Results for the 2015 edition of the Annual DFT Popularity Poll: 9. NMR shieldings, NMR couplings
| functional | love (++) | like (+) | neutral (0) | dislike (-) | hate (--) | #votes | points | average | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | BP86 | 3 | 3.9 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 4 | 5.3 % | 6 | 0.08 |
| 2 | PBE | 2 | 2.6 % | 2 | 2.6 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 6 | 7.9 % | 2 | 0.03 |
| 3 | PBE0 | 1 | 1.3 % | 2 | 2.6 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 4 | 5.3 % | 2 | 0.03 |
| 4 | PW91 | 1 | 1.3 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 3 | 3.9 % | 1 | 0.01 |
| 5 | SSB-D | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | 0 | 0.00 |
| 6 | BLYP | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | 3 | 3.9 % | -1 | -0.01 |
| 7 | B2PLYP | 1 | 1.3 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 4 | 5.3 % | -2 | -0.03 |
| 8 | B3PW91 | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -2 | -0.03 |
| 9 | HSE | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -2 | -0.03 |
| 10 | LDA | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 1 | 1.3 % | 4 | 5.3 % | -2 | -0.03 |
| 11 | M06-2X | 1 | 1.3 % | 2 | 2.6 % | 1 | 1.3 % | 1 | 1.3 % | 2 | 2.6 % | 7 | 9.2 % | -2 | -0.03 |
| 12 | S12g | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -2 | -0.03 |
| 13 | TPSSh | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -2 | -0.03 |
| 14 | wB97X-D | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | 0 | 0.0 % | 1 | 1.3 % | 4 | 5.3 % | -2 | -0.03 |
| 15 | APBE | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -3 | -0.04 |
| 16 | DSD-BLYP | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -3 | -0.04 |
| 17 | DSD-PBEP86 | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -3 | -0.04 |
| 18 | LB94 | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -3 | -0.04 |
| 19 | LC-PBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
| 20 | LC-wPBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
| 21 | M05-2X | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -3 | -0.04 |
| 22 | OLYP | 1 | 1.3 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 3 | 3.9 % | -3 | -0.04 |
| 23 | PW6B95 | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -3 | -0.04 |
| 24 | PWPB95-D3 | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -3 | -0.04 |
| 25 | RPA | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
| 26 | RPBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
| 27 | S12h | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
| 28 | SAOP | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
| 29 | mPW1K | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
| 30 | optB88-vdW | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 1 | 1.3 % | 2 | 2.6 % | -3 | -0.04 |
| 31 | revPBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
| 32 | revTPSS | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
| 33 | revTPSS-D | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
| 34 | tau-HCTH | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | -3 | -0.04 |
| 35 | B97-D | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | 1 | 1.3 % | 3 | 3.9 % | -4 | -0.05 |
| 36 | CAM-B3LYP | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | 0 | 0.0 % | 2 | 2.6 % | 4 | 5.3 % | -5 | -0.07 |
| 37 | M06 | 0 | 0.0 % | 1 | 1.3 % | 1 | 1.3 % | 0 | 0.0 % | 2 | 2.6 % | 4 | 5.3 % | -5 | -0.07 |
| 38 | BHandH | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 2 | 2.6 % | -6 | -0.08 |
| 39 | M05 | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 2 | 2.6 % | -6 | -0.08 |
| 40 | M06-L | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.3 % | 0 | 0.0 % | 2 | 2.6 % | 3 | 3.9 % | -6 | -0.08 |
| 41 | MN12L | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.6 % | 2 | 2.6 % | -6 | -0.08 |
| 42 | B3LYP | 1 | 1.3 % | 2 | 2.6 % | 1 | 1.3 % | 0 | 0.0 % | 4 | 5.3 % | 8 | 10.5 % | -7 | -0.09 |
| 43 | B3LYP-D | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 3 | 3.9 % | 3 | 3.9 % | -9 | -0.12 |
| 44 | B3LYPstar | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 4 | 5.3 % | 4 | 5.3 % | -12 | -0.16 |
| total number of participants: 76 | |||||||||||||||