 Etot  =   -17782.096582
 Ekin  =    19701.534850
 Ecoul =     6903.169574
 Eenuc =   -44085.508987
 Exc   =     -301.292019
 1s      -2778.942936
 2s       -486.930004
 2p       -423.743519
 3s       -114.176775
 3p        -95.661153
 3d        -75.202906
 4s        -24.569571
 4p        -18.482732
 4d        -10.985479
 4f         -2.617481
 5s         -3.902439
 5p         -2.321202
 5d         -0.573689
 6s         -0.509343
