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18 10 26 16 45

HF/cc-pV(T+d)Z for rCC

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


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

  Species Name Difference (Å)
Most negative difference C2Cl2 dichloroacetylene-0.070
Most positive difference C4H4S Thiophene0.008

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
C2Cl2 dichloroacetylene 1.246 -0.070
CH2ClCHCl2 1,1,2-trichloroethane 1.580 -0.064
CHClCHCl Ethene, 1,2-dichloro-, (E)- 1.354 -0.047
C2Cl4 Tetrachloroethylene 1.354 -0.036
CH3CCl3 Ethane, 1,1,1-trichloro- 1.550 -0.034
CHClCCl2 Trichloroethylene 1.337 -0.026
C4H4S Thiophene 1.370 -0.025
C2H3Cl Ethene, chloro- 1.332 -0.024
CH2CS Thioketene 1.314 -0.021
CH2CCl2 Ethene, 1,1-dichloro- 1.324 -0.016
CH3CHS Thioacetaldehyde 1.506 -0.013
C2H4S Thiirane 1.484 -0.010
C3H6S Thietane 1.549 -0.010
CHClCHCl Ethene, 1,2-dichloro-, (Z)- 1.317 -0.008
CH3COCl Acetyl Chloride 1.506 -0.007
CH3CH2SH ethanethiol 1.529 -0.007
CH3CSNH2 Ethanethioamide 1.512 -0.006
C4H4S Thiophene 1.423 0.008