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| Rmean (Å) | R1–R2 (Å) | θmean (deg) | θ1–θ2 (deg) | –Eint (kcal/mol) | |
|---|---|---|---|---|---|
| Cl···O/O | 3.275 | 0.091 | 152.5 | 7.6 | 2.52 |
| Br···O/O | 3.292 | 0.118 | 155.3 | 7.8 | 3.22 |
| I···O/O | 3.332 | 0.196 | 156.6 | 10.2 | 4.52 |
| Cl···N/N | 3.196 | 0.100 | 154.7 | 6.7 | 4.50 |
| Br···N/N | 3.196 | 0.323 | 154.8 | 14.6 | 6.11 |
| I···N/N | 3.187 | 0.300 | 154.8 | 13.3 | 9.16 |
