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*
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
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0 | |||||||||||||||||||||||||||||||
1.32 | 1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.388 | 0.037 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF | nitrogen fluoride | 1.325 |
Highest value | FNO | Nitrosyl fluoride | 1.475 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF | nitrogen fluoride | 1.325 | 1 | 2 |
NF2 | Difluoroamino radical | 1.355 | 1 | 2 |
1.355 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.475 | 1 | 2 |
NF3 | Nitrogen trifluoride | 1.377 | 1 | 2 |
1.377 | 1 | 3 | ||
1.377 | 1 | 4 | ||
N2F2 | Dinitrogen difluoride, (E)- | 1.377 | 3 | 4 |
1.377 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.380 | 3 | 4 |
1.380 | 1 | 2 | ||
F3NO | Nitrogen trifluoride oxide | 1.427 | 1 | 3 |
1.427 | 1 | 4 | ||
1.427 | 1 | 5 |