 Etot  =   -21523.264151
 Ekin  =    25072.110579
 Ecoul =     8260.495405
 Eenuc =   -54516.099651
 Exc   =     -339.770485
 1sP     -3302.390801
 2sP      -593.730268
 2pM      -570.764739
 2pP      -486.707425
 3sP      -143.611889
 3pM      -133.189263
 3pP      -114.346713
 3dM       -97.224078
 3dP       -93.205686
 4sP       -33.162333
 4pM       -28.621619
 4pP       -23.965982
 4dM       -16.560808
 4dP       -15.687222
 4fM        -6.030968
 4fP        -5.829296
 5sP        -6.060710
 5pM        -4.478231
 5pP        -3.572664
 5dM        -1.363866
 5dP        -1.253006
 6sP        -0.819687
 6pM        -0.493083
 6pP        -0.407248
