# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -472.3275733830
        2.0000000000     -472.3508736110
        3.0000000000     -472.3616355520
        4.0000000000     -472.3656093150
        5.0000000000     -472.3670559400
        6.0000000000     -472.3677740030
        7.0000000000     -472.3679458840
        8.0000000000     -472.3680322650
        9.0000000000     -472.3680489390
       10.0000000000     -472.3680564520
       11.0000000000     -472.3680610520
       12.0000000000     -472.3680637930
       13.0000000000     -472.3680652960
       14.0000000000     -472.3680655980
       15.0000000000     -472.3680656590
       16.0000000000     -472.3680657200
       17.0000000000     -472.3680657830
       18.0000000000     -472.3680658250
       19.0000000000     -472.3680658200
       20.0000000000     -472.3680658200
