 Etot  =    -2936.342160
 Ekin  =     2933.947490
 Ecoul =     1239.258490
 Eenuc =    -7013.783989
 Exc   =      -95.764150
 1sD      -540.954729
 1su      -540.954452
 2sD       -71.288799
 2su       -71.288600
 2pD       -64.782264
 2pu       -64.782081
 3sD       -10.511550
 3su       -10.511207
 3pD        -8.163113
 3pu        -8.162755
 3dD        -3.913223
 3du        -3.912834
 4sD        -1.133408
 4su        -1.132002
 4pD        -0.591140
 4pu        -0.588538
 5sD        -0.092124
 5su        -0.072900
