 Etot  =   -11637.869664
 Ekin  =    11633.033352
 Ecoul =     4637.607532
 Eenuc =   -27663.021946
 Exc   =     -245.488603
 1s      -1843.229585
 2s       -295.342856
 2p       -281.558531
 3s        -65.299442
 3p        -59.091931
 3d        -47.486700
 4s        -12.551251
 4p        -10.094091
 4d         -5.686352
 4f         -0.265302
 5s         -1.547977
 5p         -0.903490
 6s         -0.132769
