 Etot  =   -18398.866675
 Ekin  =    20974.712911
 Ecoul =     7154.545435
 Eenuc =   -46219.285439
 Exc   =     -308.839583
 1sP     -2857.791164
 2sP      -502.503805
 2pM      -481.962711
 2pP      -419.263282
 3sP      -118.312929
 3pM      -109.037303
 3pP       -95.240360
 3dM       -79.728175
 3dP       -76.737252
 4sP       -25.630696
 4pM       -21.686294
 4pP       -18.389823
 4dM       -11.906185
 4dP       -11.290010
 4fM        -2.969598
 4fP        -2.842619
 5sP        -4.031025
 5pM        -2.766743
 5pP        -2.218232
 5dM        -0.567995
 5dP        -0.517367
