 Etot  =    -1637.485140
 Ekin  =     1635.699597
 Ecoul =      704.959430
 Eenuc =    -3913.938366
 Exc   =      -64.205801
 1s       -321.104866
 2s        -38.448413
 2p        -33.789211
 3s         -4.373979
 3p         -2.926616
 3d         -0.518299
