 Etot  =    -1637.785861
 Ekin  =     1635.982800
 Ecoul =      713.928477
 Eenuc =    -3923.329381
 Exc   =      -64.367756
 1s       -320.788520
 2s        -38.141310
 2p        -33.481247
 3s         -4.057453
 3p         -2.609244
 3d         -0.202272
 4s         -0.172056
