 Etot  =    -2936.337293
 Ekin  =     2933.940454
 Ecoul =     1239.168864
 Eenuc =    -7013.689550
 Exc   =      -95.757061
 1s       -540.957115
 2s        -71.291202
 2p        -64.784678
 3s        -10.513861
 3p         -8.165416
 3d         -3.915508
 4s         -1.135051
 4p         -0.592170
 5s         -0.085375
