 Etot  =     -287.910519
 Ekin  =      287.220374
 Ecoul =      127.166986
 Eenuc =     -682.979176
 Exc   =      -19.318703
 1s        -65.540902
 2s         -5.424457
 2p         -3.864970
 3s         -0.700199
 3p         -0.432114
