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
ClOF3 Chlorine trifluoride oxide 108.9 108.8 0.1

B2PLYP=FULL/cc-pVTZ for aFClO

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


Differences greater than 0.11 are in the 0.11 bin. Differences less than -0.01 are in the -0.01 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.01 0 0.01 0.02 0.03 0.04 0.05 0.06 0.07 0.08 0.09 0.1 0.11
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference ClOF3 Chlorine trifluoride oxide 0.1
Most positive difference ClOF3 Chlorine trifluoride oxide 0.1