FMO-MO (Molecular orbitals (MOs) of the fragment MO (FMO) method) for (−)-epicatechin gallate were calculated to examine the dependency of the accuracy on the fragmentation patterns and on the basis set, and the results were compared to those obtained using conventional MO calculations. Results also show that the FMO-MO can be used as the initial guess in self-consistent field calculations.
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