# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -641.0189048330
        2.0000000000     -641.0405971500
        3.0000000000     -641.0434750910
        4.0000000000     -641.0440385230
        5.0000000000     -641.0442834100
        6.0000000000     -641.0443836690
        7.0000000000     -641.0444553490
        8.0000000000     -641.0444808170
        9.0000000000     -641.0444865280
       10.0000000000     -641.0444875910
       11.0000000000     -641.0444879070
       12.0000000000     -641.0444879070
