Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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LSDA/STO-3G
12 | |||||||||||||||||||||||||||||||||||||
10 | |||||||||||||||||||||||||||||||||||||
8 | |||||||||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.424 | 0.083 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.119 |
Highest value | NF3- | Nitrogen trifluoride anion | 1.578 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF | nitrogen fluoride | 1.357 | 1 | 2 |
NH2F | monofluoroamine | 1.433 | 1 | 2 |
NF2 | Difluoroamino radical | 1.403 | 1 | 2 |
1.403 | 1 | 3 | ||
NF2+ | Difluoroamino cation | 1.368 | 1 | 2 |
1.368 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.450 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.367 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.426 | 1 | 3 |
NF3- | Nitrogen trifluoride anion | 1.578 | 1 | 2 |
1.578 | 1 | 3 | ||
1.578 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.442 | 1 | 2 |
1.442 | 1 | 3 | ||
1.442 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.396 | 1 | 2 |
1.396 | 1 | 3 | ||
1.396 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.469 | 1 | 2 |
N2F2 | Dinitrogen difluoride, (E)- | 1.399 | 3 | 4 |
1.399 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.404 | 3 | 4 |
1.404 | 1 | 2 | ||
NF3H+ | protonated nitrogen trifluoride | 1.119 | 1 | 2 |
1.417 | 1 | 3 | ||
1.417 | 1 | 4 | ||
F3NO | Nitrogen trifluoride oxide | 1.484 | 1 | 3 |
1.484 | 1 | 4 | ||
1.484 | 1 | 5 |