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18 10 26 16 45

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

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


Differences greater than 0.022 are in the 0.022 bin. Differences less than -0.002 are in the -0.002 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 histogram chart histogram chart histogram chart histogram chart
-0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016 0.018 0.020 0.022
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3SSH Hydrogen methyl disulfide-0.001
Most positive difference C2H6O2S Dimethyl sulfone0.020

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SSH Hydrogen methyl disulfide 1.823 -0.001
H2CS Thioformaldehyde 1.611 0.003
CH3SH Methanethiol 1.818 0.006
C2H4S Thiirane 1.815 0.007
OCS Carbonyl sulfide 1.560 0.008
CS2 Carbon disulfide 1.554 0.008
CH2CS Thioketene 1.554 0.010
CH3CSNH2 Ethanethioamide 1.647 0.010
CS carbon monosulfide 1.535 0.013
CH3CHS Thioacetaldehyde 1.610 0.014
CH3CH2SH ethanethiol 1.820 0.017
C2H6O2S Dimethyl sulfone 1.777 0.020