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18 10 26 16 45

B2PLYP/cc-pV(T+d)Z for rSH

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


Differences greater than 0.020 are in the 0.020 bin. Differences less than -0.004 are in the -0.004 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 histogram chart
-0.004 -0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HS Mercapto radical-0.002
Most positive difference CH3CH2SH ethanethiol0.016

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HS Mercapto radical 1.341 -0.002
H2S2 Disulfane 1.342 -0.000
H2S Hydrogen sulfide 1.336 0.002
CH3SH Methanethiol 1.329 0.008
CH3CH2SH ethanethiol 1.322 0.016