Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCSD=FULL/aug-cc-pVQZ
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1.28 | 1.30 | 1.32 | 1.34 | 1.36 | 1.38 | 1.40 | 1.42 | 1.44 | 1.46 | 1.48 | 1.50 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.372 | 0.047 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | CNF | iso cyanogen fluoride | 1.293 |
Highest value | FNO | Nitrosyl fluoride | 1.467 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
FNO | Nitrosyl fluoride | 1.467 | 1 | 2 |
CNF | iso cyanogen fluoride | 1.293 | 2 | 3 |
FNS | Thionitrosyl fluoride | 1.402 | 1 | 3 |
NHF2 | difluoramine | 1.377 | 1 | 3 |
1.377 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.352 | 1 | 2 |
1.352 | 1 | 3 | ||
1.352 | 1 | 4 |