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18 10 26 16 45

TPSSh/6-31+G** for rCBr

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


Differences greater than 0.100 are in the 0.100 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 histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart
-0.020 -0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HCCBr bromoacetylene-0.011
Most positive difference BrCN Cyanogen bromide0.053

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HCCBr bromoacetylene 1.792 -0.011
CBr4 Carbon tetrabromide 1.942 0.011
COBr2 Carbonic dibromide 1.917 0.012
CH2Br2 dibromomethane 1.925 0.012
C2H3Br vinyl bromide 1.884 0.012
CH3Br methyl bromide 1.934 0.012
CHBr3 bromoform 1.924 0.014
CHFClBr fluorochlorobromomethane 1.928 0.016
CBr Carbon monobromide 1.821 0.017
CBrCl3 Methane, bromotrichloro- 1.944 0.017
CH2BrCl Methane, bromochloro- 1.928 0.020
C2H5Br Ethyl bromide 1.950 0.024
CF3Br Bromotrifluoromethane 1.923 0.026
CH2BrF Methane, bromofluoro- 1.915 0.033
BrCN Cyanogen bromide 1.789 0.053