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18 10 26 16 45

B1B95/cc-pV(T+d)Z for rCC

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


Differences greater than -0.000 are in the -0.000 bin. Differences less than -0.024 are in the -0.024 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart
-0.024 -0.022 -0.020 -0.018 -0.016 -0.014 -0.012 -0.010 -0.008 -0.006 -0.004 -0.002 -0.000
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3CHS Thioacetaldehyde-0.024
Most positive difference C2H4S Thiirane-0.008

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3CHS Thioacetaldehyde 1.506 -0.024
CH3CH2SH ethanethiol 1.529 -0.014
CH3CSNH2 Ethanethioamide 1.512 -0.014
CH2CS Thioketene 1.314 -0.013
C2H4S Thiirane 1.484 -0.008