Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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B2PLYP=FULLultrafine/cc-pVTZ
5 | ||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||
1.36 | 1.38 | 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 |
---|---|
1.415 | 0.059 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3 | Nitrogen trifluoride | 1.374 |
Highest value | FNO | Nitrosyl fluoride | 1.526 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NH2F | monofluoroamine | 1.426 | 1 | 2 |
FNO | Nitrosyl fluoride | 1.526 | 1 | 2 |
NF3 | Nitrogen trifluoride | 1.374 | 1 | 2 |
1.374 | 1 | 3 | ||
1.374 | 1 | 4 |