 Etot  =    -3590.712330
 Ekin  =     3701.667540
 Ecoul =     1469.979512
 Eenuc =    -8656.590148
 Exc   =     -105.769234
 1sP      -651.550783
 2sP       -90.589909
 2pM       -83.085509
 2pP       -79.955345
 3sP       -15.036594
 3pM       -12.225409
 3pP       -11.726000
 3dM        -6.729876
 3dP        -6.638232
 4sP        -2.246301
 4pM        -1.486333
 4pP        -1.420252
 4dM        -0.378066
 4dP        -0.372852
 5sP        -0.374812
