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18 10 26 16 45

PBEPBE/STO-3G for rCBr

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


Differences greater than 0.220 are in the 0.220 bin. Differences less than -0.020 are in the -0.020 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.020 0.000 0.020 0.040 0.060 0.080 0.100 0.120 0.140 0.160 0.180 0.200 0.220
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CBrCl3 Methane, bromotrichloro--0.012
Most positive difference CF3Br Bromotrifluoromethane0.117

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CBrCl3 Methane, bromotrichloro- 1.944 -0.012
CH2BrCl Methane, bromochloro- 1.928 -0.005
C2H5Br Ethyl bromide 1.950 -0.004
CH3Br methyl bromide 1.934 -0.001
C2H3Br vinyl bromide 1.884 0.002
HCCBr bromoacetylene 1.792 0.014
CH2Br2 dibromomethane 1.925 0.020
BrCN Cyanogen bromide 1.789 0.021
COBr2 Carbonic dibromide 1.917 0.033
CHFClBr fluorochlorobromomethane 1.928 0.037
CBr4 Carbon tetrabromide 1.942 0.043
CBrClF2 Methane, bromochlorodifluoro- 1.932 0.060
CH2BrF Methane, bromofluoro- 1.915 0.070
CBr Carbon monobromide 1.821 0.083
CF3Br Bromotrifluoromethane 1.923 0.117