Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/3-21G*
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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 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.428 | 0.129 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.053 |
Highest value | NF3- | Nitrogen trifluoride anion | 1.972 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF- | nitrogen monofluorine anion | 1.545 | 1 | 2 |
NF | nitrogen fluoride | 1.390 | 1 | 2 |
NF+ | nitrogen monofluoirde cation | 1.257 | 1 | 2 |
NH2F | monofluoroamine | 1.468 | 1 | 2 |
NF2 | Difluoroamino radical | 1.415 | 1 | 2 |
1.415 | 1 | 3 | ||
NF2+ | Difluoroamino cation | 1.323 | 1 | 2 |
1.323 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.496 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.359 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.471 | 1 | 3 |
NHF2 | difluoramine | 1.450 | 1 | 3 |
1.450 | 1 | 4 | ||
NF3- | Nitrogen trifluoride anion | 1.484 | 1 | 2 |
1.484 | 1 | 3 | ||
1.972 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.434 | 1 | 2 |
1.434 | 1 | 3 | ||
1.434 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.356 | 1 | 2 |
1.356 | 1 | 3 | ||
1.356 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.465 | 1 | 2 |
N2F2 | Dinitrogen difluoride, (E)- | 1.441 | 3 | 4 |
1.441 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.442 | 3 | 4 |
1.442 | 1 | 2 | ||
NF3H+ | protonated nitrogen trifluoride | 1.053 | 1 | 2 |
1.390 | 1 | 3 | ||
1.390 | 1 | 4 | ||
F3NO | Nitrogen trifluoride oxide | 1.463 | 1 | 3 |
1.463 | 1 | 4 | ||
1.463 | 1 | 5 |