 Etot  =     -941.742204
 Ekin  =      940.448753
 Ecoul =      395.485129
 Eenuc =    -2234.721054
 Exc   =      -42.955032
 1sD      -195.206982
 1su      -195.206912
 2sD       -21.815866
 2su       -21.776288
 2pD       -18.431423
 2pu       -18.400931
 3sD        -2.560189
 3su        -2.461068
 3pD        -1.643439
 3pu        -1.546264
 3dD        -0.234462
 3du        -0.150389
 4sD        -0.186280
 4su        -0.161125
