 Etot  =   -16102.495405
 Ekin  =    17682.387769
 Ecoul =     6298.016380
 Eenuc =   -39799.833801
 Exc   =     -283.065753
 1s      -2536.622246
 2s       -438.327269
 2p       -383.958990
 3s       -100.986497
 3p        -84.847717
 3d        -66.204146
 4s        -20.802034
 4p        -15.494786
 4d         -8.746637
 4f         -1.239230
 5s         -2.900456
 5p         -1.590365
 5d         -0.173012
 6s         -0.215946
