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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
| You are here: Calculated > Geometry > Calculated geometry > One type of bond | |
CID/aug-cc-pCVTZ
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| 1.11 | 1.12 | 1.13 | 1.14 | 1.15 | 1.16 | 1.17 | 1.18 | 1.19 | 1.20 | 1.21 | ||||||||||||||||||||||||
| bond lengths (Å) | ||||||||||||||||||||||||||||||||||
| Average bond length | Standard deviation |
|---|---|
| 1.168 | 0.029 |
| Species | Name | Bond Length (Å) | |
|---|---|---|---|
| Lowest value | ClNO | Nitrosyl chloride | 1.119 |
| Highest value | HCNO | fulminic acid | 1.190 |
| Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
|---|---|---|---|---|
| HNO | Nitrosyl hydride | 1.188 | 2 | 3 |
| N2O | Nitrous oxide | 1.173 | 2 | 3 |
| ClNO | Nitrosyl chloride | 1.119 | 2 | 3 |
| HCNO | fulminic acid | 1.190 | 1 | 2 |