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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

1910171554
InChI=1S/C2H4S/c1-2-3/h2H,1H3 INChIKey=QJFUMFCCMJJLIE-UHFFFAOYSA-N

CCD/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6185 0.0000   0.3485 -0.5110 0.0000
C2 -1.4937 0.6925 0.0000   1.6242 0.2695 0.0000
S3 0.8790 -0.7277 0.0000   -1.1362 0.1059 0.0000
H4 0.5067 1.5816 0.0000   0.4725 -1.5921 0.0000
H5 -1.9378 -0.2989 0.0000   1.4325 1.3387 0.0000
H6 -1.8356 1.2470 0.8766   2.2191 0.0039 0.8766
H7 -1.8356 1.2470 -0.8766   2.2191 0.0039 -0.8766
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4955 1.6077 1.0882 2.1440 2.1291 2.1291
C2 1.4955 2.7653 2.1891 1.0863 1.0922 1.0922
S3 1.6077 2.7653 2.3390 2.8493 3.4695 3.4695
H4 1.0882 2.1891 2.3390 3.0841 2.5232 2.5232
H5 2.1440 1.0863 2.8493 3.0841 1.7801 1.7801
H6 2.1291 1.0922 3.4695 2.5232 1.7801 1.7532
H7 2.1291 1.0922 3.4695 2.5232 1.7801 1.7532
Maximum atom distance is 3.4695Å between atoms S3 and H6.
picture of Thioacetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C2 C1 S3 125.981
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.294 C1 C2 H6 109.742
C1 C2 H7 109.742 C2 C1 H4 114.914
S3 C1 H4 119.106 H5 C2 H6 109.597
H5 C2 H7 109.597 H6 C2 H7 106.761

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.