 Etot  =    -3536.475952
 Ekin  =     3533.878440
 Ecoul =     1454.555839
 Eenuc =    -8416.876136
 Exc   =     -108.034095
 1s       -639.540293
 2s        -87.483082
 2p        -80.256222
 3s        -14.476636
 3p        -11.760604
 3d         -6.790691
 4s         -2.164511
 4p         -1.431897
 4d         -0.386045
 5s         -0.365257
