 Etot  =    -4683.334925
 Ekin  =     4680.304702
 Ecoul =     1923.496867
 Eenuc =   -11155.811524
 Exc   =     -131.324970
 1sD      -821.131404
 1su      -821.130514
 2sD      -116.806912
 2su      -116.795666
 2pD      -108.356371
 2pu      -108.347604
 3sD       -20.764176
 3su       -20.756001
 3pD       -17.414175
 3pu       -17.405379
 3dD       -11.217387
 3du       -11.206033
 4sD        -2.843034
 4su        -2.796433
 4pD        -1.824610
 4pu        -1.776713
 4dD        -0.258368
 4du        -0.208943
 5sD        -0.168508
 5su        -0.131421
