Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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MP2/6-31+G**
25 | ||||||||||||||||||||||||||||
20 | ||||||||||||||||||||||||||||
15 | ||||||||||||||||||||||||||||
10 | ||||||||||||||||||||||||||||
5 | ||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||
1.00 | 1.20 | 1.40 | 1.60 | 1.80 | 2.00 | 2.20 | 2.40 | 2.60 | ||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.408 | 0.184 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.045 |
Highest value | NF3- | Nitrogen trifluoride anion | 2.264 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF | nitrogen fluoride | 1.340 | 1 | 2 |
NH2F | monofluoroamine | 1.444 | 1 | 2 |
NF2 | Difluoroamino radical | 1.366 | 1 | 2 |
1.366 | 1 | 3 | ||
NF2+ | Difluoroamino cation | 1.259 | 1 | 2 |
1.259 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.593 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.322 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.505 | 1 | 3 |
NHF2 | difluoramine | 1.415 | 1 | 3 |
1.415 | 1 | 4 | ||
NF3- | Nitrogen trifluoride anion | 1.396 | 1 | 2 |
1.396 | 1 | 3 | ||
2.264 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.391 | 1 | 2 |
1.391 | 1 | 3 | ||
1.391 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.294 | 1 | 2 |
1.294 | 1 | 3 | ||
1.294 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.548 | 1 | 2 |
N2F2 | Dinitrogen difluoride, (E)- | 1.401 | 3 | 4 |
1.401 | 1 | 2 | ||
N2F2 | (Z)-Difluorodiazene | 1.405 | 3 | 4 |
1.405 | 1 | 2 | ||
NF3H+ | protonated nitrogen trifluoride | 1.045 | 1 | 2 |
1.333 | 1 | 3 | ||
1.333 | 1 | 4 | ||
F3NO | Nitrogen trifluoride oxide | 1.466 | 1 | 3 |
1.466 | 1 | 4 | ||
1.466 | 1 | 5 |