 Etot  =   -19571.635299
 Ekin  =    21893.055932
 Ecoul =     7567.670340
 Eenuc =   -48712.217151
 Exc   =     -320.144421
 1s      -3035.841460
 2s       -538.897016
 2p       -465.492715
 3s       -128.204621
 3p       -106.956269
 3d        -84.529514
 4s        -28.420664
 4p        -21.439411
 4d        -13.134785
 4f         -3.888635
 5s         -4.670004
 5p         -2.782151
 5d         -0.703069
 6s         -0.552973
