# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -641.0126723170
        2.0000000000     -641.0381541520
        3.0000000000     -641.0425529120
        4.0000000000     -641.0430499130
        5.0000000000     -641.0430691580
        6.0000000000     -641.0430864370
        7.0000000000     -641.0431208160
        8.0000000000     -641.0431251410
        9.0000000000     -641.0431301720
       10.0000000000     -641.0431317700
       11.0000000000     -641.0431322450
       12.0000000000     -641.0431324540
       13.0000000000     -641.0431324540
