 Etot  =   -22133.332529
 Ekin  =    25107.769598
 Ecoul =     8449.357913
 Eenuc =   -55345.871965
 Exc   =     -344.588076
 1s      -3403.860403
 2s       -615.201227
 2p       -525.613500
 3s       -149.641997
 3p       -124.097689
 3d        -98.787653
 4s        -35.019002
 4p        -26.635833
 4d        -17.159405
 4f         -6.710892
 5s         -6.612854
 5p         -4.212037
 5d         -1.542578
 6s         -0.926999
 6p         -0.485472
