 Etot  =    -4040.261934
 Ekin  =     4178.913186
 Ecoul =     1657.347402
 Eenuc =    -9761.964341
 Exc   =     -114.558181
 1sP      -724.196036
 2sP      -102.395073
 2pM       -94.350509
 2pP       -90.466570
 3sP       -17.414330
 3pM       -14.332590
 3pP       -13.692056
 3dM        -8.199925
 3dP        -8.078091
 4sP        -2.359760
 4pM        -1.478879
 4pP        -1.386469
 4dM        -0.149561
 4dP        -0.142013
 5sP        -0.158219
