 Etot  =   -17326.576377
 Ekin  =    17320.592847
 Ecoul =     6958.348706
 Eenuc =   -41279.089979
 Exc   =     -326.427950
 1s      -2613.096532
 2s       -434.858003
 2p       -417.960530
 3s       -101.274869
 3p        -93.309108
 3d        -78.400271
 4s        -21.110651
 4p        -17.697297
 4d        -11.419476
 4f         -3.038049
 5s         -2.950526
 5p         -1.884256
 5d         -0.273634
 6s         -0.161308
