 Etot  =    -1791.376213
 Ekin  =     1816.081656
 Ecoul =      767.556971
 Eenuc =    -4308.090621
 Exc   =      -66.924219
 1s       -348.694606
 2s        -42.745633
 2p        -37.180940
 3s         -5.073125
 3p         -3.414547
 3d         -0.740320
 4s         -0.526288
