 Etot  =    -4202.188857
 Ekin  =     4199.331793
 Ecoul =     1724.900741
 Eenuc =   -10004.790618
 Exc   =     -121.630774
 1s       -745.742024
 2s       -104.567508
 2p        -96.610210
 3s        -18.135303
 3p        -15.041738
 3d         -9.339860
 4s         -2.550712
 4p         -1.643230
 4d         -0.270262
 5s         -0.183636
