 Etot  =    -5737.313809
 Ekin  =     5733.950328
 Ecoul =     2334.515886
 Eenuc =   -13654.958268
 Exc   =     -150.821755
 1sD      -983.645885
 1su      -983.645444
 2sD      -144.076648
 2su      -144.076536
 2pD      -134.627214
 2pu      -134.626943
 3sD       -27.219024
 3su       -27.218673
 3pD       -23.344217
 3pu       -23.343834
 3dD       -16.138233
 3du       -16.137907
 4sD        -4.061280
 4su        -4.060576
 4pD        -2.794566
 4pu        -2.793684
 4dD        -0.730118
 4du        -0.727450
 5sD        -0.297732
 5su        -0.279535
 5pD        -0.109434
 5pu        -0.090401
