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18 10 26 16 45

B3PW91/3-21G 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
histogram chart 4 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 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-0.006
Most positive difference CBr Carbon monobromide0.121

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CBrCl3 Methane, bromotrichloro- 1.944 0.006
BrCN Cyanogen bromide 1.789 0.029
CH2BrCl Methane, bromochloro- 1.928 0.036
HCCBr bromoacetylene 1.792 0.036
CBr4 Carbon tetrabromide 1.942 0.041
CBrClF2 Methane, bromochlorodifluoro- 1.932 0.043
C2H3Br vinyl bromide 1.884 0.044
CHFClBr fluorochlorobromomethane 1.928 0.046
CHBr3 bromoform 1.924 0.049
C2H5Br Ethyl bromide 1.950 0.049
CH2Br2 dibromomethane 1.925 0.050
COBr2 Carbonic dibromide 1.917 0.054
CH3Br methyl bromide 1.934 0.057
CF3Br Bromotrifluoromethane 1.923 0.063
CH2BrF Methane, bromofluoro- 1.915 0.096
CBr Carbon monobromide 1.821 0.121