 Etot  =   -23088.500536
 Ekin  =    23081.693063
 Ecoul =     9028.545232
 Eenuc =   -54803.204503
 Exc   =     -395.534328
 1s      -3362.932334
 2s       -577.296878
 2p       -557.708882
 3s       -142.828057
 3p       -133.318884
 3d       -115.502117
 4s        -34.721157
 4p        -30.416735
 4d        -22.403650
 4f        -11.376591
 5s         -7.334241
 5p         -5.742247
 5d         -3.014704
 6s         -1.244126
 6p         -0.825940
 7s         -0.264219
