 Etot  =    -1921.629140
 Ekin  =     1919.695296
 Ecoul =      824.445451
 Eenuc =    -4594.040819
 Exc   =      -71.729068
 1s       -370.479900
 2s        -45.507206
 2p        -40.400085
 3s         -5.548636
 3p         -3.891719
 3d         -1.042431
 4s         -0.601070
