# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -641.0558178700
        2.0000000000     -641.0682004040
        3.0000000000     -641.0690411430
        4.0000000000     -641.0691313890
        5.0000000000     -641.0691416910
        6.0000000000     -641.0691461390
        7.0000000000     -641.0691490990
        8.0000000000     -641.0691569150
        9.0000000000     -641.0691626280
       10.0000000000     -641.0691711610
       11.0000000000     -641.0691877570
       12.0000000000     -641.0691785120
       13.0000000000     -641.0681952830
       14.0000000000     -641.0691974710
       15.0000000000     -641.0692237970
       16.0000000000     -641.0692611560
       17.0000000000     -641.0692776060
       18.0000000000     -641.0693041480
       19.0000000000     -641.0693010380
       20.0000000000     -641.0693242410
       21.0000000000     -641.0693406200
       22.0000000000     -641.0693452880
       23.0000000000     -641.0693534190
       24.0000000000     -641.0693612160
       25.0000000000     -641.0693619580
       26.0000000000     -641.0693627750
       27.0000000000     -641.0693628360
       28.0000000000     -641.0693628550
       29.0000000000     -641.0693628550
