# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -284.6586868110
        2.0000000000     -284.6719713940
        3.0000000000     -284.6880364650
        4.0000000000     -284.6956301720
        5.0000000000     -284.7020915200
        6.0000000000     -284.7040788870
        7.0000000000     -284.7047318260
        8.0000000000     -284.7050530380
        9.0000000000     -284.7051779150
       10.0000000000     -284.7052077860
       11.0000000000     -284.7052161570
       12.0000000000     -284.7052194090
       13.0000000000     -284.7052224700
       14.0000000000     -284.7052236810
       15.0000000000     -284.7052238630
       16.0000000000     -284.7052240140
       17.0000000000     -284.7052240860
       18.0000000000     -284.7052240860
