 Etot  =    -1269.203563
 Ekin  =     1281.820878
 Ecoul =      537.639306
 Eenuc =    -3036.447136
 Exc   =      -52.216611
 1s       -255.954644
 2s        -29.999533
 2p        -25.623699
 3s         -3.429663
 3p         -2.200495
 3d         -0.285808
 4s         -0.201138
