 Etot  =    -2397.706082
 Ekin  =     2395.553491
 Ecoul =     1015.437113
 Eenuc =    -5725.378195
 Exc   =      -83.318491
 1s       -451.691079
 2s        -57.699480
 2p        -51.902403
 3s         -7.932997
 3p         -5.939254
 3d         -2.396420
 4s         -0.971705
 4p         -0.573200
