 Etot  =   -12128.478118
 Ekin  =    13043.057325
 Ecoul =     4735.651061
 Eenuc =   -29672.866007
 Exc   =     -234.320497
 1s      -1959.332269
 2s       -326.689487
 2p       -290.330335
 3s        -72.734443
 3p        -61.538169
 3d        -47.063082
 4s        -14.359219
 4p        -10.662943
 4d         -5.612281
 4f         -0.126861
 5s         -1.795032
 5p         -0.934101
 6s         -0.142758
