Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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HSEh1PBE/STO-3G
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
5 | |||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.397 | 0.088 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.110 |
Highest value | FNO2 | Nitryl fluoride | 1.453 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FNO | Nitrosyl fluoride | 1.431 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.368 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.412 | 1 | 3 |
NHF2 | difluoramine | 1.430 | 1 | 3 |
1.430 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.432 | 1 | 2 |
1.432 | 1 | 3 | ||
1.432 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.453 | 1 | 2 |
NF3H+ | protonated nitrogen trifluoride | 1.110 | 1 | 2 |
1.416 | 1 | 3 | ||
1.416 | 1 | 4 |