Table 8. Calculated MAD and RMSD for the Three Models in Neutral and Ionic State.
| DSDPBEP86 | M062X-D3 | PBE0-D3 | |
|---|---|---|---|
| Neutral state | |||
| MAD | 0.2036 | 0.3376 | 0.2355 |
| RMSD | 0.2242 | 0.3729 | 0.2728 |
| Ionic state | |||
| MAD | 0.2524 | 0.2582 | 0.2557 |
| RMSD | 0.3001 | 0.3068 | 0.3110 |
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