 Etot  =    -2600.512192
 Ekin  =     2650.768984
 Ecoul =     1106.608840
 Eenuc =    -6271.817272
 Exc   =      -86.072744
 1s       -486.941125
 2s        -63.435363
 2p        -56.060938
 3s         -8.695492
 3p         -6.357818
 3d         -2.464447
 4s         -0.745247
 4p         -0.294158
