Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP4/6-311G**
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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 |
---|---|
1.448 | 0.205 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF2+ | Difluoroamino cation | 1.257 |
Highest value | NF3- | Nitrogen trifluoride anion | 2.046 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NH2F | monofluoroamine | 1.426 | 1 | 2 |
NF2+ | Difluoroamino cation | 1.257 | 1 | 2 |
1.257 | 1 | 3 | ||
CNF | iso cyanogen fluoride | 1.309 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.460 | 1 | 3 |
NHF2 | difluoramine | 1.399 | 1 | 3 |
1.399 | 1 | 4 | ||
NF3- | Nitrogen trifluoride anion | 2.046 | 1 | 2 |
1.422 | 1 | 3 | ||
1.422 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.527 | 1 | 2 |