 Etot  =    -8117.148380
 Ekin  =     8543.898187
 Ecoul =     3155.066584
 Eenuc =   -19637.154314
 Exc   =     -178.958837
 1s      -1361.073534
 2s       -215.428450
 2p       -193.495272
 3s        -45.484169
 3p        -38.423871
 3d        -28.100341
 4s         -8.913841
 4p         -6.628392
 4d         -3.297871
 5s         -1.239572
 5p         -0.691136
 6s         -0.122827
