 Etot  =    -1637.485140
 Ekin  =     1635.699597
 Ecoul =      704.959430
 Eenuc =    -3913.938366
 Exc   =      -64.205801
 1sD      -321.104866
 1su      -321.104866
 2sD       -38.448413
 2su       -38.448413
 2pD       -33.789211
 2pu       -33.789211
 3sD        -4.373979
 3su        -4.373979
 3pD        -2.926616
 3pu        -2.926616
 3dD        -0.518299
 3du        -0.518299
