 Etot  =    -1650.549395
 Ekin  =     1671.634363
 Ecoul =      708.182917
 Eenuc =    -3967.079630
 Exc   =      -63.287045
 1s       -323.993901
 2s        -39.193297
 2p        -33.945922
 3s         -4.502953
 3p         -2.963435
 3d         -0.515082
