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 Angles

18 10 26 16 25

Click on entry for experimental details.
Species Name Experimental Angle Calculated Angle Difference
Na2Cl2 Disodium dichloride 101.4 101.4 -0.0

B1B95/6-311G* for aClNaCl

Histogram of angle differences (in degrees) vs number of species


Differences greater than 0.004 are in the 0.004 bin. Differences less than -0.02 are in the -0.02 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart
-0.02 -0.018 -0.016 -0.014 -0.012 -0.01 -0.008 -0.006 -0.004 -0.002 -3.46944695195361E-18 1.99999999999999E-03 0.004
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference Na2Cl2 Disodium dichloride -0.0
Most positive difference Na2Cl2 Disodium dichloride -0.0