 Etot  =    -1637.793358
 Ekin  =     1635.992614
 Ecoul =      713.999508
 Eenuc =    -3923.406957
 Exc   =      -64.378522
 1sD      -320.786477
 1su      -320.785250
 2sD       -38.138141
 2su       -38.139169
 2pD       -33.478310
 2pu       -33.478871
 3sD        -4.054493
 3su        -4.055457
 3pD        -2.606569
 3pu        -2.606982
 3dD        -0.202474
 3du        -0.197109
 4sD        -0.184013
 4su        -0.153905
