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| Species | γ(QTAIM) | γ(NBO) | γ(Hirshfeld) | γ(Mulliken) |
| 16 | 10.35 | 9.56 | 11.33 | 10.44 |
| CH2NN | 10 | 9.91 | 9.78 | 9.56 |
| XeO4 | 9.72 | 8.98 | 14.42 | 12.49 |
| O3 | 9.52 | 9.35 | 9.56 | 9.43 |
| SCl4 | 8.33 | 8.46 | 8.98 | 8.81 |
| MeNO2 | 8.13 | 8.41 | 9.13 | 8.74 |
| Cl3– | 8.04 | 8.10 | 8.22 | 8.08 |
| KrF2 | 7.99 | 7.94 | 9.12 | 8.34 |
| ICl4– | 7.72 | 7.79 | 9.47 | 8.58 |
| SO2 | 5.25 | 6.80 | 9.05 | 8.12 |
| SO3 | 4.85 | 7.13 | 10.69 | 9.17 |
| SO42– | 4.34 | 6.78 | 11.53 | 9.39 |
| PF6– | 2.30 | 4.40 | 8.96 | 6.90 |
| RMS | 0.426 | 0.494 | 0.918 | 0.990 |
