# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -641.0317081490
        2.0000000000     -641.0469093730
        3.0000000000     -641.0495346440
        4.0000000000     -641.0499122200
        5.0000000000     -641.0499398960
        6.0000000000     -641.0499495100
        7.0000000000     -641.0499517540
        8.0000000000     -641.0499527850
        9.0000000000     -641.0499533870
       10.0000000000     -641.0499538070
       11.0000000000     -641.0499542320
       12.0000000000     -641.0499549650
       13.0000000000     -641.0499556290
       14.0000000000     -641.0499559710
       15.0000000000     -641.0499560700
       16.0000000000     -641.0499561170
       17.0000000000     -641.0499561170
