 Etot  =   -12494.494134
 Ekin  =    12489.472991
 Ecoul =     4989.327804
 Eenuc =   -29714.699413
 Exc   =     -258.595516
 1s      -1962.034521
 2s       -316.545274
 2p       -302.253018
 3s        -70.544064
 3p        -64.052610
 3d        -51.916190
 4s        -13.657889
 4p        -11.053953
 4d         -6.361899
 4f         -0.513018
 5s         -1.850983
 5p         -1.168969
 6s         -0.317249
