  Etot  =   -15565.800714
  Ekin  =    17044.698034
  Ecoul =     6077.174654
  Eenuc =   -38410.858342
  Exc   =     -276.815059
  1s      -2459.393870
  2s       -423.270320
  2p       -371.563587
  3s        -97.202817
  3p        -81.785748
  3d        -63.714764
  4s        -19.999661
  4p        -14.929155
  4d         -8.417688
  4f         -1.192629
  5s         -2.944967
  5p         -1.718234
  5d         -0.396079
  6s         -0.436227
