 Etot  =    -3129.240801
 Ekin  =     3126.795708
 Ecoul =     1300.262836
 Eenuc =    -7456.686091
 Exc   =      -99.613254
 1sD      -573.104778
 1su      -573.104159
 2sD       -76.725996
 2su       -76.725551
 2pD       -69.980116
 2pu       -69.979692
 3sD       -12.005505
 3su       -12.004754
 3pD        -9.535785
 3pu        -9.535004
 3dD        -5.047421
 3du        -5.046593
 4sD        -1.687489
 4su        -1.684594
 4pD        -1.075807
 4pu        -1.071397
 5sD        -0.321055
 5su        -0.293458
