 Etot  =    -4773.571808
 Ekin  =     4930.989838
 Ecoul =     1945.215295
 Eenuc =   -11521.964683
 Exc   =     -127.812259
 1s       -842.009256
 2s       -122.234105
 2p       -109.739040
 3s        -21.830793
 3p        -17.704518
 3d        -11.058900
 4s         -3.024167
 4p         -1.853949
 4d         -0.226496
 5s         -0.167846
