Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B97D3/6-31+G**
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 |
---|---|
1.407 | 0.179 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.052 |
Highest value | NF3- | Nitrogen trifluoride anion | 2.268 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF- | nitrogen monofluorine anion | 1.399 | 1 | 2 |
NF | nitrogen fluoride | 1.326 | 1 | 2 |
NF+ | nitrogen monofluoirde cation | 1.234 | 1 | 2 |
NH2F | monofluoroamine | 1.453 | 1 | 2 |
NF2 | Difluoroamino radical | 1.358 | 1 | 2 |
1.358 | 1 | 3 | ||
NF2+ | Difluoroamino cation | 1.290 | 1 | 2 |
1.290 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.571 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.330 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.519 | 1 | 3 |
NHF2 | difluoramine | 1.426 | 1 | 3 |
1.426 | 1 | 4 | ||
NF3- | Nitrogen trifluoride anion | 1.442 | 1 | 2 |
1.442 | 1 | 3 | ||
2.268 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.408 | 1 | 2 |
1.408 | 1 | 3 | ||
1.408 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.309 | 1 | 2 |
1.309 | 1 | 3 | ||
1.309 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.536 | 1 | 2 |
N2F2 | Dinitrogen difluoride, (E)- | 1.365 | 3 | 4 |
1.365 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.383 | 3 | 4 |
1.383 | 1 | 2 | ||
NF3H+ | protonated nitrogen trifluoride | 1.052 | 1 | 2 |
1.342 | 1 | 3 | ||
1.342 | 1 | 4 | ||
F3NO | Nitrogen trifluoride oxide | 1.458 | 1 | 3 |
1.458 | 1 | 4 | ||
1.458 | 1 | 5 |