# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -680.2811721880
        2.0000000000     -680.3225560280
        3.0000000000     -680.3349486150
        4.0000000000     -680.3362055050
        5.0000000000     -680.3363806920
        6.0000000000     -680.3363979470
        7.0000000000     -680.3364547100
        8.0000000000     -680.3364772280
        9.0000000000     -680.3364880000
       10.0000000000     -680.3364907520
       11.0000000000     -680.3364921250
       12.0000000000     -680.3364926020
       13.0000000000     -680.3364927800
       14.0000000000     -680.3364929050
       15.0000000000     -680.3364929560
       16.0000000000     -680.3364929560
