 Etot  =    -5737.101461
 Ekin  =     5733.753634
 Ecoul =     2321.096294
 Eenuc =   -13641.317213
 Exc   =     -150.634176
 1sD      -983.924901
 1su      -983.924901
 2sD      -144.354301
 2su      -144.354301
 2pD      -134.904998
 2pu      -134.904998
 3sD       -27.496401
 3su       -27.496401
 3pD       -23.621599
 3pu       -23.621599
 3dD       -16.415572
 3du       -16.415572
 4sD        -4.338471
 4su        -4.338471
 4pD        -3.071699
 4pu        -3.071699
 4dD        -1.005437
 4du        -1.005437
 5sD        -0.536302
 5su        -0.536302
