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18 10 26 16 45

PBEPBEultrafine/Def2TZVPP for rCBr

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 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 histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference BrCN Cyanogen bromide0.003
Most positive difference CF3Br Bromotrifluoromethane0.032

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
BrCN Cyanogen bromide 1.789 0.003
CBr Carbon monobromide 1.821 0.011
CBr4 Carbon tetrabromide 1.942 0.014
CH2Br2 dibromomethane 1.925 0.018
CH3Br methyl bromide 1.934 0.019
C2H5Br Ethyl bromide 1.950 0.025
CH2BrCl Methane, bromochloro- 1.928 0.025
CHFClBr fluorochlorobromomethane 1.928 0.032
CF3Br Bromotrifluoromethane 1.923 0.032