# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -640.9982174930
        2.0000000000     -641.0289374790
        3.0000000000     -641.0333305370
        4.0000000000     -641.0336829020
        5.0000000000     -641.0337486460
        6.0000000000     -641.0337697240
        7.0000000000     -641.0337772950
        8.0000000000     -641.0337850240
        9.0000000000     -641.0337870610
       10.0000000000     -641.0337878150
       11.0000000000     -641.0337880460
       12.0000000000     -641.0337880460
