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Compare Bonds

18 10 26 16 45

CCSD(T)=FULL/cc-pVQZ for rCS

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


Differences greater than 0.008 are in the 0.008 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 2 histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.004 -0.003 -0.002 -0.001 0.000 0.001 0.002 0.003 0.004 0.005 0.006 0.007 0.008
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3SH Methanethiol-0.004
Most positive difference CH2CS Thioketene0.007

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SH Methanethiol 1.818 -0.004
SCSe Carbon sulfide selenide 1.553 0.001
C2H4S Thiirane 1.815 0.001
CH3SCH3 Dimethyl sulfide 1.802 0.001
CH3CH2SH ethanethiol 1.820 0.002
H2CS Thioformaldehyde 1.611 0.003
CS2 Carbon disulfide 1.554 0.003
OCS Carbonyl sulfide 1.560 0.006
CH2CS Thioketene 1.554 0.007