 Etot  =   -27899.641656
 Ekin  =    32712.794654
 Ecoul =    10394.448135
 Eenuc =   -70612.383890
 Exc   =     -394.500555
 1s      -4234.557545
 2s       -792.373880
 2p       -659.140870
 3s       -200.210831
 3p       -163.188263
 3d       -131.090673
 4s        -51.001789
 4p        -38.892032
 4d        -26.705640
 4f        -13.729240
 5s        -11.350493
 5p         -7.590528
 5d         -3.638317
 5f         -0.133390
 6s         -1.757867
 6p         -0.856604
 6d         -0.091405
 7s         -0.160828
