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 | ||||||||||||||||||||||||||||||||||||||||
-0.020 | -0.010 | 0.000 | 0.010 | 0.020 | 0.030 | 0.040 | 0.050 | 0.060 | 0.070 | 0.080 | 0.090 | 0.100 | ||||||||||||||||||||||||||||
bond length difference calc. - exp. (Å) |
Species | Name | Difference (Å) | |
---|---|---|---|
Most negative difference | H2COO | Dioxymethyl radical | -0.018 |
Most positive difference | C2H4O | Ethylene oxide | 0.075 |
Bond lengths
Click on entry for experimental details.
Species | Name | Experimental (Å) | Difference (Å) |
---|---|---|---|
H2COO | Dioxymethyl radical | 1.272 | -0.018 |
CO+ | carbon monoxide cation | 1.115 | -0.002 |
OCS | Carbonyl sulfide | 1.160 | 0.012 |
BH3CO | Borane carbonyl | 1.135 | 0.012 |
OCSe | Carbonyl selenide | 1.159 | 0.013 |
C3H2O3 | vinylene carbonate | 1.191 | 0.020 |
CO | Carbon monoxide | 1.128 | 0.023 |
C2H2O4 | Oxalic Acid | 1.336 | 0.024 |
C2H2O4 | Oxalic Acid | 1.205 | 0.026 |
CH3CHO | Acetaldehyde | 1.216 | 0.026 |
HCOOH | Formic acid | 1.202 | 0.026 |
ClCOClCO | Oxalyl chloride | 1.182 | 0.029 |
HCONHCH3 | N-methylformamide | 1.219 | 0.030 |
CH2CO | Ketene | 1.162 | 0.031 |
CH3CH2CHO | Propanal | 1.210 | 0.032 |
C3H6O3 | 1,3,5-Trioxane | 1.421 | 0.033 |
H2CO | Formaldehyde | 1.205 | 0.035 |
HCOOH | Formic acid | 1.343 | 0.036 |
C3O2 | Carbon suboxide | 1.146 | 0.039 |
C3H2O3 | vinylene carbonate | 1.385 | 0.046 |
C3H2O3 | vinylene carbonate | 1.364 | 0.048 |
C2H4O | Ethylene oxide | 1.425 | 0.075 |