 Etot  =    -1148.449372
 Ekin  =     1146.990867
 Ecoul =      485.085158
 Eenuc =    -2731.133992
 Exc   =      -49.391406
 1s       -233.696912
 2s        -26.866646
 2p        -23.066297
 3s         -3.076637
 3p         -1.991450
 3d         -0.266540
 4s         -0.191136
