# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -378.0924298570
        2.0000000000     -378.1325287530
        3.0000000000     -378.1726216840
        4.0000000000     -378.1744251700
        5.0000000000     -378.1827674760
        6.0000000000     -378.1858800670
        7.0000000000     -378.1852913710
        8.0000000000     -378.1867935730
        9.0000000000     -378.1882425820
       10.0000000000     -378.1899138430
       11.0000000000     -378.1899728740
       12.0000000000     -378.1903473200
       13.0000000000     -378.1905397400
       14.0000000000     -378.1908281250
       15.0000000000     -378.1909926040
       16.0000000000     -378.1914949410
       17.0000000000     -378.1924264660
       18.0000000000     -377.9985361520
       19.0000000000     -377.7016128570
       20.0000000000     -377.7420033340
       21.0000000000     -377.7818518610
       22.0000000000     -377.8216709240
       23.0000000000     -377.8581663200
       24.0000000000     -377.8934906260
       25.0000000000     -377.9240220540
       26.0000000000     -377.9512226330
       27.0000000000     -377.9761401090
       28.0000000000     -377.9990530640
       29.0000000000     -378.0200273870
       30.0000000000     -378.0392722660
       31.0000000000     -378.0569218690
       32.0000000000     -378.0730637690
       33.0000000000     -378.0877820310
       34.0000000000     -378.1011555000
       35.0000000000     -378.1132487400
       36.0000000000     -378.1241279890
       37.0000000000     -378.1338648650
       38.0000000000     -378.1425423160
       39.0000000000     -378.1502432780
       40.0000000000     -378.1570455010
       41.0000000000     -378.1630171700
       42.0000000000     -378.1682091000
       43.0000000000     -378.1726571130
       44.0000000000     -378.1763950260
       45.0000000000     -378.1794529310
       46.0000000000     -378.1818508580
       47.0000000000     -378.1836885010
       48.0000000000     -378.1852484020
       49.0000000000     -378.1861002720
       50.0000000000     -378.1868161350
       51.0000000000     -378.1876158240
       52.0000000000     -378.1884573700
       53.0000000000     -378.1882379540
       54.0000000000     -378.1898173500
       55.0000000000     -378.1898043040
       56.0000000000     -378.1911657900
       57.0000000000     -378.1913550650
