# Total Energy along IRC
# X-Axis:  Intrinsic Reaction Coordinate
# Y-Axis:  Total Energy (Hartree)
#                  X                   Y
       -0.9963600000       -1.6726094407
       -0.8963800000       -1.6718124265
       -0.7964000000       -1.6709520923
       -0.6964300000       -1.6700401511
       -0.5964500000       -1.6690892664
       -0.4964900000       -1.6681084876
       -0.3966300000       -1.6671591023
       -0.2966600000       -1.6662517883
       -0.1971200000       -1.6654730292
       -0.0984300000       -1.6649067559
        0.0000000000       -1.6646910646
        0.0983300000       -1.6649064031
        0.1969900000       -1.6654725156
        0.2965300000       -1.6662511000
        0.3965000000       -1.6671583745
        0.4963600000       -1.6681077129
        0.5963200000       -1.6690885117
        0.6963000000       -1.6700394197
        0.7962700000       -1.6709513992
        0.8962500000       -1.6718117781
        0.9962300000       -1.6726088420