# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -640.9731596580
        2.0000000000     -641.0069632640
        3.0000000000     -641.0128366970
        4.0000000000     -641.0133795080
        5.0000000000     -641.0135589730
        6.0000000000     -641.0136022190
        7.0000000000     -641.0136176180
        8.0000000000     -641.0136277980
        9.0000000000     -641.0136303870
       10.0000000000     -641.0136314610
       11.0000000000     -641.0136317520
       12.0000000000     -641.0136319540
       13.0000000000     -641.0136321210
       14.0000000000     -641.0136321210
