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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

HF/cc-pVTZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6121 0.0000   0.3449 -0.5057 0.0000
C2 -1.4904 0.6989 0.0000   1.6251 0.2622 0.0000
S3 0.8763 -0.7291 0.0000   -1.1347 0.1087 0.0000
H4 0.5061 1.5662 0.0000   0.4643 -1.5791 0.0000
H5 -1.9460 -0.2789 0.0000   1.4506 1.3268 0.0000
H6 -1.8193 1.2559 0.8725   2.2106 -0.0127 0.8725
H7 -1.8193 1.2559 -0.8725   2.2106 -0.0127 -0.8725
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4929 1.6021 1.0800 2.1403 2.1179 2.1179
C2 1.4929 2.7641 2.1767 1.0788 1.0861 1.0861
S3 1.6021 2.7641 2.3250 2.8579 3.4594 3.4594
H4 1.0800 2.1767 2.3250 3.0687 2.5029 2.5029
H5 2.1403 1.0788 2.8579 3.0687 1.7700 1.7700
H6 2.1179 1.0861 3.4594 2.5029 1.7700 1.7449
H7 2.1179 1.0861 3.4594 2.5029 1.7700 1.7449
Maximum atom distance is 3.4594Å 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 126.494
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.646 C1 C2 H6 109.398
C1 C2 H7 109.398 C2 C1 H4 114.608
S3 C1 H4 118.898 H5 C2 H6 109.692
H5 C2 H7 109.692 H6 C2 H7 106.896

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