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18 10 26 16 45

CCSD(T)/cc-pVTZ for rCS

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
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart 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 CH3SSH Hydrogen methyl disulfide-0.003
Most positive difference CHSNH2 thioformamide0.018

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SSH Hydrogen methyl disulfide 1.823 -0.003
CH3SH Methanethiol 1.818 0.008
CH3CSNH2 Ethanethioamide 1.647 0.008
C2H6O2S Dimethyl sulfone 1.777 0.009
SCSe Carbon sulfide selenide 1.553 0.009
CS2 Carbon disulfide 1.554 0.011
H2CS Thioformaldehyde 1.611 0.011
HCS+ Thioformyl cation 1.478 0.012
CH3SCH3 Dimethyl sulfide 1.802 0.012
C2H4S Thiirane 1.815 0.013
HNCS Isothiocyanic acid 1.567 0.013
OCS Carbonyl sulfide 1.560 0.014
CH3CH2SH ethanethiol 1.820 0.014
CH2CS Thioketene 1.554 0.015
CS carbon monosulfide 1.535 0.015
CHSNH2 thioformamide 1.626 0.018