Relaxation of high-energy complex PhBr_8a (PhBr+HBr3+Br2)

Geometry optimization by DFT/PBE/L1 (PRIRODA program, basis like cc-pVDZ),

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-22.47 -22.47 -20.40 -20.40 -18.85 -18.85 -17.11 -17.11 -10.68 -10.68 -9.04 -9.04 -8.49 -8.49 -8.25 -8.25 -8.24 -8.24 -7.70 -7.70 -7.28 -7.28 -7.02 -7.02 -6.95 -6.95 -4.47 -4.47 -4.03 -4.03 -3.89 -3.89 -3.35 -3.35 -3.14 -3.14 -2.35 -2.35 0.74 0.74 1.07 1.07