 Etot  =   -27899.436008
 Ekin  =    32712.671085
 Ecoul =    10369.493390
 Eenuc =   -70587.325656
 Exc   =     -394.274828
 1s      -4234.831299
 2s       -792.648916
 2p       -659.415915
 3s       -200.484529
 3p       -163.461950
 3d       -131.364612
 4s        -51.275354
 4p        -39.165605
 4d        -26.979247
 4f        -14.002720
 5s        -11.623985
 5p         -7.864179
 5d         -3.912510
 5f         -0.404847
 6s         -2.033074
 6p         -1.127244
 7s         -0.371982
