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

G3 for rHN

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


Differences greater than 0.000 are in the 0.000 bin. Differences less than -0.060 are in the -0.060 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 histogram chart histogram chart histogram chart histogram chart
-0.060 -0.055 -0.050 -0.045 -0.040 -0.035 -0.030 -0.025 -0.020 -0.015 -0.010 -0.005 0.000
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3CSNH2 Ethanethioamide-0.055
Most positive difference HNCS Isothiocyanic acid0.000

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3CSNH2 Ethanethioamide 1.050 -0.055
NHF2 difluoramine 1.026 -0.022
LiNH2 lithium amide 1.022 -0.017
NH4+ ammonium cation 1.029 -0.016
NHCl2 dichloroamine 1.014 -0.012
NH2SH Thiohydroxylamine 1.008 -0.010
CHSNH2 thioformamide 1.006 -0.009
CHSNH2 thioformamide 1.001 -0.006
HNCS Isothiocyanic acid 0.993 0.000