 Etot  =   -18366.283753
 Ekin  =    20412.129186
 Ecoul =     7128.866772
 Eenuc =   -45599.572916
 Exc   =     -307.706796
 1s      -2862.771428
 2s       -503.717227
 2p       -437.290506
 3s       -118.608855
 3p        -99.224460
 3d        -78.127252
 4s        -25.696109
 4p        -19.324645
 4d        -11.564704
 4f         -2.906300
 5s         -4.040753
 5p         -2.367803
 5d         -0.536707
