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

CID/3-21G* for rFCl

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


Differences greater than 0.090 are in the 0.090 bin. Differences less than -0.030 are in the -0.030 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
-0.030 -0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference ClF5 chlorinepentafluoride-0.024
Most positive difference ClF Chlorine monofluoride0.052

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
ClF5 chlorinepentafluoride 1.650 -0.024
ClOF3 Chlorine trifluoride oxide 1.713 -0.023
ClF3 Chlorine trifluoride 1.697 0.008
ClOF3 Chlorine trifluoride oxide 1.603 0.020
ClF3 Chlorine trifluoride 1.597 0.042
ClF Chlorine monofluoride 1.628 0.052