Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP3=FULL/6-31G(2df,p)
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.00 | 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.305 | 0.108 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.037 |
Highest value | FNO2 | Nitryl fluoride | 1.388 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
CNF | iso cyanogen fluoride | 1.287 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.374 | 1 | 3 |
NHF2 | difluoramine | 1.373 | 1 | 3 |
1.373 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.388 | 1 | 2 |
NF3H+ | protonated nitrogen trifluoride | 1.037 | 1 | 2 |
1.303 | 1 | 3 | ||
1.303 | 1 | 4 |