 Etot  =   -15780.236024
 Ekin  =    15774.543959
 Ecoul =     6337.535878
 Eenuc =   -37586.722924
 Exc   =     -305.592936
 1s      -2407.665572
 2s       -397.087707
 2p       -380.982869
 3s        -91.149193
 3p        -83.634578
 3d        -69.576760
 4s        -18.454325
 4p        -15.295495
 4d         -9.516816
 4f         -1.925080
 5s         -2.567348
 5p         -1.631227
 5d         -0.258639
 6s         -0.186859
