 Etot  =    -2570.626651
 Ekin  =     2568.372520
 Ecoul =     1098.521830
 Eenuc =    -6149.837853
 Exc   =      -87.683149
 1sD      -480.182834
 1su      -480.180431
 2sD       -61.709832
 2su       -61.708277
 2pD       -55.678096
 2pu       -55.675875
 3sD        -8.409763
 3su        -8.406555
 3pD        -6.299711
 3pu        -6.296097
 3dD        -2.523476
 3du        -2.518928
 4sD        -0.731934
 4su        -0.706135
 4pD        -0.306343
 4pu        -0.282508
