 Etot  =    -1148.368924
 Ekin  =     1146.960322
 Ecoul =      478.541839
 Eenuc =    -2724.388957
 Exc   =      -49.482128
 1sD      -233.961777
 1su      -233.959577
 2sD       -27.164160
 2su       -27.077740
 2pD       -23.354849
 2pu       -23.288547
 3sD        -3.432993
 3su        -3.245944
 3pD        -2.347276
 3pu        -2.163429
 3dD        -0.616111
 3du        -0.445120
 4sD        -0.466546
 4su        -0.378954
