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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

PBEPBE/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6536 0.0000   0.3764 -0.5343 0.0000
C2 -1.4933 0.7467 0.0000   1.6508 0.2496 0.0000
S3 0.8779 -0.7754 0.0000   -1.1643 0.1283 0.0000
H4 0.5385 1.6141 0.0000   0.4893 -1.6297 0.0000
H5 -1.9585 -0.2501 0.0000   1.4570 1.3324 0.0000
H6 -1.8332 1.3206 0.8865   2.2593 -0.0238 0.8865
H7 -1.8332 1.3206 -0.8865   2.2593 -0.0238 -0.8865
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4962 1.6772 1.1012 2.1569 2.1428 2.1428
C2 1.4962 2.8177 2.2092 1.1000 1.1094 1.1094
S3 1.6772 2.8177 2.4135 2.8846 3.5397 3.5397
H4 1.1012 2.2092 2.4135 3.1162 2.5490 2.5490
H5 2.1569 1.1000 2.8846 3.1162 1.8080 1.8080
H6 2.1428 1.1094 3.5397 2.5490 1.8080 1.7729
H7 2.1428 1.1094 3.5397 2.5490 1.8080 1.7729
Maximum atom distance is 3.5397Å 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 125.129
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.450 C1 C2 H6 109.756
C1 C2 H7 109.756 C2 C1 H4 115.713
S3 C1 H4 119.158 H5 C2 H6 109.829
H5 C2 H7 109.829 H6 C2 H7 106.078

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