 Etot  =   -22806.622360
 Ekin  =    25968.367009
 Ecoul =     8705.032520
 Eenuc =   -57129.005175
 Exc   =     -351.016713
 1s      -3500.223587
 2s       -635.166109
 2p       -541.012473
 3s       -155.071769
 3p       -128.320674
 3d       -102.239988
 4s        -36.498027
 4p        -27.721853
 4d        -17.934481
 4f         -7.179639
 5s         -6.830845
 5p         -4.285709
 5d         -1.463449
 6s         -0.719446
 6p         -0.251597
