 Etot  =    -6914.773092
 Ekin  =     6911.095910
 Ecoul =     2766.012734
 Eenuc =   -16421.269549
 Exc   =     -170.612187
 1s      -1161.787047
 2s       -175.073804
 2p       -164.603788
 3s        -35.243351
 3p        -30.831092
 3d        -22.600693
 4s         -6.115811
 4p         -4.572522
 4d         -1.938179
 5s         -0.596339
 5p         -0.267904
