 Etot  =   -20193.083327
 Ekin  =    22664.418286
 Ecoul =     7787.409121
 Eenuc =   -50318.610829
 Exc   =     -326.299905
 1s      -3125.060351
 2s       -557.217492
 2p       -480.059487
 3s       -133.282279
 3p       -111.034476
 3d        -87.915818
 4s        -29.928712
 4p        -22.620901
 4d        -14.033883
 4f         -4.490529
 5s         -5.072431
 5p         -3.065925
 5d         -0.846230
 6s         -0.611153
