# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -640.9766072870
        2.0000000000     -641.0278271270
        3.0000000000     -641.0420359020
        4.0000000000     -641.0442055480
        5.0000000000     -641.0444071690
        6.0000000000     -641.0444490510
        7.0000000000     -641.0444862600
        8.0000000000     -641.0444873620
        9.0000000000     -641.0444876060
       10.0000000000     -641.0444877570
       11.0000000000     -641.0444878900
       12.0000000000     -641.0444880480
       13.0000000000     -641.0444881070
       14.0000000000     -641.0444881090
       15.0000000000     -641.0444881090
