 Etot  =     -241.454430
 Ekin  =      241.443918
 Ecoul =      109.037674
 Eenuc =     -574.753471
 Exc   =      -17.182551
 1s        -55.520567
 2s         -4.254760
 2p         -2.869906
 3s         -0.547999
