 Etot  =   -17860.790943
 Ekin  =    17854.711365
 Ecoul =     7170.546095
 Eenuc =   -42552.587217
 Exc   =     -333.461185
 1s      -2683.508245
 2s       -447.888973
 2p       -430.725701
 3s       -104.824516
 3p        -96.707000
 3d        -81.511751
 4s        -22.078357
 4p        -18.578652
 4d        -12.131815
 4f         -3.486824
 5s         -3.113936
 5p         -2.002495
 5d         -0.304738
 6s         -0.162334
