 Etot  =    -1939.157347
 Ekin  =     1967.933458
 Ecoul =      829.077072
 Eenuc =    -4665.553576
 Exc   =      -70.614302
 1s       -374.386453
 2s        -46.506871
 2p        -40.611241
 3s         -5.712300
 3p         -3.928972
 3d         -1.021454
 4s         -0.611291
