779.6841
  5.154762     -708.3492
  5.285714     -640.6159
  5.416667     -577.4403
  5.547619     -519.0844
  5.678571     -465.6973
  5.809524     -417.1125
  5.940476     -373.1479
  6.071429     -333.4738
  6.202381     -297.8163
  6.333333     -265.8295
  6.464286     -237.1968
  6.595238     -211.6048
  6.726191     -188.7791
  6.857143     -168.4297
  6.988095     -150.2996
  7.119048     -134.2082
  7.250000     -119.8555
  7.500000      -96.8217
  7.750000      -78.4016
  8.000000      -63.7452
  8.358974      -47.6853
  8.717949      -36.0135
  9.076923      -27.4745
  9.435897      -21.1753
  9.794872      -16.4740
 10.303419      -11.7724
 10.811966       -8.5554

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