 Etot  =   -20193.281797
 Ekin  =    22664.592412
 Ecoul =     7809.187848
 Eenuc =   -50340.584605
 Exc   =     -326.477452
 1s      -3124.788495
 2s       -556.946663
 2p       -479.788540
 3s       -133.011513
 3p       -110.763693
 3d        -87.645109
 4s        -29.657947
 4p        -22.350133
 4d        -13.763137
 4f         -4.219783
 5s         -4.801548
 5p         -2.794757
 5d         -0.576123
 6s         -0.359528
 6p         -0.094650
