# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -393.5944953820
        2.0000000000     -393.6159900220
        3.0000000000     -393.6388860630
        4.0000000000     -393.6500859620
        5.0000000000     -393.6570588080
        6.0000000000     -393.6584281080
        7.0000000000     -393.6590796390
        8.0000000000     -393.6594784240
        9.0000000000     -393.6597716290
       10.0000000000     -393.6598504810
       11.0000000000     -393.6598608100
       12.0000000000     -393.6598781350
       13.0000000000     -393.6598821260
       14.0000000000     -393.6598839190
       15.0000000000     -393.6598842800
       16.0000000000     -393.6598842800
