 Etot  =    -7550.416737
 Ekin  =     7546.603628
 Ecoul =     2977.950098
 Eenuc =   -17894.442887
 Exc   =     -180.527576
 1s      -1256.928252
 2s       -192.171307
 2p       -181.184757
 3s        -40.041005
 3p        -35.355842
 3d        -26.607827
 4s         -7.645151
 4p         -5.958484
 4d         -3.037466
 5s         -1.103627
 5p         -0.690892
