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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

MP3/Def2TZVPP


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6195 0.0000   0.3495 -0.5114 0.0000
C2 -1.4927 0.6926 0.0000   1.6232 0.2705 0.0000
S3 0.8784 -0.7281 0.0000   -1.1360 0.1055 0.0000
H4 0.5066 1.5804 0.0000   0.4735 -1.5906 0.0000
H5 -1.9356 -0.2981 0.0000   1.4298 1.3382 0.0000
H6 -1.8341 1.2473 0.8753   2.2180 0.0051 0.8753
H7 -1.8341 1.2473 -0.8753   2.2180 0.0051 -0.8753
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4945 1.6085 1.0863 2.1420 2.1271 2.1271
C2 1.4945 2.7641 2.1876 1.0851 1.0911 1.0911
S3 1.6085 2.7641 2.3382 2.8466 3.4678 3.4678
H4 1.0863 2.1876 2.3382 3.0810 2.5211 2.5211
H5 2.1420 1.0851 2.8466 3.0810 1.7789 1.7789
H6 2.1271 1.0911 3.4678 2.5211 1.7789 1.7507
H7 2.1271 1.0911 3.4678 2.5211 1.7789 1.7507
Maximum atom distance is 3.4678Å 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 125.901
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.282 C1 C2 H6 109.718
C1 C2 H7 109.718 C2 C1 H4 114.993
S3 C1 H4 119.107 H5 C2 H6 109.660
H5 C2 H7 109.660 H6 C2 H7 106.693

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