 Etot  =     -287.918773
 Ekin  =      287.230682
 Ecoul =      127.192893
 Eenuc =     -683.013304
 Exc   =      -19.329045
 1sD       -65.540452
 1su       -65.536489
 2sD        -5.424683
 2su        -5.419930
 2pD        -3.865781
 2pu        -3.859795
 3sD        -0.715210
 3su        -0.679848
 3pD        -0.446190
 3pu        -0.412941
