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

CISD/6-311G* for rNF

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


Differences greater than 0.030 are in the 0.030 bin. Differences less than -0.090 are in the -0.090 bin.

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

  Species Name Difference (Å)
Most negative difference FNO2 Nitryl fluoride-0.082
Most positive difference NF3 Nitrogen trifluoride-0.026

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
FNO2 Nitryl fluoride 1.467 -0.082
FNO Nitrosyl fluoride 1.512 -0.078
NHF2 difluoramine 1.400 -0.034
NH2F monofluoroamine 1.433 -0.031
NF3 Nitrogen trifluoride 1.365 -0.026