Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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AM1
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.36 | 1.36 | 1.36 | 1.36 | 1.36 | 1.36 | 1.36 | 1.37 | 1.37 | 1.37 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.362 | 0.003 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3 | Nitrogen trifluoride | 1.360 |
Highest value | FNO | Nitrosyl fluoride | 1.367 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FNO | Nitrosyl fluoride | 1.367 | 1 | 2 |
NHF2 | difluoramine | 1.364 | 1 | 3 |
1.364 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.360 | 1 | 2 |
1.360 | 1 | 3 | ||
1.360 | 1 | 4 |