# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -472.3067327210
        2.0000000000     -472.3142973930
        3.0000000000     -472.3148733100
        4.0000000000     -472.3145130600
        5.0000000000     -472.3149473210
        6.0000000000     -472.3153225030
        7.0000000000     -472.3157309670
        8.0000000000     -472.3160864590
        9.0000000000     -472.3167284610
       10.0000000000     -472.3172698710
       11.0000000000     -472.3174681560
       12.0000000000     -472.3176155390
       13.0000000000     -472.3176383290
       14.0000000000     -472.3176502540
       15.0000000000     -472.3176504400
       16.0000000000     -472.3176511670
       17.0000000000     -472.3176512410
       18.0000000000     -472.3176512410
