 Etot  =   -20671.256539
 Ekin  =    20664.756110
 Ecoul =     8200.970142
 Eenuc =   -49169.103742
 Exc   =     -367.879049
 1s      -3050.988417
 2s       -517.275843
 2p       -498.771920
 3s       -124.783683
 3p       -115.898384
 3d        -99.256068
 4s        -28.422540
 4p        -24.481337
 4d        -17.173307
 4f         -7.206499
 5s         -5.027447
 5p         -3.655382
 5d         -1.386458
 6s         -0.493528
 6p         -0.217889
