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 |
---|---|---|---|---|
C2H6O2S | Dimethyl sulfone | 103.3 | 103.3 | 0.0 |
CH3SCH3 | Dimethyl sulfide | 98.9 | 98.4 | 0.5 |
C3H6S3 | 1,3,5-Trithiane | 99.4 | 97.9 | 1.5 |
C2H4S | Thiirane | 48.3 | 48.2 | 0.1 |
C4H6S | Thiophene, 2,5-dihydro- | 96.5 | 94.4 | 2.1 |