 Etot  =    -6019.953353
 Ekin  =     6016.512431
 Ecoul =     2438.225987
 Eenuc =   -14319.014475
 Exc   =     -155.677296
 1s      -1026.762169
 2s       -151.523991
 2p       -141.821093
 3s        -29.125969
 3p        -25.117913
 3d        -17.657276
 4s         -4.546335
 4p         -3.211998
 4d         -1.004952
 5s         -0.369349
 5p         -0.144450
