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18 10 26 16 45

MP4=FULL/aug-cc-pVTZ for rCS

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


Differences greater than 0.045 are in the 0.045 bin. Differences less than -0.015 are in the -0.015 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
-0.015 -0.010 -0.005 0.000 0.005 0.010 0.015 0.020 0.025 0.030 0.035 0.040 0.045
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference CH3SSH Hydrogen methyl disulfide-0.011
Most positive difference SCSe Carbon sulfide selenide0.019

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SSH Hydrogen methyl disulfide 1.823 -0.011
CH3SH Methanethiol 1.818 0.001
CH3CH2SH ethanethiol 1.820 0.005
C2H4S Thiirane 1.815 0.008
H2CS Thioformaldehyde 1.611 0.009
HNCS Isothiocyanic acid 1.567 0.012
OCS Carbonyl sulfide 1.560 0.013
CH2CS Thioketene 1.554 0.014
CHSNH2 thioformamide 1.626 0.015
CS2 Carbon disulfide 1.554 0.017
SCSe Carbon sulfide selenide 1.553 0.019