 Etot  =    -7100.468962
 Ekin  =     7431.873857
 Ecoul =     2810.622805
 Eenuc =   -17177.999198
 Exc   =     -164.966427
 1s      -1205.068541
 2s       -186.441920
 2p       -167.618372
 3s        -37.631504
 3p        -31.505471
 3d        -22.267031
 4s         -6.600825
 4p         -4.672730
 4d         -1.852195
 5s         -0.646946
 5p         -0.266037
