 Etot  =    -3129.233889
 Ekin  =     3126.786032
 Ecoul =     1300.205154
 Eenuc =    -7456.620529
 Exc   =      -99.604546
 1s       -573.106170
 2s        -76.727435
 2p        -69.981571
 3s        -12.006751
 3p         -9.537015
 3d         -5.048626
 4s         -1.687471
 4p         -1.075057
 5s         -0.310528
