 Etot  =    -6781.243695
 Ekin  =     7151.166797
 Ecoul =     2682.035257
 Eenuc =   -16454.133326
 Exc   =     -160.312423
 1sP     -1155.057327
 2sP      -177.601632
 2pM      -166.650156
 2pP      -156.658746
 3sP       -35.611960
 3pM       -31.069869
 3pP       -29.206776
 3dM       -21.126932
 3dP       -20.735350
 4sP        -6.336773
 4pM        -4.768964
 4pP        -4.411040
 4dM        -1.898153
 4dP        -1.843905
 5sP        -0.869822
 5pM        -0.534470
 5pP        -0.499430
