# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -542.5540962070
        2.0000000000     -542.5920463900
        3.0000000000     -542.6039723380
        4.0000000000     -542.6069237050
        5.0000000000     -542.6085212910
        6.0000000000     -542.6088467430
        7.0000000000     -542.6089959760
        8.0000000000     -542.6091288350
        9.0000000000     -542.6091798570
       10.0000000000     -542.6092112480
       11.0000000000     -542.6092228840
       12.0000000000     -542.6092251470
       13.0000000000     -542.6092255570
       14.0000000000     -542.6092255570
