Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/cc-pVTZ
25 | ||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.00 | 1.20 | 1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.398 | 0.177 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.049 |
Highest value | NF3- | Nitrogen trifluoride anion | 2.254 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF- | nitrogen monofluorine anion | 1.404 | 1 | 2 |
NF | nitrogen fluoride | 1.318 | 1 | 2 |
NF+ | nitrogen monofluoirde cation | 1.227 | 1 | 2 |
NH2F | monofluoroamine | 1.443 | 1 | 2 |
NF2 | Difluoroamino radical | 1.352 | 1 | 2 |
1.352 | 1 | 3 | ||
NF2+ | Difluoroamino cation | 1.283 | 1 | 2 |
1.283 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.557 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.316 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.484 | 1 | 3 |
NHF2 | difluoramine | 1.416 | 1 | 3 |
1.416 | 1 | 4 | ||
NF3- | Nitrogen trifluoride anion | 1.438 | 1 | 2 |
1.438 | 1 | 3 | ||
2.254 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.398 | 1 | 2 |
1.398 | 1 | 3 | ||
1.398 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.299 | 1 | 2 |
1.299 | 1 | 3 | ||
1.299 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.522 | 1 | 2 |
N2F2 | Dinitrogen difluoride, (E)- | 1.360 | 3 | 4 |
1.360 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.377 | 3 | 4 |
1.377 | 1 | 2 | ||
NF3H+ | protonated nitrogen trifluoride | 1.049 | 1 | 2 |
1.333 | 1 | 3 | ||
1.333 | 1 | 4 | ||
F3NO | Nitrogen trifluoride oxide | 1.450 | 1 | 3 |
1.450 | 1 | 4 | ||
1.450 | 1 | 5 |