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 |
---|---|---|---|---|
NH2CONH2 | Urea | 119.2 | 120.0 | -0.8 |
NH2CONH2 | Urea | 112.8 | 113.7 | -0.9 |
CHONH2 | formamide | 118.5 | 121.5 | -3.0 |
CHONH2 | formamide | 120.0 | 118.8 | 1.2 |
C4H5N | Pyrrole | 125.1 | 124.9 | 0.2 |
HNCNH | diiminomethane | 118.6 | 122.0 | -3.3 |
CH2NH | Methanimine | 110.5 | 110.8 | -0.3 |
HNC | hydrogen isocyanide | 180.0 | 180.0 | 0.0 |