 Etot  =   -10419.710775
 Ekin  =    10415.168162
 Ecoul =     4124.189856
 Eenuc =   -24732.674220
 Exc   =     -226.394574
 1s      -1672.309322
 2s       -265.199534
 2p       -252.176697
 3s        -58.068128
 3p        -52.281987
 3d        -41.465518
 4s        -11.267747
 4p         -9.025455
 4d         -5.032420
 4f         -0.232773
 5s         -1.444087
 5p         -0.853575
 6s         -0.129426
