# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -377.8747417550
        2.0000000000     -377.9384557750
        3.0000000000     -378.0200672870
        4.0000000000     -378.0932632440
        5.0000000000     -378.1476968970
        6.0000000000     -378.1753615420
        7.0000000000     -378.1962787340
        8.0000000000     -378.2112650400
        9.0000000000     -378.2167108990
       10.0000000000     -378.2172585860
       11.0000000000     -378.2182676740
       12.0000000000     -378.2185882160
       13.0000000000     -378.2199421480
       14.0000000000     -378.2127269270
       15.0000000000     -378.2201103520
       16.0000000000     -378.2217592620
       17.0000000000     -378.2225357980
       18.0000000000     -378.2225976520
       19.0000000000     -378.2240178390
       20.0000000000     -378.1444594070
       21.0000000000     -378.1587391710
       22.0000000000     -378.1718974130
       23.0000000000     -378.1839177550
       24.0000000000     -378.1947301690
       25.0000000000     -378.2042041730
       26.0000000000     -378.2121997790
       27.0000000000     -378.2185806650
       28.0000000000     -378.2240371970
       29.0000000000     -378.2252517390
       30.0000000000     -378.2039208300
       31.0000000000     -378.2122898680
       32.0000000000     -378.2189162450
       33.0000000000     -378.2236988420
       34.0000000000     -378.2264324820
       35.0000000000     -378.2276736600
       36.0000000000     -378.2296498070
       37.0000000000     -378.2308340480
       38.0000000000     -378.2361739100
       39.0000000000     -378.1701793200
       40.0000000000     -378.2376708340
       41.0000000000     -378.2394519160
       42.0000000000     -378.1976521440
       43.0000000000     -378.2395945060
