| 方法 | d | b | d-b | r |
| HF | 0.289 | 0.032 | 0.257 | −0.525 |
| MP2 CDA | 0.267 | 0.036 | 0.231 | −0.530 |
| MP2 GCDA | 0.281 | 0.026 | 0.255 | −0.559 |
| CCSD CDA | 0.251 | 0.034 | 0.217 | −0.526 |
| CCSD GCDA | 0.253 | 0.025 | 0.228 | −0.531 |
| BLYP (0%) | 0.388 | 0.066 | 0.322 | −0.562 |
| PBEPBE (0%) | 0.384 | 0.067 | 0.317 | −0.562 |
| B3LYP (20%) | 0.369 | 0.060 | 0.309 | −0.544 |
| PBE0 (25%) | 0.360 | 0.054 | 0.307 | −0.553 |
| BH&LYP (50%) | 0.341 | 0.048 | 0.293 | −0.535 |
| M06-2X (54%) | 0.329 | 0.039 | 0.290 | −0.555 |
| wB97XD (22.2%/100%) | 0.357 | 0.049 | 0.308 | −0.538 |
| M06-HF (100%) | 0.356 | 0.031 | 0.324 | −0.595 |