 Etot  =    -8840.235965
 Ekin  =     9341.824041
 Ecoul =     3416.006087
 Eenuc =   -21409.154942
 Exc   =     -188.911151
 1s      -1470.921989
 2s       -235.839099
 2p       -211.562534
 3s        -50.798242
 3p        -43.047142
 3d        -31.964198
 4s        -10.266032
 4p         -7.727476
 4d         -4.060284
 4f         -0.212073
 5s         -1.492564
 5p         -0.855702
 5d         -0.117564
 6s         -0.142266
