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18 10 26 16 45

PBEPBEultrafine/aug-cc-pVDZ 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 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 HCCBr bromoacetylene0.007
Most positive difference CH2BrF Methane, bromofluoro-0.046

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HCCBr bromoacetylene 1.792 0.007
BrCN Cyanogen bromide 1.789 0.011
CBr Carbon monobromide 1.821 0.022
CH2Br2 dibromomethane 1.925 0.025
CH3Br methyl bromide 1.934 0.026
CF3Br Bromotrifluoromethane 1.923 0.028
CH2BrCl Methane, bromochloro- 1.928 0.030
CHFClBr fluorochlorobromomethane 1.928 0.033
C2H5Br Ethyl bromide 1.950 0.033
CH2BrF Methane, bromofluoro- 1.915 0.046