 Etot  =    -8478.132735
 Ekin  =     9045.718274
 Ecoul =     3282.143276
 Eenuc =   -20621.816733
 Exc   =     -184.177552
 1sP     -1414.238370
 2sP      -225.362814
 2pM      -212.807534
 2pP      -197.780426
 3sP       -48.217421
 3pM       -42.875827
 3pP       -39.946028
 3dM       -30.512299
 3dP       -29.882186
 4sP        -9.727067
 4pM        -7.755776
 4pP        -7.127246
 4dM        -3.878919
 4dP        -3.769413
 5sP        -1.430505
 5pM        -0.890466
 5pP        -0.796879
 5dM        -0.122652
 5dP        -0.115678
 6sP        -0.139768
