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 Bonds

18 10 26 16 45

TPSSh/6-31G* for rFCl

Histogram of Bond length differences (in Å) vs number of species


Differences greater than 0.100 are in the 0.100 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference ClF5 chlorinepentafluoride-0.015
Most positive difference ClFO3 Perchloryl fluoride0.083

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
ClF5 chlorinepentafluoride 1.650 -0.015
ClF Chlorine monofluoride 1.628 0.019
ClOF3 Chlorine trifluoride oxide 1.713 0.028
ClF3 Chlorine trifluoride 1.697 0.033
ClF3 Chlorine trifluoride 1.597 0.057
ClOF3 Chlorine trifluoride oxide 1.603 0.075
ClFO3 Perchloryl fluoride 1.598 0.083