 Etot  =    -2936.183045
 Ekin  =     2933.797002
 Ecoul =     1231.458189
 Eenuc =    -7005.789105
 Exc   =      -95.649131
 1sD      -541.169308
 1su      -541.169308
 2sD       -71.503311
 2su       -71.503311
 2pD       -64.996761
 2pu       -64.996761
 3sD       -10.725842
 3su       -10.725842
 3pD        -8.377382
 3pu        -8.377382
 3dD        -4.127456
 3du        -4.127456
 4sD        -1.345625
 4su        -1.345625
 4pD        -0.800826
 4pu        -0.800826
