 Etot  =   -21860.907539
 Ekin  =    21854.258445
 Ecoul =     8603.092915
 Eenuc =   -51936.651861
 Exc   =     -381.607039
 1s      -3205.099250
 2s       -546.919858
 2p       -527.875083
 3s       -133.710589
 3p       -124.514348
 3d       -107.286516
 4s        -31.571779
 4p        -27.449958
 4d        -19.790948
 4f         -9.294243
 5s         -6.228898
 5p         -4.747644
 5d         -2.249004
 6s         -0.940318
 6p         -0.590587
