Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HSEh1PBE/6-31G*
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1.00 | 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.368 | 0.113 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.043 |
Highest value | NF3- | Nitrogen trifluoride anion | 1.612 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF- | nitrogen monofluorine anion | 1.493 | 1 | 2 |
NF | nitrogen fluoride | 1.311 | 1 | 2 |
NF+ | nitrogen monofluoirde cation | 1.188 | 1 | 2 |
NH2F | monofluoroamine | 1.413 | 1 | 2 |
NF2 | Difluoroamino radical | 1.345 | 1 | 2 |
1.345 | 1 | 3 | ||
NF2+ | Difluoroamino cation | 1.247 | 1 | 2 |
1.247 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.460 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.302 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.398 | 1 | 3 |
NHF2 | difluoramine | 1.388 | 1 | 3 |
1.388 | 1 | 4 | ||
NF3- | Nitrogen trifluoride anion | 1.612 | 1 | 2 |
1.612 | 1 | 3 | ||
1.612 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.368 | 1 | 2 |
1.368 | 1 | 3 | ||
1.368 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.283 | 1 | 2 |
1.283 | 1 | 3 | ||
1.283 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.432 | 1 | 2 |
N2F2 | Dinitrogen difluoride, (E)- | 1.370 | 3 | 4 |
1.370 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.373 | 3 | 4 |
1.373 | 1 | 2 | ||
NF3H+ | protonated nitrogen trifluoride | 1.043 | 1 | 2 |
1.316 | 1 | 3 | ||
1.316 | 1 | 4 | ||
F3NO | Nitrogen trifluoride oxide | 1.415 | 1 | 3 |
1.415 | 1 | 4 | ||
1.415 | 1 | 5 |