 Etot  =    -6778.957775
 Ekin  =     7082.738639
 Ecoul =     2677.947812
 Eenuc =   -16379.679413
 Exc   =     -159.964813
 1s      -1155.927374
 2s       -177.787351
 2p       -159.900787
 3s        -35.647526
 3p        -29.807937
 3d        -20.916341
 4s         -6.342364
 4p         -4.524181
 4d         -1.867229
 5s         -0.870477
 5p         -0.510397
