# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -680.3092032990
        2.0000000000     -680.3289541770
        3.0000000000     -680.3316414680
        4.0000000000     -680.3323575600
        5.0000000000     -680.3327780970
        6.0000000000     -680.3332030880
        7.0000000000     -680.3338665640
        8.0000000000     -680.3345643090
        9.0000000000     -680.3348473130
       10.0000000000     -680.3350011390
       11.0000000000     -680.3350295560
       12.0000000000     -680.3350485350
       13.0000000000     -680.3350522280
       14.0000000000     -680.3350528990
       15.0000000000     -680.3350531030
       16.0000000000     -680.3350532520
       17.0000000000     -680.3350533440
       18.0000000000     -680.3350534110
       19.0000000000     -680.3350534380
       20.0000000000     -680.3350534380
