 Etot  =    -3329.520604
 Ekin  =     3326.984254
 Ecoul =     1384.603788
 Eenuc =    -7937.187681
 Exc   =     -103.920964
 1s       -605.631981
 2s        -81.789102
 2p        -74.803201
 3s        -12.992217
 3p        -10.399926
 3d         -5.671499
 4s         -1.697124
 4p         -1.024490
 4d         -0.108691
 5s         -0.150727
