# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -641.0096092390
        2.0000000000     -641.0350727400
        3.0000000000     -641.0404864670
        4.0000000000     -641.0418600440
        5.0000000000     -641.0430518940
        6.0000000000     -641.0431007220
        7.0000000000     -641.0441749760
        8.0000000000     -641.0442719410
        9.0000000000     -641.0444558260
       10.0000000000     -641.0444682600
       11.0000000000     -641.0444725570
       12.0000000000     -641.0444733050
       13.0000000000     -641.0444735220
       14.0000000000     -641.0444735220
