 Etot  =    -6781.608647
 Ekin  =     7151.508845
 Ecoul =     2699.126623
 Eenuc =   -16471.660084
 Exc   =     -160.584032
 1sP     -1154.719568
 2sP      -177.265633
 2pM      -166.313852
 2pP      -156.322525
 3sP       -35.276638
 3pM       -30.734496
 3pP       -28.871440
 3dM       -20.791601
 3dP       -20.400030
 4sP        -6.002848
 4pM        -4.435181
 4pP        -4.077371
 4dM        -1.565553
 4dP        -1.511413
 5sP        -0.562265
 5pM        -0.245317
 5pP        -0.215315
