 Etot  =   -13534.588204
 Ekin  =    14663.090044
 Ecoul =     5294.696188
 Eenuc =   -33239.832796
 Exc   =     -252.541641
 1s      -2164.815544
 2s       -365.892244
 2p       -323.604403
 3s        -82.442362
 3p        -69.601281
 3d        -53.669105
 4s        -16.407485
 4p        -12.176688
 4d         -6.539893
 4f         -0.374457
 5s         -2.208298
 5p         -1.241081
 6s         -0.346089
