 Etot  =   -12597.982497
 Ekin  =    13815.923406
 Ecoul =     4918.896943
 Eenuc =   -31091.832131
 Exc   =     -240.970714
 1sP     -2024.067708
 2sP      -339.018810
 2pM      -323.007965
 2pP      -291.881722
 3sP       -75.920529
 3pM       -68.855487
 3pP       -62.349602
 3dM       -50.150189
 3dP       -48.720891
 4sP       -15.161116
 4pM       -12.348055
 4pP       -10.881300
 4dM        -6.227852
 4dP        -5.960525
 4fM        -0.390234
 4fP        -0.354136
 5sP        -2.089180
 5pM        -1.327990
 5pP        -1.143248
 6sP        -0.338002
