 Etot  =     -199.382839
 Ekin  =      199.215426
 Ecoul =       95.777042
 Eenuc =     -478.976612
 Exc   =      -15.398695
 1s        -46.005065
 2s         -2.911715
 2p         -1.717249
 3s         -0.175634
