Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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10 | ||||||||||||||||||||||||||||||||||||||||
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0 | ||||||||||||||||||||||||||||||||||||||||
-0.011 | -0.010 | -0.009 | -0.008 | -0.007 | -0.006 | -0.005 | -0.004 | -0.003 | -0.002 | -0.001 | -0.000 | 0.001 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | NH2OH | hydroxylamine | -0.011 |
Most positive difference | HNO | Nitrosyl hydride | 0.001 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
NH2OH | hydroxylamine | 1.453 | -0.011 |
HNO3 | Nitric acid | 1.406 | -0.007 |
BrNO | Nitrosyl bromide | 1.146 | -0.006 |
CH2NOH | formaldoxime | 1.408 | -0.006 |
HNO3 | Nitric acid | 1.199 | -0.006 |
NO | Nitric oxide | 1.154 | -0.005 |
FNO | Nitrosyl fluoride | 1.136 | -0.003 |
CH3NO | nitrosomethane | 1.211 | -0.002 |
HNO3 | Nitric acid | 1.211 | -0.002 |
FNO2 | Nitryl fluoride | 1.180 | -0.002 |
ClNO | Nitrosyl chloride | 1.139 | -0.002 |
N2O4 | Dinitrogen tetroxide | 1.190 | -0.001 |
NO2 | Nitrogen dioxide | 1.193 | 0.000 |
HNO | Nitrosyl hydride | 1.209 | 0.001 |