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18 10 26 16 45

TPSSh/aug-cc-pVTZ 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
histogram chart 0 histogram chart 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+ sulfur monohydride cation-0.003
Most positive difference CH3SH Methanethiol0.015

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HS+ sulfur monohydride cation 1.374 -0.003
NH2SH Thiohydroxylamine 1.344 0.004
HS- mercapto anion 1.343 0.006
H2S2 Disulfane 1.342 0.008
HS Mercapto radical 1.341 0.008
H2S Hydrogen sulfide 1.336 0.009
CH3CH2SH ethanethiol 1.336 0.009
HOSH hydrogen thioperoxide 1.342 0.011
CH3SH Methanethiol 1.329 0.015