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18 10 26 16 45

B2PLYP=FULL/6-311G* for rSH

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


Differences greater than 0.050 are in the 0.050 bin. Differences less than -0.010 are in the -0.010 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
-0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HS+ sulfur monohydride cation-0.007
Most positive difference CH3SH Methanethiol0.018

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HS+ sulfur monohydride cation 1.374 -0.007
NH2SH Thiohydroxylamine 1.344 0.005
H2S2 Disulfane 1.342 0.007
HS Mercapto radical 1.341 0.010
HOSH hydrogen thioperoxide 1.342 0.012
CH3CH2SH ethanethiol 1.336 0.012
HS- mercapto anion 1.343 0.015
CH3SH Methanethiol 1.329 0.018