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18 10 26 16 45

PBE1PBE/cc-pV(T+d)Z for rCS

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


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

  Species Name Difference (Å)
Most negative difference CH3SSH Hydrogen methyl disulfide-0.019
Most positive difference CH3CHS Thioacetaldehyde-0.001

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SSH Hydrogen methyl disulfide 1.823 -0.019
C2H4S Thiirane 1.815 -0.013
CH3SH Methanethiol 1.818 -0.011
H2CS Thioformaldehyde 1.611 -0.011
CH3CSNH2 Ethanethioamide 1.647 -0.003
CH2CS Thioketene 1.554 -0.002
OCS Carbonyl sulfide 1.560 -0.002
CH3CH2SH ethanethiol 1.820 -0.002
CH3CHS Thioacetaldehyde 1.610 -0.001