# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -359.0572311630
        2.0000000000     -359.0638673790
        3.0000000000     -359.0647009440
        4.0000000000     -359.0656923060
        5.0000000000     -359.0664368210
        6.0000000000     -359.0671379910
        7.0000000000     -359.0676344960
        8.0000000000     -359.0678019170
        9.0000000000     -359.0678695240
       10.0000000000     -359.0678970800
       11.0000000000     -359.0679117300
       12.0000000000     -359.0679145930
       13.0000000000     -359.0679156720
       14.0000000000     -359.0679159140
       15.0000000000     -359.0679160940
       16.0000000000     -359.0679161250
       17.0000000000     -359.0679161290
       18.0000000000     -359.0679161290
