 Etot  =    -3129.453161
 Ekin  =     3126.990706
 Ecoul =     1308.954372
 Eenuc =    -7465.641817
 Exc   =      -99.756422
 1s       -572.870169
 2s        -76.491823
 2p        -69.745941
 3s        -11.771585
 3p         -9.301863
 3d         -4.813498
 4s         -1.455317
 4p         -0.844489
 5s         -0.131793
