 Etot  =    -4683.055688
 Ekin  =     4680.039086
 Ecoul =     1911.051569
 Eenuc =   -11142.998376
 Exc   =     -131.147967
 1sD      -821.411698
 1su      -821.411503
 2sD      -117.083831
 2su      -117.072512
 2pD      -108.633492
 2pu      -108.624775
 3sD       -21.042297
 3su       -21.034490
 3pD       -17.692278
 3pu       -17.683826
 3dD       -11.495202
 3du       -11.484033
 4sD        -3.124867
 4su        -3.078340
 4pD        -2.107028
 4pu        -2.059732
 4dD        -0.535863
 4du        -0.492052
