 Etot  =   -21473.928782
 Ekin  =    24271.188070
 Ecoul =     8250.008963
 Eenuc =   -53656.421789
 Exc   =     -338.704027
 1s      -3308.767700
 2s       -595.093629
 2p       -509.853412
 3s       -143.733840
 3p       -119.340536
 3d        -94.780745
 4s        -32.963243
 4p        -24.955275
 4d        -15.782515
 4f         -5.638061
 5s         -5.780180
 5p         -3.517451
 5d         -1.001713
 6s         -0.539987
 6p         -0.175191
