 Etot  =    -5194.755725
 Ekin  =     5191.560699
 Ecoul =     2117.940487
 Eenuc =   -12363.255355
 Exc   =     -141.001556
 1sD      -900.619298
 1su      -900.619298
 2sD      -130.150963
 2su      -130.150963
 2pD      -121.204744
 2pu      -121.204744
 3sD       -23.971060
 3su       -23.971060
 3pD       -20.360220
 3pu       -20.360220
 3dD       -13.660016
 3du       -13.660016
 4sD        -3.519438
 4su        -3.519438
 4pD        -2.383685
 4pu        -2.383685
 4dD        -0.593717
 4du        -0.593717
