 Etot  =   -17782.469078
 Ekin  =    19701.968192
 Ecoul =     6926.638444
 Eenuc =   -44109.558374
 Exc   =     -301.517340
 1s      -2778.633804
 2s       -486.623456
 2p       -423.436920
 3s       -113.869808
 3p        -95.354191
 3d        -74.896156
 4s        -24.262392
 4p        -18.175567
 4d        -10.678393
 4f         -2.310376
 5s         -3.594854
 5p         -2.012925
 5d         -0.271664
 6s         -0.240755
