 Etot  =   -13549.013746
 Ekin  =    14952.503484
 Ecoul =     5309.117998
 Eenuc =   -33557.265752
 Exc   =     -253.369476
 1sP     -2161.944181
 2sP      -365.219042
 2pM      -348.455520
 2pP      -312.862542
 3sP       -82.288887
 3pM       -74.851376
 3pP       -67.329775
 3dM       -54.555254
 3dP       -52.902303
 4sP       -16.377080
 4pM       -13.377814
 4pP       -11.672011
 4dM        -6.714496
 4dP        -6.402740
 4fM        -0.398882
 4fP        -0.354729
 5sP        -2.204175
 5pM        -1.391161
 5pP        -1.180877
 6sP        -0.346056
