Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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CCD/cc-pCVTZ
5 | |||||||||||||||||||||||||||||||||||||
4 | |||||||||||||||||||||||||||||||||||||
3 | |||||||||||||||||||||||||||||||||||||
2 | |||||||||||||||||||||||||||||||||||||
1 | |||||||||||||||||||||||||||||||||||||
0 | |||||||||||||||||||||||||||||||||||||
1.13 | 1.14 | 1.14 | 1.15 | 1.15 | 1.16 | 1.16 | 1.17 | 1.17 | 1.18 | 1.18 | 1.19 | ||||||||||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.164 | 0.022 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | FNO | Nitrosyl fluoride | 1.133 |
Highest value | SNO | Nitrogen oxide sulfide | 1.180 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
N2O | Nitrous oxide | 1.179 | 2 | 3 |
SNO | Nitrogen oxide sulfide | 1.180 | 1 | 3 |
FNO | Nitrosyl fluoride | 1.133 | 2 | 3 |