I have one reaction as follows which I am studying using gaussian 16.
reaction complex (RC)---> Intermediate (I1)--------> Transition state (TS1)-------> Product (P1).
The relative energy of TS1 with respect to (wrt) the RC is -93.0 kcal/mol, while wrt intermediate is ~14 kcal/mol (see the attached figure). I want to write the Eyring rate equation for my system ( https://en.wikipedia.org/wiki/Eyring_equation ).
My question is which enthalpy and entropy should I use: those calculated wrt RC or those calculated wrt intermediate.
Thank you in advance.
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