 Etot  =    -8563.166327
 Ekin  =     8559.113426
 Ecoul =     3344.674051
 Eenuc =   -20270.657962
 Exc   =     -196.295842
 1s      -1406.273692
 2s       -218.806178
 2p       -207.046737
 3s        -47.157975
 3p        -42.060950
 3d        -32.534811
 4s         -9.555932
 4p         -7.655243
 4d         -4.315489
 4f         -0.461654
 5s         -1.496960
 5p         -0.981206
 5d         -0.281156
