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18 10 26 16 45

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

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


Differences greater than 0.016 are in the 0.016 bin. Differences less than -0.008 are in the -0.008 bin.

histogram chart 10
histogram chart 8
histogram chart 6
histogram chart 4
histogram chart 2 histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.008 -0.006 -0.004 -0.002 0.000 0.002 0.004 0.006 0.008 0.010 0.012 0.014 0.016
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3SSH Hydrogen methyl disulfide-0.008
Most positive difference CS carbon monosulfide0.012

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SSH Hydrogen methyl disulfide 1.823 -0.008
C2H6O2S Dimethyl sulfone 1.777 0.001
CH3SH Methanethiol 1.818 0.003
CH3CSNH2 Ethanethioamide 1.647 0.004
H2CS Thioformaldehyde 1.611 0.007
CS2 Carbon disulfide 1.554 0.007
C2H4S Thiirane 1.815 0.008
CH3CH2SH ethanethiol 1.820 0.010
OCS Carbonyl sulfide 1.560 0.010
CH2CS Thioketene 1.554 0.011
CS carbon monosulfide 1.535 0.012