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(a) Mulliken charges of the dizwitterionic VB structure, C–H+---–HC+ (Φ8) calculated at the VB geometry without MBD optimization. (b) Mulliken charges of the same structure calculated at the geometry optimized with MBD correction. (c) The Löwdin charges of the same VB structure calculated at the geometry optimized with MBD correction. All charges correspond to the dimer (1).
