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18 10 26 16 45

MP4/3-21G 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
histogram chart 6 histogram chart
histogram chart 4 histogram chart
histogram chart 2 histogram chart
histogram chart 0 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-0.040
Most positive difference CBr Carbon monobromide0.161

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CBrCl3 Methane, bromotrichloro- 1.944 0.040
CH2BrCl Methane, bromochloro- 1.928 0.067
BrCN Cyanogen bromide 1.789 0.068
CBrClF2 Methane, bromochlorodifluoro- 1.932 0.072
HCCBr bromoacetylene 1.792 0.074
C2H5Br Ethyl bromide 1.950 0.075
CHFClBr fluorochlorobromomethane 1.928 0.075
C2H3Br vinyl bromide 1.884 0.076
CBr4 Carbon tetrabromide 1.942 0.080
CH2Br2 dibromomethane 1.925 0.084
CHBr3 bromoform 1.924 0.084
CF3Br Bromotrifluoromethane 1.923 0.087
CH3Br methyl bromide 1.934 0.088
COBr2 Carbonic dibromide 1.917 0.110
CH2BrF Methane, bromofluoro- 1.915 0.120
CBr Carbon monobromide 1.821 0.161