 Etot  =   -18956.957627
 Ekin  =    18950.710388
 Ecoul =     7576.942724
 Eenuc =   -45137.454222
 Exc   =     -347.156518
 1s      -2827.569408
 2s       -474.953368
 2p       -457.255971
 3s       -112.522180
 3p       -104.099296
 3d        -88.328299
 4s        -24.471512
 4p        -20.797078
 4d        -14.008848
 4f         -4.835747
 5s         -3.811512
 5p         -2.598730
 5d         -0.674544
 6s         -0.285020
 6p         -0.101507
