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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

CCSD(T)/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6276 0.0000   -0.3541 0.5182 0.0000
C2 -1.4993 0.7060 0.0000   -1.6362 -0.2630 0.0000
S3 0.8818 -0.7397 0.0000   1.1454 -0.1132 0.0000
H4 0.5137 1.5925 0.0000   -0.4744 1.6047 0.0000
H5 -1.9481 -0.2879 0.0000   -1.4460 -1.3368 0.0000
H6 -1.8396 1.2645 0.8799   -2.2323 0.0061 0.8799
H7 -1.8396 1.2645 -0.8799   -2.2323 0.0061 -0.8799
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.5013 1.6270 1.0931 2.1525 2.1363 2.1363
C2 1.5013 2.7856 2.1996 1.0905 1.0963 1.0963
S3 1.6270 2.7856 2.3611 2.8658 3.4924 3.4924
H4 1.0931 2.1996 2.3611 3.0978 2.5337 2.5337
H5 2.1525 1.0905 2.8658 3.0978 1.7877 1.7877
H6 2.1363 1.0963 3.4924 2.5337 1.7877 1.7598
H7 2.1363 1.0963 3.4924 2.5337 1.7877 1.7598
Maximum atom distance is 3.4924Å between atoms S3 and H6.
picture of Thioacetaldehyde
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle

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