Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Calculated > Geometry > Calculated geometry > One type of bond |
QCISD/6-31G**
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
1.00 | 1.10 | 1.20 | 1.30 | 1.40 | 1.50 | 1.60 | 1.70 | 1.80 | 1.90 | 2.00 | 2.10 | 2.20 | ||||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.386 | 0.180 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.040 |
Highest value | NF3- | Nitrogen trifluoride anion | 2.080 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NH2F | monofluoroamine | 1.436 | 1 | 2 |
NF2+ | Difluoroamino cation | 1.268 | 1 | 2 |
1.268 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.480 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.326 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.436 | 1 | 3 |
NHF2 | difluoramine | 1.406 | 1 | 3 |
1.406 | 1 | 4 | ||
NF3- | Nitrogen trifluoride anion | 1.413 | 1 | 2 |
1.413 | 1 | 3 | ||
2.080 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.383 | 1 | 2 |
1.383 | 1 | 3 | ||
1.383 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.300 | 1 | 2 |
1.300 | 1 | 3 | ||
1.300 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.437 | 1 | 2 |
NF3H+ | protonated nitrogen trifluoride | 1.040 | 1 | 2 |
1.330 | 1 | 3 | ||
1.330 | 1 | 4 |