return to home page Computational Chemistry Comparison and Benchmark DataBase Release 19 (April 2018) 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

B2PLYP/cc-pV(T+d)Z for rLiS

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


Differences greater than 0.006 are in the 0.006 bin. Differences less than -0.001 are in the -0.001 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.001 0.000 0.001 0.001 0.002 0.002 0.003 0.003 0.004 0.004 0.005 0.005 0.006
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference LiS Lithium monosulfide0.005
Most positive difference LiS Lithium monosulfide0.005

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
LiS Lithium monosulfide 2.150 0.005