Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
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-0.045 | -0.040 | -0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | 0.010 | 0.015 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | CH3ONO | Methyl nitrite | -0.042 |
Most positive difference | HCNO | fulminic acid | 0.010 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
CH3ONO | Methyl nitrite | 1.398 | -0.042 |
NH2OH | hydroxylamine | 1.453 | -0.027 |
HNO3 | Nitric acid | 1.406 | -0.016 |
ClNO2 | Nitryl chloride | 1.202 | -0.015 |
CH3CHNOH | Acetaldoxime | 1.408 | -0.014 |
CH3NO2 | Methane, nitro- | 1.224 | -0.012 |
CH2NOH | formaldoxime | 1.408 | -0.008 |
HNO3 | Nitric acid | 1.199 | -0.008 |
BrNO | Nitrosyl bromide | 1.146 | -0.007 |
CH3NO | nitrosomethane | 1.211 | -0.007 |
C2H2N2O | Furazan | 1.373 | -0.006 |
HNO3 | Nitric acid | 1.211 | -0.004 |
HNO | Nitrosyl hydride | 1.209 | -0.003 |
N2O4 | Dinitrogen tetroxide | 1.190 | -0.003 |
NO2 | Nitrogen dioxide | 1.193 | -0.003 |
NO+ | nitric oxide cation | 1.066 | -0.003 |
FNO2 | Nitryl fluoride | 1.180 | -0.002 |
FNO | Nitrosyl fluoride | 1.136 | -0.002 |
ClNO | Nitrosyl chloride | 1.139 | -0.001 |
NO | Nitric oxide | 1.154 | -0.001 |
CH3ONO | Methyl nitrite | 1.182 | 0.000 |
N2O | Nitrous oxide | 1.184 | 0.003 |
NO- | nitric oxide anion | 1.258 | 0.009 |
HCNO | fulminic acid | 1.199 | 0.010 |