# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -542.5541012170
        2.0000000000     -542.5920486530
        3.0000000000     -542.6039730250
        4.0000000000     -542.6069239350
        5.0000000000     -542.6085214330
        6.0000000000     -542.6088467390
        7.0000000000     -542.6089960200
        8.0000000000     -542.6091288720
        9.0000000000     -542.6091799270
       10.0000000000     -542.6092112610
       11.0000000000     -542.6092228820
       12.0000000000     -542.6092251440
       13.0000000000     -542.6092255570
       14.0000000000     -542.6092255570
