Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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M06-2X/6-31+G**
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
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1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.00 | 1.05 | 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 |
---|---|
1.344 | 0.100 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF3H+ | protonated nitrogen trifluoride | 1.048 |
Highest value | FNO | Nitrosyl fluoride | 1.465 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FNO | Nitrosyl fluoride | 1.465 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.302 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.406 | 1 | 3 |
NHF2 | difluoramine | 1.384 | 1 | 3 |
1.384 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.362 | 1 | 2 |
1.362 | 1 | 3 | ||
1.362 | 1 | 4 | ||
FNO2 | Nitryl fluoride | 1.422 | 1 | 2 |
NF3H+ | protonated nitrogen trifluoride | 1.048 | 1 | 2 |
1.315 | 1 | 3 | ||
1.315 | 1 | 4 |