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/cc-pVDZ
14 | ||||||||||||||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
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 | 2.20 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.426 | 0.153 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.063 |
Highest value | NF3- | Nitrogen trifluoride anion | 2.085 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF | nitrogen fluoride | 1.344 | 1 | 2 |
NH2F | monofluoroamine | 1.464 | 1 | 2 |
NF2 | Difluoroamino radical | 1.389 | 1 | 2 |
1.389 | 1 | 3 | ||
NF2+ | Difluoroamino cation | 1.282 | 1 | 2 |
1.282 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.566 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.339 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.495 | 1 | 3 |
NHF2 | difluoramine | 1.438 | 1 | 3 |
1.438 | 1 | 4 | ||
NF3- | Nitrogen trifluoride anion | 1.503 | 1 | 2 |
1.503 | 1 | 3 | ||
2.085 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.421 | 1 | 2 |
1.421 | 1 | 3 | ||
1.421 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.320 | 1 | 2 |
1.320 | 1 | 3 | ||
1.320 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.536 | 1 | 2 |
N2F2 | Dinitrogen difluoride, (E)- | 1.426 | 3 | 4 |
1.426 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.432 | 3 | 4 |
1.432 | 1 | 2 | ||
NF3H+ | protonated nitrogen trifluoride | 1.063 | 1 | 2 |
1.353 | 1 | 3 | ||
1.353 | 1 | 4 | ||
F3NO | Nitrogen trifluoride oxide | 1.485 | 1 | 3 |
1.485 | 1 | 4 | ||
1.485 | 1 | 5 |