# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -641.0474491730
        2.0000000000     -641.0638310630
        3.0000000000     -641.0650525590
        4.0000000000     -641.0652175900
        5.0000000000     -641.0652405560
        6.0000000000     -641.0652443080
        7.0000000000     -641.0652471800
        8.0000000000     -641.0652491810
        9.0000000000     -641.0652581270
       10.0000000000     -641.0652524230
       11.0000000000     -641.0652388790
       12.0000000000     -641.0652424490
       13.0000000000     -641.0652512940
       14.0000000000     -641.0602195010
       15.0000000000     -641.0652584110
       16.0000000000     -641.0652660880
       17.0000000000     -641.0648714630
       18.0000000000     -641.0652678880
       19.0000000000     -641.0649342030
       20.0000000000     -641.0652683080
       21.0000000000     -641.0652783070
       22.0000000000     -641.0652639490
       23.0000000000     -641.0652854750
       24.0000000000     -641.0652861950
       25.0000000000     -641.0652862630
       26.0000000000     -641.0652862790
       27.0000000000     -641.0652863040
       28.0000000000     -641.0652863490
       29.0000000000     -641.0652863580
       30.0000000000     -641.0652863580
