 Etot  =   -12936.560508
 Ekin  =    12931.438594
 Ecoul =     5180.450824
 Eenuc =   -30783.068255
 Exc   =     -265.381672
 1s      -2022.709046
 2s       -327.293851
 2p       -312.747446
 3s        -73.109762
 3p        -66.475381
 3d        -54.071622
 4s        -14.102106
 4p        -11.423630
 4d         -6.586861
 4f         -0.519677
 5s         -1.887056
 5p         -1.186671
 6s         -0.319884
