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18 10 26 16 45

MP3=FULL/6-311G** 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
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 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-0.015
Most positive difference C3H6S3 1,3,5-Trithiane0.010

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
CH3SSH Hydrogen methyl disulfide 1.823 -0.015
SCSe Carbon sulfide selenide 1.553 -0.007
CH3CSNH2 Ethanethioamide 1.647 -0.004
CS2 Carbon disulfide 1.554 -0.003
H2CS Thioformaldehyde 1.611 -0.003
CH3SH Methanethiol 1.818 -0.002
C2H4S Thiirane 1.815 -0.002
CH3CHS Thioacetaldehyde 1.610 0.002
CH2CS Thioketene 1.554 0.002
C2H6O2S Dimethyl sulfone 1.777 0.003
OCS Carbonyl sulfide 1.560 0.004
CH3SCH3 Dimethyl sulfide 1.802 0.004
HNCS Isothiocyanic acid 1.567 0.004
CH3CH2SH ethanethiol 1.820 0.005
CHSNH2 thioformamide 1.626 0.007
C3H6S3 1,3,5-Trithiane 1.801 0.010