return to home page 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

Compare Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
H2S Hydrogen sulfide 92.1 92.3 -0.1

CCSD(T)/aug-cc-pV(T+d)Z for aHSH

Histogram of angle differences (in degrees) vs number of species


Differences greater than 0.08 are in the 0.08 bin. Differences less than -0.16 are in the -0.16 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.16 -0.14 -0.12 -0.1 -0.08 -0.06 -0.04 -0.02 0 0.02 0.04 0.06 0.08
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference H2S Hydrogen sulfide -0.1
Most positive difference H2S Hydrogen sulfide -0.1