 Etot  =    -4935.023835
 Ekin  =     4931.917838
 Ecoul =     2012.538053
 Eenuc =   -11743.461987
 Exc   =     -136.017740
 1sD      -860.557793
 1su      -860.557661
 2sD      -123.533372
 2su      -123.527123
 2pD      -114.835600
 2pu      -114.830772
 3sD       -22.488485
 3su       -22.484192
 3pD       -19.008535
 3pu       -19.003904
 3dD       -12.560765
 3du       -12.554671
 4sD        -3.322873
 4su        -3.298724
 4pD        -2.246176
 4pu        -2.221813
 4dD        -0.565667
 4du        -0.543390
