# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -641.0539527800
        2.0000000000     -641.0678329810
        3.0000000000     -641.0687408580
        4.0000000000     -641.0688347730
        5.0000000000     -641.0688667760
        6.0000000000     -641.0689070000
        7.0000000000     -641.0689426900
        8.0000000000     -641.0689793490
        9.0000000000     -641.0691859830
       10.0000000000     -641.0693934200
       11.0000000000     -641.0697720770
       12.0000000000     -641.0699265160
       13.0000000000     -641.0703353150
       14.0000000000     -641.0704685820
       15.0000000000     -641.0705014870
       16.0000000000     -641.0705076190
       17.0000000000     -641.0705098430
       18.0000000000     -641.0705108200
       19.0000000000     -641.0705110360
       20.0000000000     -641.0705111260
       21.0000000000     -641.0705111260
