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 |
Species | Name | Experimental Angle | Calculated Angle | Difference |
---|---|---|---|---|
CH3Cl | Methyl chloride | 108.2 | 107.5 | 0.6 |
CH2Cl2 | Methylene chloride | 108.1 | 107.8 | 0.4 |
CHF2Cl | difluorochloromethane | 110.7 | 111.2 | -0.5 |
CH2ClCHClCH3 | Propane, 1,2-dichloro- | 109.0 | 104.2 | 4.8 |
CHClCHCl | Ethene, 1,2-dichloro-, (Z)- | 112.6 | 113.4 | -0.9 |
CH2FCl | fluorochloromethane | 109.4 | 108.3 | 1.1 |
CH2ClI | chloroiodomethane | 108.7 | 107.1 | 1.6 |
CHFClBr | fluorochlorobromomethane | 108.5 | 108.8 | -0.3 |
CH2CHCH2CH2Cl | 1-Butene, 4-chloro- | 106.5 | 105.2 | 1.3 |
HCCl | Chloromethylene | 101.4 | 101.3 | 0.1 |