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
C3H4N2 1H-Pyrazole 118.4 119.0 -0.6
N2H4 Hydrazine 108.9 118.7 -9.9
HN3 hydrogen azide 114.1 112.5 1.6
N2H2 (E)-diazene 106.9 107.8 -1.0

B1B95/CEP-31G for aHNN

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


Differences greater than 2 are in the 2 bin. Differences less than -10 are in the -10 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart histogram chart
-10 -9 -8 -7 -6 -5 -4 -3 -2 -1 0 1 2
Angle difference calc. - exp. (degrees)

  Species Name Difference (degrees)
Most negative difference N2H4 Hydrazine -9.9
Most positive difference HN3 hydrogen azide 1.6