 Etot  =     -847.303463
 Ekin  =      846.080558
 Ecoul =      355.394778
 Eenuc =    -2008.923404
 Exc   =      -39.855395
 1sD      -177.267886
 1su      -177.267959
 2sD       -19.459217
 2su       -19.436951
 2pD       -16.284261
 2pu       -16.267021
 3sD        -2.280397
 3su        -2.218929
 3pD        -1.445186
 3pu        -1.384658
 3dD        -0.190033
 3du        -0.137659
 4sD        -0.174774
 4su        -0.156623
