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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

wB97X-D/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 0.6165 0.0000   -0.3497 0.5078 0.0000
C2 -1.4868 0.7063 0.0000   -1.6251 -0.2617 0.0000
S3 0.8745 -0.7360 0.0000   1.1377 -0.1101 0.0000
H4 0.5124 1.5785 0.0000   -0.4734 1.5907 0.0000
H5 -1.9492 -0.2774 0.0000   -1.4480 -1.3341 0.0000
H6 -1.8169 1.2690 0.8766   -2.2162 0.0145 0.8766
H7 -1.8169 1.2690 -0.8766   -2.2162 0.0145 -0.8766
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4895 1.6106 1.0899 2.1444 2.1202 2.1202
C2 1.4895 2.7669 2.1812 1.0869 1.0927 1.0927
S3 1.6106 2.7669 2.3427 2.8607 3.4687 3.4687
H4 1.0899 2.1812 2.3427 3.0828 2.5080 2.5080
H5 2.1444 1.0869 2.8607 3.0828 1.7825 1.7825
H6 2.1202 1.0927 3.4687 2.5080 1.7825 1.7533
H7 2.1202 1.0927 3.4687 2.5080 1.7825 1.7533
Maximum atom distance is 3.4687Å 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 126.339
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.721 C1 C2 H6 109.427
C1 C2 H7 109.427 C2 C1 H4 114.586
S3 C1 H4 119.076 H5 C2 H6 109.724
H5 C2 H7 109.724 H6 C2 H7 106.687

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