 Etot  =    -2749.616630
 Ekin  =     2747.309879
 Ecoul =     1156.483772
 Eenuc =    -6561.959351
 Exc   =      -91.450930
 1s       -510.426134
 2s        -66.725330
 2p        -60.457276
 3s         -9.751626
 3p         -7.523009
 3d         -3.510002
 4s         -1.219612
 4p         -0.724091
