 Etot  =   -22133.678779
 Ekin  =    25108.089737
 Ecoul =     8475.713236
 Eenuc =   -55372.632927
 Exc   =     -344.848825
 1s      -3403.541382
 2s       -614.883273
 2p       -525.295428
 3s       -149.324361
 3p       -123.780039
 3d        -98.470041
 4s        -34.701600
 4p        -26.318458
 4d        -16.842077
 4f         -6.393611
 5s         -6.296310
 5p         -3.895750
 5d         -1.227885
 6s         -0.629214
 6p         -0.213472
