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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

B1B95/aug-cc-pVDZ


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6218 0.0000   0.3521 -0.5125 0.0000
C2 -1.4819 0.7160 0.0000   1.6268 0.2489 0.0000
S3 0.8714 -0.7447 0.0000   -1.1399 0.1204 0.0000
H4 0.5273 1.5844 0.0000   0.4625 -1.6045 0.0000
H5 -1.9492 -0.2710 0.0000   1.4531 1.3271 0.0000
H6 -1.8148 1.2873 0.8784   2.2248 -0.0335 0.8784
H7 -1.8148 1.2873 -0.8784   2.2248 -0.0335 -0.8784
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4848 1.6207 1.0976 2.1439 2.1232 2.1232
C2 1.4848 2.7697 2.1888 1.0921 1.0995 1.0995
S3 1.6207 2.7697 2.3544 2.8601 3.4809 3.4809
H4 1.0976 2.1888 2.3544 3.0944 2.5190 2.5190
H5 2.1439 1.0921 2.8601 3.0944 1.7939 1.7939
H6 2.1232 1.0995 3.4809 2.5190 1.7939 1.7568
H7 2.1232 1.0995 3.4809 2.5190 1.7939 1.7568
Maximum atom distance is 3.4809Å 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 126.165
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.697 C1 C2 H6 109.585
C1 C2 H7 109.585 C2 C1 H4 115.074
S3 C1 H4 118.761 H5 C2 H6 109.880
H5 C2 H7 109.880 H6 C2 H7 106.056

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