 Etot  =    -1154.957122
 Ekin  =     1165.420457
 Ecoul =      479.706195
 Eenuc =    -2751.450866
 Exc   =      -48.632908
 1s       -235.441694
 2s        -27.526493
 2p        -23.422089
 3s         -3.437780
 3p         -2.306283
 3d         -0.559873
 4s         -0.446488
