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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

MP2=FULL/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6233 0.0000   0.3526 -0.5140 0.0000
C2 -1.4911 0.7082 0.0000   1.6302 0.2595 0.0000
S3 0.8769 -0.7386 0.0000   -1.1410 0.1130 0.0000
H4 0.5163 1.5825 0.0000   0.4695 -1.5971 0.0000
H5 -1.9428 -0.2796 0.0000   1.4440 1.3296 0.0000
H6 -1.8290 1.2630 0.8770   2.2227 -0.0069 0.8770
H7 -1.8290 1.2630 -0.8770   2.2227 -0.0069 -0.8770
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4935 1.6198 1.0894 2.1424 2.1268 2.1268
C2 1.4935 2.7750 2.1895 1.0862 1.0913 1.0913
S3 1.6198 2.7750 2.3490 2.8569 3.4781 3.4781
H4 1.0894 2.1895 2.3490 3.0846 2.5242 2.5242
H5 2.1424 1.0862 2.8569 3.0846 1.7781 1.7781
H6 2.1268 1.0913 3.4781 2.5242 1.7781 1.7539
H7 2.1268 1.0913 3.4781 2.5242 1.7781 1.7539
Maximum atom distance is 3.4781Å 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 126.039
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.315 C1 C2 H6 109.755
C1 C2 H7 109.755 C2 C1 H4 115.028
S3 C1 H4 118.933 H5 C2 H6 109.485
H5 C2 H7 109.485 H6 C2 H7 106.944

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