 Etot  =   -11244.701678
 Ekin  =    12036.507074
 Ecoul =     4363.353887
 Eenuc =   -27422.418209
 Exc   =     -222.144431
 1s      -1829.594357
 2s       -302.485364
 2p       -269.611367
 3s        -67.076417
 3p        -56.858628
 3d        -43.292147
 4s        -13.488617
 4p        -10.110469
 4d         -5.420580
 4f         -0.333196
 5s         -1.825720
 5p         -1.003941
 5d         -0.099570
 6s         -0.156413
