 Etot  =   -16801.677471
 Ekin  =    16795.798049
 Ecoul =     6740.648988
 Eenuc =   -40018.842379
 Exc   =     -319.282128
 1s      -2543.761342
 2s       -422.159424
 2p       -405.526834
 3s        -97.923081
 3p        -90.108427
 3d        -75.485027
 4s        -20.294290
 4p        -16.966578
 4d        -10.856593
 4f         -2.738339
 5s         -2.909174
 5p         -1.883349
 5d         -0.335189
 6s         -0.195511
