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18 10 26 16 45

CCSD=FULL/aug-cc-pVDZ for rCS

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


Differences greater than 0.055 are in the 0.055 bin. Differences less than -0.005 are in the -0.005 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4 histogram chart histogram chart
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart
-0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045 0.050 0.055
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3SSH Hydrogen methyl disulfide0.008
Most positive difference OCS Carbonyl sulfide0.027

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SSH Hydrogen methyl disulfide 1.823 0.008
SCSe Carbon sulfide selenide 1.553 0.017
CH3CSNH2 Ethanethioamide 1.647 0.018
CH3SH Methanethiol 1.818 0.019
H2CS Thioformaldehyde 1.611 0.019
CS2 Carbon disulfide 1.554 0.019
C2H6O2S Dimethyl sulfone 1.777 0.022
CH3SCH3 Dimethyl sulfide 1.802 0.024
CH3CHS Thioacetaldehyde 1.610 0.024
HNCS Isothiocyanic acid 1.567 0.025
CH2CS Thioketene 1.554 0.026
C2H4S Thiirane 1.815 0.027
OCS Carbonyl sulfide 1.560 0.027