# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -542.5778073990
        2.0000000000     -542.6206627120
        3.0000000000     -542.6377572710
        4.0000000000     -542.6388891980
        5.0000000000     -542.6390015360
        6.0000000000     -542.6390084810
        7.0000000000     -542.6390114730
        8.0000000000     -542.6390153780
        9.0000000000     -542.6390153780
