 Etot  =     -675.514035
 Ekin  =      674.447544
 Ecoul =      280.278826
 Eenuc =    -1596.248611
 Exc   =      -33.991795
 1sD      -144.193738
 1su      -144.192355
 2sD       -15.304453
 2su       -15.303067
 2pD       -12.542953
 2pu       -12.541647
 3sD        -1.961442
 3su        -1.957871
 3pD        -1.285048
 3pu        -1.280251
 4sD        -0.347687
 4su        -0.314890
