 Etot  =    -4276.507070
 Ekin  =     4430.959137
 Ecoul =     1733.621049
 Eenuc =   -10322.471285
 Exc   =     -118.615970
 1sP      -762.643375
 2sP      -109.168215
 2pM      -100.848299
 2pP       -96.538709
 3sP       -19.233013
 3pM       -16.013392
 3pP       -15.291666
 3dM        -9.549483
 3dP        -9.410096
 4sP        -2.968955
 4pM        -2.021555
 4pP        -1.912074
 4dM        -0.533057
 4dP        -0.522121
 5sP        -0.429799
