Results from Table 2 illustrate that while interfragment distance has not significantly changed (6.89-6.95 Å), the orientation factor has decreased from ~49% to 0.06 % which led to significant reduction of the screened electronic coupling to 3.24 cm-1 which, in turn, reduced the EET rate by a factor of ~ 336 to 3.9×10-3ps-1. Thus, effects of mutual ordinations of donor and acceptor fragments can be explored with PyFREC using the methods described above.