# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -641.0057339120
        2.0000000000     -641.0334936570
        3.0000000000     -641.0411034880
        4.0000000000     -641.0430088670
        5.0000000000     -641.0438626990
        6.0000000000     -641.0435924180
        7.0000000000     -641.0441405060
        8.0000000000     -641.0443702310
        9.0000000000     -641.0444357680
       10.0000000000     -641.0444778280
       11.0000000000     -641.0444859650
       12.0000000000     -641.0444871190
       13.0000000000     -641.0444875580
       14.0000000000     -641.0444875580
