 Etot  =   -20872.631826
 Ekin  =    24203.736015
 Ecoul =     8037.654925
 Eenuc =   -52780.381969
 Exc   =     -333.640797
 1sP     -3209.848016
 2sP      -574.508135
 2pM      -552.049374
 2pP      -472.697230
 3sP      -138.189451
 3pM      -128.004220
 3pP      -110.279269
 3dM       -93.483295
 3dP       -89.689106
 4sP       -31.475289
 4pM       -27.057952
 4pP       -22.707427
 4dM       -15.489837
 4dP       -14.673565
 4fM        -5.285530
 4fP        -5.100697
 5sP        -5.550862
 5pM        -4.035446
 5pP        -3.214138
 5dM        -1.124743
 5dP        -1.029080
 6sP        -0.716099
 6pM        -0.423787
 6pP        -0.354490
