 Etot  =    -7430.574788
 Ekin  =     7791.610919
 Ecoul =     2929.297187
 Eenuc =   -17981.734879
 Exc   =     -169.748015
 1s      -1255.733395
 2s       -195.699538
 2p       -175.890898
 3s        -40.033422
 3p        -33.608877
 3d        -24.016322
 4s         -7.217400
 4p         -5.174908
 4d         -2.187468
 5s         -0.732330
 5p         -0.308113
