Energy profile
0.00000 0.00000 -306.15570 0.00000
0.29023 0.04677 -306.15502 0.42577
0.60198 0.09701 -306.15405 1.03450
0.92089 0.14840 -306.15302 1.68137
1.23832 0.19956 -306.15236 2.09522
1.54303 0.24866 -306.15206 2.28490
1.85685 0.29923 -306.15215 2.22940
2.17823 0.35102 -306.15228 2.14495
2.48828 0.40099 -306.15240 2.06968
2.80075 0.45134 -306.15248 2.02234
3.08035 0.49640 -306.15254 1.98654
3.37342 0.54363 -306.15249 2.01286
3.69366 0.59524 -306.15279 1.82873
4.01119 0.64641 -306.15311 1.62898
4.33871 0.69919 -306.15355 1.35179
4.65625 0.75036 -306.15394 1.10268
4.95823 0.79903 -306.15441 0.81100
5.26414 0.84832 -306.15475 0.59447
5.56365 0.89659 -306.15486 0.52841
5.89546 0.95006 -306.15436 0.83883
6.20534 1.00000 -306.15546 0.15461
It can be seen that the -306.15570 column represents the change in energy in the transition state calculation, so what do the other columns mean? Does the first column correspond to the intrinsic reaction coordinate?
