 Etot  =   -21261.555215
 Ekin  =    21254.968349
 Ecoul =     8414.956548
 Eenuc =   -50556.606342
 Exc   =     -374.873771
 1s      -3127.390276
 2s       -531.818350
 2p       -513.044243
 3s       -129.035542
 3p       -119.995013
 3d       -103.060375
 4s        -29.809515
 4p        -25.778264
 4d        -18.295162
 4f         -8.063483
 5s         -5.453383
 5p         -4.027061
 5d         -1.643758
 6s         -0.560189
 6p         -0.255453
