In the case of the five molecules we used the CASSCF(30,30) optimized orbitals from our previous work. The MOs for the stack of ten fragments were generated by repeating the MO coefficients of the five fragments along the diagonal to form a block-diagonal coefficient matrix of two blocks. MOs inside each block were still orthogonal to each other, but there was small overlap between MOs of different blocks, hence a Gram-Schmidt orthonormalization was applied. This implies that the CAS (30,30) is at the energetic minimum with respect to orbital rotations, while the CAS(60,60) is only close to it. Hence, the relevance of interfragment single excitations, recovering orbital rotations, is enhanced for the CAS(60,60).