 Etot  =    -9607.639211
 Ekin  =    10329.056117
 Ecoul =     3732.834070
 Eenuc =   -23469.015449
 Exc   =     -200.513948
 1sP     -1583.602273
 2sP      -256.377644
 2pM      -242.835345
 2pP      -223.926274
 3sP       -55.633381
 3pM       -49.797677
 3pP       -46.021219
 3dM       -35.777290
 3dP       -34.956592
 4sP       -11.044804
 4pM        -8.836193
 4pP        -8.011320
 4dM        -4.363215
 4dP        -4.216897
 4fM        -0.083823
 4fP        -0.068884
 5sP        -1.483462
 5pM        -0.891154
 5pP        -0.779257
 6sP        -0.133169
