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 |
---|---|---|---|---|
HClO4 | perchloric acid | 115.0 | 105.1 | 9.9 |
HClO4 | perchloric acid | 114.6 | 113.6 | 1.0 |
HClO4 | perchloric acid | 101.5 | 101.0 | 0.5 |
HClO4 | perchloric acid | 104.2 | 115.0 | -10.8 |
OClO | Chlorine dioxide | 117.4 | 117.5 | -0.1 |