Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HF/6-31G
20 | |||||||||||||||||||||||||||||||||||||
15 | |||||||||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.00 | 1.10 | 1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.385 | 0.135 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.024 |
Highest value | NF3- | Nitrogen trifluoride anion | 1.984 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF | nitrogen fluoride | 1.370 | 1 | 2 |
NH2F | monofluoroamine | 1.433 | 1 | 2 |
NF2 | Difluoroamino radical | 1.375 | 1 | 2 |
1.375 | 1 | 3 | ||
NF2+ | Difluoroamino cation | 1.262 | 1 | 2 |
1.262 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.459 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.319 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.405 | 1 | 3 |
NHF2 | difluoramine | 1.403 | 1 | 3 |
1.403 | 1 | 4 | ||
NF3- | Nitrogen trifluoride anion | 1.446 | 1 | 2 |
1.446 | 1 | 3 | ||
1.984 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.380 | 1 | 2 |
1.380 | 1 | 3 | ||
1.380 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.311 | 1 | 2 |
1.311 | 1 | 3 | ||
1.311 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.401 | 1 | 2 |
N2F2 | Dinitrogen difluoride, (E)- | 1.393 | 3 | 4 |
1.393 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.399 | 3 | 4 |
1.399 | 1 | 2 | ||
NF3H+ | protonated nitrogen trifluoride | 1.024 | 1 | 2 |
1.346 | 1 | 3 | ||
1.346 | 1 | 4 | ||
F3NO | Nitrogen trifluoride oxide | 1.405 | 1 | 3 |
1.405 | 1 | 4 | ||
1.405 | 1 | 5 |