 Etot  =   -10818.775287
 Ekin  =    11554.331287
 Ecoul =     4207.288219
 Eenuc =   -26363.657072
 Exc   =     -216.737721
 1s      -1766.373116
 2s       -290.439989
 2p       -259.186835
 3s        -63.926186
 3p        -54.166802
 3d        -41.042507
 4s        -12.667811
 4p         -9.447968
 4d         -4.946526
 4f         -0.111716
 5s         -1.639370
 5p         -0.875628
 6s         -0.137961
