return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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18 10 26 16 45

HF/SDD for rNBr

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


Differences greater than 2.200 are in the 2.200 bin. Differences less than -0.200 are in the -0.200 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2
histogram chart 0 histogram chart histogram chart
-0.200 0.000 0.200 0.400 0.600 0.800 1.000 1.200 1.400 1.600 1.800 2.000 2.200
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference BrNO Nitrosyl bromide-0.052
Most positive difference NBr nitrogen monobromide2.019

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
BrNO Nitrosyl bromide 2.140 -0.052
NBr nitrogen monobromide 1.765 2.019