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18 10 26 16 45

TPSSh/cc-pV(T+d)Z for rSH

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 bin.

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

  Species Name Difference (Å)
Most negative difference HS Mercapto radical0.003
Most positive difference CH3CH2SH ethanethiol0.020

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HS Mercapto radical 1.341 0.003
H2S2 Disulfane 1.342 0.005
H2S Hydrogen sulfide 1.336 0.006
CH3SH Methanethiol 1.329 0.013
CH3CH2SH ethanethiol 1.322 0.020