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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

HF/6-311G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6115 0.0000   0.3202 -0.5210 0.0000
C2 -1.4925 0.7041 0.0000   1.6402 0.1817 0.0000
S3 0.8771 -0.7320 0.0000   -1.1306 0.1643 0.0000
H4 0.5107 1.5656 0.0000   0.3848 -1.6012 0.0000
H5 -1.9544 -0.2732 0.0000   1.5218 1.2563 0.0000
H6 -1.8176 1.2632 0.8747   2.2099 -0.1242 0.8747
H7 -1.8176 1.2632 -0.8747   2.2099 -0.1242 -0.8747
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4953 1.6045 1.0822 2.1453 2.1198 2.1198
C2 1.4953 2.7708 2.1806 1.0810 1.0879 1.0879
S3 1.6045 2.7708 2.3267 2.8684 3.4652 3.4652
H4 1.0822 2.1806 2.3267 3.0754 2.5055 2.5055
H5 2.1453 1.0810 2.8684 3.0754 1.7733 1.7733
H6 2.1198 1.0879 3.4652 2.5055 1.7733 1.7495
H7 2.1198 1.0879 3.4652 2.5055 1.7733 1.7495
Maximum atom distance is 3.4652Å 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 126.688
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.745 C1 C2 H6 109.277
C1 C2 H7 109.277 C2 C1 H4 114.608
S3 C1 H4 118.703 H5 C2 H6 109.689
H5 C2 H7 109.689 H6 C2 H7 107.047

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