 Etot  =    -5868.404706
 Ekin  =     6100.090338
 Ecoul =     2352.656905
 Eenuc =   -14174.996462
 Exc   =     -146.155487
 1s      -1014.437547
 2s       -152.331694
 2p       -136.988709
 3s        -29.123508
 3p        -24.076479
 3d        -16.184559
 4s         -4.654287
 4p         -3.141815
 4d         -0.966425
 5s         -0.561320
