# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -680.2201547360
        2.0000000000     -680.2596363070
        3.0000000000     -680.2806335780
        4.0000000000     -680.2835854240
        5.0000000000     -680.2840162680
        6.0000000000     -680.2841846460
        7.0000000000     -680.2842022660
        8.0000000000     -680.2842673920
        9.0000000000     -680.2842810780
       10.0000000000     -680.2842836670
       11.0000000000     -680.2842846900
       12.0000000000     -680.2842851820
       13.0000000000     -680.2842859710
       14.0000000000     -680.2842869730
       15.0000000000     -680.2842877640
       16.0000000000     -680.2842880000
       17.0000000000     -680.2842880650
       18.0000000000     -680.2842880650
