# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -680.2805034760
        2.0000000000     -680.3215607220
        3.0000000000     -680.3315415040
        4.0000000000     -680.3323344670
        5.0000000000     -680.3324533220
        6.0000000000     -680.3324543530
        7.0000000000     -680.3324648840
        8.0000000000     -680.3324731790
        9.0000000000     -680.3324763010
       10.0000000000     -680.3324771910
       11.0000000000     -680.3324772830
       12.0000000000     -680.3324773130
       13.0000000000     -680.3324773130
