 Etot  =    -2232.587154
 Ekin  =     2230.498886
 Ecoul =      961.107904
 Eenuc =    -5344.483402
 Exc   =      -79.710543
 1sD      -423.325636
 1su      -423.320985
 2sD       -53.081392
 2su       -53.078839
 2pD       -47.516835
 2pu       -47.512845
 3sD        -6.721389
 3su        -6.715386
 3pD        -4.842850
 3pu        -4.835858
 3dD        -1.535750
 3du        -1.524956
 4sD        -0.547213
 4su        -0.472809
 4pD        -0.220331
 4pu        -0.150320
