# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -542.5119894640
        2.0000000000     -542.5529069000
        3.0000000000     -542.5631414410
        4.0000000000     -542.5643576990
        5.0000000000     -542.5645325490
        6.0000000000     -542.5645601620
        7.0000000000     -542.5645593810
        8.0000000000     -542.5645668100
        9.0000000000     -542.5645691950
       10.0000000000     -542.5645702870
       11.0000000000     -542.5645708240
       12.0000000000     -542.5645710840
       13.0000000000     -542.5645710840
