 Etot  =    -1939.373561
 Ekin  =     1968.130697
 Ecoul =      838.406098
 Eenuc =    -4675.106069
 Exc   =      -70.804286
 1s       -374.076649
 2s        -46.200012
 2p        -40.303964
 3s         -5.404759
 3p         -3.621332
 3d         -0.714634
 4s         -0.336407
 4p         -0.100475
