 Etot  =   -20670.907996
 Ekin  =    20664.429857
 Ecoul =     8175.121560
 Eenuc =   -49142.840153
 Exc   =     -367.619259
 1s      -3051.301411
 2s       -517.587889
 2p       -499.084104
 3s       -125.095415
 3p       -116.210147
 3d        -99.567832
 4s        -28.733975
 4p        -24.792770
 4d        -17.484720
 4f         -7.517879
 5s         -5.337699
 5p         -3.965426
 5d         -1.695216
 6s         -0.778476
 6p         -0.484801
