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18 10 26 16 45

MP4/cc-pV(T+d)Z for rCS

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


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

  Species Name Difference (Å)
Most negative difference CH3SSH Hydrogen methyl disulfide-0.008
Most positive difference CH2CS Thioketene0.014

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SSH Hydrogen methyl disulfide 1.823 -0.008
CH3SH Methanethiol 1.818 0.003
C2H6O2S Dimethyl sulfone 1.777 0.003
CH3CSNH2 Ethanethioamide 1.647 0.004
H2CS Thioformaldehyde 1.611 0.009
CH3CH2SH ethanethiol 1.820 0.009
C2H4S Thiirane 1.815 0.010
OCS Carbonyl sulfide 1.560 0.013
CH2CS Thioketene 1.554 0.014