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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

B97D3/aug-cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6223 0.0000   0.3588 -0.5085 0.0000
C2 -1.4875 0.7194 0.0000   1.6302 0.2699 0.0000
S3 0.8755 -0.7473 0.0000   -1.1462 0.1059 0.0000
H4 0.5209 1.5872 0.0000   0.4895 -1.5972 0.0000
H5 -1.9605 -0.2641 0.0000   1.4497 1.3461 0.0000
H6 -1.8213 1.2920 0.8771   2.2331 -0.0056 0.8771
H7 -1.8213 1.2920 -0.8771   2.2331 -0.0056 -0.8771
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4907 1.6255 1.0965 2.1516 2.1296 2.1296
C2 1.4907 2.7812 2.1879 1.0913 1.0994 1.0994
S3 1.6255 2.7812 2.3613 2.8769 3.4930 3.4930
H4 1.0965 2.1879 2.3613 3.0959 2.5184 2.5184
H5 2.1516 1.0913 2.8769 3.0959 1.7917 1.7917
H6 2.1296 1.0994 3.4930 2.5184 1.7917 1.7542
H7 2.1296 1.0994 3.4930 2.5184 1.7917 1.7542
Maximum atom distance is 3.4930Å 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 126.320
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.953 C1 C2 H6 109.688
C1 C2 H7 109.688 C2 C1 H4 114.627
S3 C1 H4 119.052 H5 C2 H6 109.743
H5 C2 H7 109.743 H6 C2 H7 105.842

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