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=FULL/aug-cc-pVDZ
5 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
3 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
1 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.00 | 1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | 1.60 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.378 | 0.122 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.049 |
Highest value | FNO | Nitrosyl fluoride | 1.560 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FNO | Nitrosyl fluoride | 1.560 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.315 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.478 | 1 | 3 |
NHF2 | difluoramine | 1.408 | 1 | 3 |
1.408 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.385 | 1 | 2 |
1.385 | 1 | 3 | ||
1.385 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.505 | 1 | 2 |
NF3H+ | protonated nitrogen trifluoride | 1.049 | 1 | 2 |
1.327 | 1 | 3 | ||
1.327 | 1 | 4 |