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18 10 26 16 45

CID/6-31G for rCS

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


Differences greater than 0.110 are in the 0.110 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 histogram chart
histogram chart 2 histogram chart histogram chart histogram chart
histogram chart 0 histogram chart histogram chart histogram chart histogram chart histogram chart histogram chart
-0.010 0.000 0.010 0.020 0.030 0.040 0.050 0.060 0.070 0.080 0.090 0.100 0.110
bond length difference calc. - exp. (Å)

  Species Name Difference (Å)
Most negative difference HCS+ Thioformyl cation0.045
Most positive difference C2H4S Thiirane0.111

Bond lengths
Click on entry for experimental details.

Species Name Experimental (Å) Difference (Å)
HCS+ Thioformyl cation 1.478 0.045
SCSe Carbon sulfide selenide 1.553 0.047
CS2 Carbon disulfide 1.554 0.048
H2CS Thioformaldehyde 1.611 0.055
CS carbon monosulfide 1.535 0.057
CH3CHS Thioacetaldehyde 1.610 0.058
CH3CSNH2 Ethanethioamide 1.647 0.065
CH2CS Thioketene 1.554 0.066
OCS Carbonyl sulfide 1.560 0.068
CH3SSH Hydrogen methyl disulfide 1.823 0.071
CHSNH2 thioformamide 1.626 0.072
C3H6S3 1,3,5-Trithiane 1.801 0.077
C2H6O2S Dimethyl sulfone 1.777 0.077
C5H10S 2H-Thiopyran, tetrahydro- 1.811 0.080
CH3SSCH3 Disulfide, dimethyl 1.810 0.081
CH3SH Methanethiol 1.818 0.081
CH3SCH3 Dimethyl sulfide 1.802 0.085
C4H6S Thiophene, 2,5-dihydro- 1.816 0.091
HNCS Isothiocyanic acid 1.567 0.091
C2H4S Thiirane 1.815 0.111