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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

TPSSh/6-31G(2df,p)


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6186 0.0000   0.3526 -0.5083 0.0000
C2 -1.4942 0.7118 0.0000   1.6335 0.2667 0.0000
S3 0.8793 -0.7407 0.0000   -1.1447 0.1076 0.0000
H4 0.5112 1.5868 0.0000   0.4842 -1.5952 0.0000
H5 -1.9592 -0.2751 0.0000   1.4530 1.3426 0.0000
H6 -1.8274 1.2790 0.8791   2.2306 -0.0095 0.8791
H7 -1.8274 1.2790 -0.8791   2.2306 -0.0095 -0.8791
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4971 1.6189 1.0948 2.1534 2.1327 2.1327
C2 1.4971 2.7827 2.1880 1.0909 1.0980 1.0980
S3 1.6189 2.7827 2.3564 2.8764 3.4898 3.4898
H4 1.0948 2.1880 2.3564 3.0934 2.5173 2.5173
H5 2.1534 1.0909 2.8764 3.0934 1.7904 1.7904
H6 2.1327 1.0980 3.4898 2.5173 1.7904 1.7582
H7 2.1327 1.0980 3.4898 2.5173 1.7904 1.7582
Maximum atom distance is 3.4898Å 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 126.463
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.658 C1 C2 H6 109.574
C1 C2 H7 109.574 C2 C1 H4 114.268
S3 C1 H4 119.269 H5 C2 H6 109.758
H5 C2 H7 109.758 H6 C2 H7 106.379

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