Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD/6-31G(2df,p)
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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 |
---|---|
1.364 | 0.173 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.041 |
Highest value | NF3- | Nitrogen trifluoride anion | 2.075 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NH2F | monofluoroamine | 1.414 | 1 | 2 |
NF2+ | Difluoroamino cation | 1.245 | 1 | 2 |
1.245 | 1 | 3 | ||
FNO | Nitrosyl fluoride | 1.452 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.299 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.398 | 1 | 3 |
NHF2 | difluoramine | 1.383 | 1 | 3 |
1.383 | 1 | 4 | ||
NF3- | Nitrogen trifluoride anion | 1.384 | 1 | 2 |
1.384 | 1 | 3 | ||
2.075 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.359 | 1 | 2 |
1.359 | 1 | 3 | ||
1.359 | 1 | 4 | ||
NF3+ | Nitrogen trifluoride cation | 1.278 | 1 | 2 |
1.278 | 1 | 3 | ||
1.278 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.408 | 1 | 2 |
N2F2 | (Z)-Difluorodiazene | 1.360 | 3 | 4 |
1.360 | 1 | 2 | ||
NF3H+ | protonated nitrogen trifluoride | 1.041 | 1 | 2 |
1.310 | 1 | 3 | ||
1.310 | 1 | 4 |