 Etot  =    -2424.017817
 Ekin  =     2468.054730
 Ecoul =     1022.531042
 Eenuc =    -5832.754690
 Exc   =      -81.848898
 1s       -457.623339
 2s        -59.214457
 2p        -52.235116
 3s         -8.183013
 3p         -5.991799
 3d         -2.349879
 4s         -0.993787
 4p         -0.572724
