 Etot  =    -5195.031215
 Ekin  =     5191.818600
 Ecoul =     2131.618463
 Eenuc =   -12377.294484
 Exc   =     -141.173794
 1s       -900.324578
 2s       -129.859807
 2p       -120.913351
 3s        -23.678437
 3p        -20.067630
 3d        -13.367803
 4s         -3.223090
 4p         -2.086602
 4d         -0.298706
 5s         -0.157407
