Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology | |
You are here: Home > Geometry > Experimental > Same bond/angle many molecules OR Comparisons > Geometry > Bonds, angles > Same bond/angle many molecules |
10 | ||||||||||||||||||||||||||||||||||||||||
8 | ||||||||||||||||||||||||||||||||||||||||
6 | ||||||||||||||||||||||||||||||||||||||||
4 | ||||||||||||||||||||||||||||||||||||||||
2 | ||||||||||||||||||||||||||||||||||||||||
0 | ||||||||||||||||||||||||||||||||||||||||
-0.055 | -0.050 | -0.045 | -0.040 | -0.035 | -0.030 | -0.025 | -0.020 | -0.015 | -0.010 | -0.005 | 0.000 | 0.005 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | HNO3 | Nitric acid | -0.054 |
Most positive difference | HCNO | fulminic acid | -0.006 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
HNO3 | Nitric acid | 1.406 | -0.054 |
C2H2N2O | Furazan | 1.373 | -0.038 |
N2O4 | Dinitrogen tetroxide | 1.190 | -0.025 |
NO | Nitric oxide | 1.154 | -0.024 |
HNO3 | Nitric acid | 1.199 | -0.024 |
HNO3 | Nitric acid | 1.211 | -0.021 |
HNO | Nitrosyl hydride | 1.209 | -0.020 |
ClNO | Nitrosyl chloride | 1.139 | -0.020 |
FNO | Nitrosyl fluoride | 1.136 | -0.013 |
N2O | Nitrous oxide | 1.184 | -0.011 |
NO- | nitric oxide anion | 1.258 | -0.010 |
HCNO | fulminic acid | 1.199 | -0.006 |