 Etot  =    -2232.220332
 Ekin  =     2230.149154
 Ecoul =      949.311225
 Eenuc =    -5332.267119
 Exc   =      -79.413591
 1sD      -423.696818
 1su      -423.693060
 2sD       -53.449498
 2su       -53.447425
 2pD       -47.885279
 2pu       -47.882046
 3sD        -7.087911
 3su        -7.083040
 3pD        -5.209220
 3pu        -5.203543
 3dD        -1.900935
 3du        -1.892207
 4sD        -0.872030
 4su        -0.812507
 4pD        -0.520825
 4pu        -0.462501
