 Etot  =    -2398.111440
 Ekin  =     2395.934307
 Ecoul =     1028.192719
 Eenuc =    -5738.619928
 Exc   =      -83.618538
 1s       -451.300258
 2s        -57.311948
 2p        -51.514388
 3s         -7.547186
 3p         -5.553517
 3d         -2.011392
 4s         -0.621248
 4p         -0.245806
