 Etot  =   -11253.270114
 Ekin  =    12232.067055
 Ecoul =     4358.835185
 Eenuc =   -27621.511179
 Exc   =     -222.661175
 1sP     -1827.750098
 2sP      -302.241625
 2pM      -287.313685
 2pP      -262.027607
 3sP       -67.205191
 3pM       -60.678796
 3pP       -55.488882
 3dM       -44.134099
 3dP       -42.997269
 4sP       -13.702881
 4pM       -11.154891
 4pP        -9.992595
 4dM        -5.773459
 4dP        -5.562359
 4fM        -0.583979
 4fP        -0.556034
 5sP        -2.058401
 5pM        -1.352300
 5pP        -1.191272
 5dM        -0.325099
 5dP        -0.313548
 6sP        -0.349842
