 Etot  =    -9280.102736
 Ekin  =     9275.860111
 Ecoul =     3642.156724
 Eenuc =   -21990.011439
 Exc   =     -208.108131
 1s      -1509.915583
 2s       -236.829552
 2p       -224.567889
 3s        -51.376525
 3p        -46.006513
 3d        -35.969893
 4s        -10.216401
 4p         -8.183367
 4d         -4.592655
 4f         -0.394808
 5s         -1.550614
 5p         -1.013054
 6s         -0.294176
