Results for the 2016 edition of the Annual DFT Popularity Poll: 9. NMR shieldings, NMR couplings
| functional | love (++) | like (+) | neutral (0) | dislike (-) | hate (--) | #votes | points | average | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | PBE | 3 | 3.0 % | 2 | 2.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 6 | 6.1 % | 11 | 0.11 |
| 2 | PBE0 | 3 | 3.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.0 % | 0 | 0.0 % | 5 | 5.1 % | 9 | 0.09 |
| 3 | LDA | 2 | 2.0 % | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 4 | 4.0 % | 6 | 0.06 |
| 4 | M06-2X | 2 | 2.0 % | 0 | 0.0 % | 3 | 3.0 % | 0 | 0.0 % | 0 | 0.0 % | 5 | 5.1 % | 6 | 0.06 |
| 5 | SAOP | 2 | 2.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 6 | 0.06 |
| 6 | TPSSh | 2 | 2.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.0 % | 0 | 0.0 % | 4 | 4.0 % | 6 | 0.06 |
| 7 | MVS | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 4 | 0.04 |
| 8 | OLYP | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 4 | 0.04 |
| 9 | S12g | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 4 | 0.04 |
| 10 | LC-wPBE | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 3 | 0.03 |
| 11 | PW91 | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 3 | 0.03 |
| 12 | SSB-D | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 3 | 0.03 |
| 13 | B2PLYP | 2 | 2.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 4 | 4.0 % | 2 | 0.02 |
| 14 | S12h | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 2 | 2.0 % | 2 | 0.02 |
| 15 | DSD-BLYP | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 1 | 0.01 |
| 16 | DSD-PBEP86 | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 1 | 0.01 |
| 17 | PWPB95-D3 | 0 | 0.0 % | 1 | 1.0 % | 2 | 2.0 % | 0 | 0.0 % | 0 | 0.0 % | 3 | 3.0 % | 1 | 0.01 |
| 18 | B97-D | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.00 |
| 19 | BLYP | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 4 | 4.0 % | 0 | 0.00 |
| 20 | HSE | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
| 21 | LB94 | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
| 22 | LC-PBE | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.0 % | 0 | 0.00 |
| 23 | M06 | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 3 | 3.0 % | 0 | 0.00 |
| 24 | mPW1K | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
| 25 | optB88-vdW | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
| 26 | PW6B95 | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.00 |
| 27 | revPBE | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.0 % | 0 | 0.0 % | 2 | 2.0 % | 0 | 0.00 |
| 28 | revTPSS-D | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
| 29 | RPBE | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
| 30 | SCAN | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.00 |
| 31 | revTPSS | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 2 | 2.0 % | -1 | -0.01 |
| 32 | RPA | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 2 | 2.0 % | -1 | -0.01 |
| 33 | wB97X-D | 0 | 0.0 % | 1 | 1.0 % | 3 | 3.0 % | 0 | 0.0 % | 1 | 1.0 % | 5 | 5.1 % | -2 | -0.02 |
| 34 | B3LYP | 0 | 0.0 % | 7 | 7.1 % | 1 | 1.0 % | 3 | 3.0 % | 2 | 2.0 % | 13 | 13.1 % | -2 | -0.02 |
| 35 | B3PW91 | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 3 | 3.0 % | -2 | -0.02 |
| 36 | CAM-B3LYP | 0 | 0.0 % | 1 | 1.0 % | 2 | 2.0 % | 0 | 0.0 % | 1 | 1.0 % | 4 | 4.0 % | -2 | -0.02 |
| 37 | M06-L | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 3 | 3.0 % | -2 | -0.02 |
| 38 | APBE | 0 | 0.0 % | 1 | 1.0 % | 1 | 1.0 % | 1 | 1.0 % | 1 | 1.0 % | 4 | 4.0 % | -3 | -0.03 |
| 39 | BP86 | 1 | 1.0 % | 0 | 0.0 % | 0 | 0.0 % | 3 | 3.0 % | 1 | 1.0 % | 5 | 5.1 % | -3 | -0.03 |
| 40 | MN12L | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 1 | 1.0 % | 2 | 2.0 % | -3 | -0.03 |
| 41 | B3LYP-D | 0 | 0.0 % | 1 | 1.0 % | 2 | 2.0 % | 2 | 2.0 % | 1 | 1.0 % | 6 | 6.1 % | -4 | -0.04 |
| 42 | BHandH | 0 | 0.0 % | 0 | 0.0 % | 1 | 1.0 % | 0 | 0.0 % | 2 | 2.0 % | 3 | 3.0 % | -6 | -0.06 |
| total number of participants: 99 | |||||||||||||||