# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -378.2411303390
        2.0000000000     -378.2416579630
        3.0000000000     -378.2410606800
        4.0000000000     -378.2419650100
        5.0000000000     -378.2421477670
        6.0000000000     -378.2421999210
        7.0000000000     -378.2422546230
        8.0000000000     -378.2422642150
        9.0000000000     -378.2422712380
       10.0000000000     -378.2422797550
       11.0000000000     -378.2423053340
       12.0000000000     -378.2423021880
       13.0000000000     -378.2409930730
       14.0000000000     -378.2423238580
       15.0000000000     -378.2423392700
       16.0000000000     -378.2423716400
       17.0000000000     -378.2423971530
       18.0000000000     -378.2424370640
       19.0000000000     -378.2425443200
       20.0000000000     -378.2425969040
       21.0000000000     -378.2426204430
       22.0000000000     -378.2426216950
       23.0000000000     -378.2426302630
       24.0000000000     -378.2426313840
       25.0000000000     -378.2426332450
       26.0000000000     -378.2426338610
       27.0000000000     -378.2426341130
       28.0000000000     -378.2426341020
       29.0000000000     -378.2426341020
