 Etot  =   -21261.161160
 Ekin  =    21254.598034
 Ecoul =     8387.567299
 Eenuc =   -50528.737086
 Exc   =     -374.589406
 1s      -3127.718467
 2s       -532.145536
 2p       -513.371578
 3s       -129.362344
 3p       -120.321851
 3d       -103.387226
 4s        -30.135934
 4p        -26.104681
 4d        -18.621559
 4f         -8.389848
 5s         -5.778320
 5p         -4.351752
 5d         -1.967166
 6s         -0.859787
 6p         -0.537986
