# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -680.2900787360
        2.0000000000     -680.3200040270
        3.0000000000     -680.3299694310
        4.0000000000     -680.3321655950
        5.0000000000     -680.3330507640
        6.0000000000     -680.3333868760
        7.0000000000     -680.3339803830
        8.0000000000     -680.3344438130
        9.0000000000     -680.3348332650
       10.0000000000     -680.3349885500
       11.0000000000     -680.3350269970
       12.0000000000     -680.3350485660
       13.0000000000     -680.3350523930
       14.0000000000     -680.3350532410
       15.0000000000     -680.3350534020
       16.0000000000     -680.3350534020
