Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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BLYP/6-31+G**
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1.00 | 1.10 | 1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.439 | 0.175 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.058 |
Highest value | NF3- | Nitrogen trifluoride anion | 2.231 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF | nitrogen fluoride | 1.355 | 1 | 2 |
NH2F | monofluoroamine | 1.475 | 1 | 2 |
NF2 | Difluoroamino radical | 1.397 | 1 | 2 |
1.397 | 1 | 3 | ||
NF2+ | Difluoroamino cation | 1.291 | 1 | 2 |
1.291 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.593 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.351 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.556 | 1 | 3 |
NHF2 | difluoramine | 1.447 | 1 | 3 |
1.447 | 1 | 4 | ||
NF3- | Nitrogen trifluoride anion | 1.470 | 1 | 2 |
1.470 | 1 | 3 | ||
2.231 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.428 | 1 | 2 |
1.428 | 1 | 3 | ||
1.428 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.328 | 1 | 2 |
1.328 | 1 | 3 | ||
1.328 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.560 | 1 | 2 |
N2F2 | Dinitrogen difluoride, (E)- | 1.435 | 3 | 4 |
1.435 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.443 | 3 | 4 |
1.443 | 1 | 2 | ||
NF3H+ | protonated nitrogen trifluoride | 1.058 | 1 | 2 |
1.360 | 1 | 3 | ||
1.360 | 1 | 4 | ||
F3NO | Nitrogen trifluoride oxide | 1.496 | 1 | 3 |
1.496 | 1 | 4 | ||
1.496 | 1 | 5 |