 Etot  =   -17210.516806
 Ekin  =    19010.365442
 Ecoul =     6712.918147
 Eenuc =   -42638.478646
 Exc   =     -295.321749
 1s      -2696.350719
 2s       -470.130700
 2p       -410.029278
 3s       -109.453174
 3p        -91.766852
 3d        -71.930129
 4s        -23.068246
 4p        -17.253310
 4d        -10.012243
 4f         -1.933105
 5s         -3.358819
 5p         -1.871239
 5d         -0.238716
 6s         -0.233282
