 Etot  =    -2974.521260
 Ekin  =     3039.307683
 Ecoul =     1249.631696
 Eenuc =    -7169.595831
 Exc   =      -93.864809
 1s       -549.629435
 2s        -73.505381
 2p        -65.286447
 3s        -10.888030
 3p         -8.241177
 3d         -3.832301
 4s         -1.172783
 4p         -0.589351
 5s         -0.086705
