 Etot  =    -2783.987300
 Ekin  =     2841.145380
 Ecoul =     1180.932299
 Eenuc =    -6715.990502
 Exc   =      -90.074477
 1s       -517.653657
 2s        -68.244623
 2p        -60.457306
 3s         -9.643676
 3p         -7.154156
 3d         -3.005055
 4s         -0.851681
 4p         -0.345161
