From the information about the energy that was previously displayed. Make our analysis of whether, in the second step of the reaction occurred. Energy use in this step will be much higher than in the one that corresponds to me from the calculation of transition state structure, that is, to find out your individual reaction TS2. We find it quite difficult to adjust perfect structure. In order to keep the reaction going in the direction we want. So there must be some special commands to use in the calculation. However, the energy shown in table 10, it will be seen that.
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