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 |
LSDA/aug-cc-pVDZ
14 | ||||||||||||||||||||||||||||||||||||||||
12 | ||||||||||||||||||||||||||||||||||||||||
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 |
---|---|
1.380 | 0.164 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.065 |
Highest value | NF3- | Nitrogen trifluoride anion | 2.129 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF | nitrogen fluoride | 1.310 | 1 | 2 |
NH2F | monofluoroamine | 1.413 | 1 | 2 |
NF2 | Difluoroamino radical | 1.348 | 1 | 2 |
1.348 | 1 | 3 | ||
NF2+ | Difluoroamino cation | 1.254 | 1 | 2 |
1.254 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.506 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.298 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.440 | 1 | 3 |
NF3- | Nitrogen trifluoride anion | 1.395 | 1 | 2 |
1.395 | 1 | 3 | ||
2.129 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.375 | 1 | 2 |
1.375 | 1 | 3 | ||
1.375 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.285 | 1 | 2 |
1.285 | 1 | 3 | ||
1.285 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.478 | 1 | 2 |
N2F2 | Dinitrogen difluoride, (E)- | 1.368 | 3 | 4 |
1.368 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.377 | 3 | 4 |
1.377 | 1 | 2 | ||
NF3H+ | protonated nitrogen trifluoride | 1.065 | 1 | 2 |
1.317 | 1 | 3 | ||
1.317 | 1 | 4 | ||
F3NO | Nitrogen trifluoride oxide | 1.429 | 1 | 3 |
1.429 | 1 | 4 | ||
1.429 | 1 | 5 |