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/6-311G*
5 | ||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||
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 |
---|---|
1.376 | 0.042 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NF | nitrogen fluoride | 1.314 |
Highest value | FNO | Nitrosyl fluoride | 1.465 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NF | nitrogen fluoride | 1.314 | 1 | 2 |
FNO | Nitrosyl fluoride | 1.465 | 1 | 2 |
NHF2 | difluoramine | 1.384 | 1 | 3 |
1.384 | 1 | 4 | ||
NF3 | Nitrogen trifluoride | 1.361 | 1 | 2 |
1.361 | 1 | 3 | ||
1.361 | 1 | 4 |