 Etot  =    -3329.271533
 Ekin  =     3326.758539
 Ecoul =     1371.080579
 Eenuc =    -7923.484849
 Exc   =     -103.625803
 1sD      -605.987944
 1su      -605.987944
 2sD       -82.152632
 2su       -82.152632
 2pD       -75.166067
 2pu       -75.166067
 3sD       -13.352295
 3su       -13.352295
 3pD       -10.760041
 3pu       -10.760041
 3dD        -6.032290
 3du        -6.032290
 4sD        -2.043541
 4su        -2.043541
 4pD        -1.363796
 4pu        -1.363796
 5sD        -0.380036
 5su        -0.380036
