# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -641.0246674250
        2.0000000000     -641.0606828340
        3.0000000000     -641.0684952840
        4.0000000000     -641.0691107510
        5.0000000000     -641.0691735030
        6.0000000000     -641.0691739270
        7.0000000000     -641.0691851010
        8.0000000000     -641.0691868320
        9.0000000000     -641.0691886830
       10.0000000000     -641.0691898730
       11.0000000000     -641.0691917640
       12.0000000000     -641.0691940640
       13.0000000000     -641.0691955540
       14.0000000000     -641.0691958470
       15.0000000000     -641.0691960160
       16.0000000000     -641.0691960890
       17.0000000000     -641.0691961080
       18.0000000000     -641.0691961080
