 Etot  =   -12586.088090
 Ekin  =    13567.822574
 Ecoul =     4906.214797
 Eenuc =   -30819.919527
 Exc   =     -240.205935
 1s      -2026.596799
 2s       -339.607686
 2p       -301.369794
 3s        -76.053492
 3p        -64.333603
 3d        -49.385286
 4s        -15.187540
 4p        -11.320136
 4d         -6.078627
 4f         -0.370363
 5s         -2.092872
 5p         -1.196935
 6s         -0.338067
