 Etot  =    -6163.492534
 Ekin  =     6417.478715
 Ecoul =     2472.824352
 Eenuc =   -14902.872335
 Exc   =     -150.923266
 1s      -1060.145644
 2s       -160.260500
 2p       -144.111626
 3s        -30.920177
 3p        -25.619497
 3d        -17.400975
 4s         -4.896669
 4p         -3.286467
 4d         -0.953808
 5s         -0.396243
 5p         -0.142153
