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18 10 26 16 45

CCSD(T)/aug-cc-pVQZ for rSH

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


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

  Species Name Difference (Å)
Most negative difference HS+ sulfur monohydride cation-0.008
Most positive difference CH3SH Methanethiol0.011

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HS+ sulfur monohydride cation 1.374 -0.008
NH2SH Thiohydroxylamine 1.344 -0.002
H2S2 Disulfane 1.342 0.001
HS Mercapto radical 1.341 0.003
HS- mercapto anion 1.343 0.003
H2S Hydrogen sulfide 1.336 0.004
CH3SH Methanethiol 1.329 0.011