 Etot  =   -15041.302710
 Ekin  =    16424.877590
 Ecoul =     5898.918562
 Eenuc =   -37094.128029
 Exc   =     -270.970833
 1s      -2383.169874
 2s       -408.053490
 2p       -358.879893
 3s        -93.003809
 3p        -78.275918
 3d        -60.762383
 4s        -18.704710
 4p        -13.860168
 4d         -7.578974
 4f         -0.633577
 5s         -2.456978
 5p         -1.309249
 5d         -0.106303
 6s         -0.192551
