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=FULLultrafine/STO-3G
7 | |||||||||||||||||||||||||||||||
6 | |||||||||||||||||||||||||||||||
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4 | |||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||
1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | 1.45 | 1.50 | 1.55 | ||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.402 | 0.090 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.108 |
Highest value | FNO2 | Nitryl fluoride | 1.462 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FNO | Nitrosyl fluoride | 1.435 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.379 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.420 | 1 | 3 |
NHF2 | difluoramine | 1.433 | 1 | 3 |
1.433 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.434 | 1 | 2 |
1.434 | 1 | 3 | ||
1.434 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.462 | 1 | 2 |
NF3H+ | protonated nitrogen trifluoride | 1.108 | 1 | 2 |
1.424 | 1 | 3 | ||
1.424 | 1 | 4 |