 Etot  =   -21473.629506
 Ekin  =    24270.914141
 Ecoul =     8225.231983
 Eenuc =   -53631.306294
 Exc   =     -338.469336
 1s      -3309.070755
 2s       -595.395659
 2p       -510.155556
 3s       -144.035631
 3p       -119.642341
 3d        -95.082503
 4s        -33.264876
 4p        -25.256891
 4d        -16.084093
 4f         -5.939600
 5s         -6.081233
 5p         -3.818372
 5d         -1.301118
 6s         -0.822364
 6p         -0.430169
