 Etot  =   -22470.319655
 Ekin  =    22463.573810
 Ecoul =     8837.303934
 Eenuc =   -53382.425806
 Exc   =     -388.771593
 1s      -3283.263399
 2s       -561.730450
 2p       -542.414240
 3s       -137.959632
 3p       -128.607136
 3d       -111.085223
 4s        -32.861013
 4p        -28.648131
 4d        -20.812462
 4f        -10.050648
 5s         -6.509516
 5p         -4.973280
 5d         -2.360991
 6s         -0.841848
 6p         -0.466197
 7s         -0.076176
