 Etot  =   -15060.404634
 Ekin  =    16787.907398
 Ecoul =     5916.472097
 Eenuc =   -37492.884612
 Exc   =     -271.899517
 1sP     -2379.706078
 2sP      -407.231108
 2pM      -389.282804
 2pP      -346.023424
 3sP       -92.811947
 3pM       -84.792167
 3pP       -75.513513
 3dM       -61.853398
 3dP       -59.818340
 4sP       -18.665176
 4pM       -15.370257
 4pP       -13.237819
 4dM        -7.797870
 4dP        -7.405424
 4fM        -0.667584
 4fP        -0.603343
 5sP        -2.451237
 5pM        -1.513938
 5pP        -1.228520
 5dM        -0.116709
 5dP        -0.099969
 6sP        -0.192568
