# Total Energy
# Total Energy (Hartree) vs Optimization Step Number
#                  X                   Y
        1.0000000000     -358.9487818350
        2.0000000000     -358.9987593150
        3.0000000000     -359.0162031320
        4.0000000000     -359.0211499730
        5.0000000000     -359.0217725310
        6.0000000000     -359.0219757200
        7.0000000000     -359.0221341030
        8.0000000000     -359.0223121450
        9.0000000000     -359.0224956110
       10.0000000000     -359.0226061990
       11.0000000000     -359.0225980370
       12.0000000000     -359.0226364060
       13.0000000000     -359.0226390390
       14.0000000000     -359.0226399140
       15.0000000000     -359.0226402270
       16.0000000000     -359.0226402270
