 Etot  =   -13534.832864
 Ekin  =    14663.344745
 Ecoul =     5311.599603
 Eenuc =   -33257.081306
 Exc   =     -252.695905
 1s      -2164.566898
 2s       -365.644921
 2p       -323.356963
 3s        -82.196460
 3p        -69.355355
 3d        -53.423051
 4s        -16.161007
 4p        -11.929997
 4d         -6.292904
 4f         -0.126951
 5s         -1.958059
 5p         -0.991646
 6s         -0.147723
