 Etot  =    -1776.573850
 Ekin  =     1774.693645
 Ecoul =      774.056522
 Eenuc =    -4257.166094
 Exc   =      -68.157922
 1sD      -344.969756
 1su      -344.969756
 2sD       -41.531323
 2su       -41.531323
 2pD       -36.648765
 2pu       -36.648765
 3sD        -4.573041
 3su        -4.573041
 3pD        -3.022363
 3pu        -3.022363
 3dD        -0.398944
 3du        -0.398944
 4sD        -0.222725
 4su        -0.222725
