 Etot  =    -1379.865190
 Ekin  =     1378.249661
 Ecoul =      586.054266
 Eenuc =    -3287.629441
 Exc   =      -56.539675
 1s       -275.731215
 2s        -32.463543
 2p        -28.239018
 3s         -3.765839
 3p         -2.507576
 3d         -0.464776
