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

wB97X-D/6-31+G** for rClGa

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


Differences greater than 0.040 are in the 0.040 bin. Differences less than -0.080 are in the -0.080 bin.

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

  Species Name Difference (Å)
Most negative difference GaCl3 Gallium trichloride-0.072
Most positive difference GaCl Gallium monochloride0.015

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
GaCl3 Gallium trichloride 2.180 -0.072
GaCl Gallium monochloride 2.202 0.015