 Etot  =    -5195.037351
 Ekin  =     5191.826711
 Ecoul =     2131.701991
 Eenuc =   -12377.383542
 Exc   =     -141.182511
 1sD      -900.323018
 1su      -900.322342
 2sD      -129.857873
 2su      -129.857927
 2pD      -120.911471
 2pu      -120.911414
 3sD       -23.676747
 3su       -23.676394
 3pD       -20.065928
 3pu       -20.065596
 3dD       -13.366019
 3du       -13.365839
 4sD        -3.221445
 4su        -3.221253
 4pD        -2.085232
 4pu        -2.084523
 4dD        -0.299962
 4du        -0.294005
 5sD        -0.167365
 5su        -0.142816
