Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B1B95/CEP-31G
5 | ||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | 1.52 | 1.54 | 1.56 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.456 | 0.034 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF2 | Difluoroamino radical | 1.415 |
Highest value | FNO | Nitrosyl fluoride | 1.539 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF2 | Difluoroamino radical | 1.415 | 1 | 2 |
1.415 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.539 | 1 | 2 |
NF3 | Nitrogen trifluoride | 1.439 | 1 | 2 |
1.439 | 1 | 3 | ||
1.439 | 1 | 4 | ||
N2F2 | Dinitrogen difluoride, (E)- | 1.437 | 3 | 4 |
1.437 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.453 | 3 | 4 |
1.453 | 1 | 2 | ||
F3NO | Nitrogen trifluoride oxide | 1.487 | 1 | 3 |
1.487 | 1 | 4 | ||
1.487 | 1 | 5 |