Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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QCISD(TQ)=FULL/cc-pVQZ
5 | |||||||||||||||||||||||||
4 | |||||||||||||||||||||||||
3 | |||||||||||||||||||||||||
2 | |||||||||||||||||||||||||
1 | |||||||||||||||||||||||||
0 | |||||||||||||||||||||||||
1.05 | 1.10 | 1.15 | 1.20 | 1.25 | 1.30 | 1.35 | 1.40 | ||||||||||||||||||
bond lengths (Å) |
Average bond length | Standard deviation |
---|---|
1.166 | 0.073 |
Species | Name | Bond Length (Å) | |
---|---|---|---|
Lowest value | NO+ | nitric oxide cation | 1.061 |
Highest value | NOH | Hydroxyimidogen | 1.325 |
Species | Name | Bond Length (Å) | Atom1 index | Atom2 index |
---|---|---|---|---|
NO | Nitric oxide | 1.152 | 1 | 2 |
NO+ | nitric oxide cation | 1.061 | 1 | 2 |
NOH | Hydroxyimidogen | 1.325 | 1 | 2 |
NOH+ | O-protonated nitric oxide | 1.177 | 1 | 2 |
NO2 | Nitrogen dioxide | 1.190 | 1 | 2 |
1.190 | 1 | 3 | ||
NO2+ | Nitrogen dioxide cation | 1.116 | 1 | 2 |
1.116 | 1 | 3 |