Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
B97D3/aug-cc-pVQZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | 1.65 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.426 | 0.072 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CNF | iso cyanogen fluoride | 1.315 |
Highest value | FNO | Nitrosyl fluoride | 1.569 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FNO | Nitrosyl fluoride | 1.569 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.315 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.502 | 1 | 3 |
NHF2 | difluoramine | 1.416 | 1 | 3 |
1.416 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.397 | 1 | 2 |
1.397 | 1 | 3 | ||
1.397 | 1 | 4 |