 Etot  =    -2232.191477
 Ekin  =     2230.113594
 Ecoul =      949.156013
 Eenuc =    -5332.082748
 Exc   =      -79.378336
 1s       -423.700484
 2s        -53.453825
 2p        -47.889055
 3s         -7.090462
 3p         -5.211371
 3d         -1.901607
 4s         -0.848903
 4p         -0.498152
