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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

mPW1PW91/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6196 0.0000   0.3473 -0.5131 0.0000
C2 -1.4856 0.7159 0.0000   1.6316 0.2399 0.0000
S3 0.8746 -0.7435 0.0000   -1.1410 0.1255 0.0000
H4 0.5186 1.5832 0.0000   0.4581 -1.6018 0.0000
H5 -1.9562 -0.2676 0.0000   1.4700 1.3182 0.0000
H6 -1.8208 1.2838 0.8775   2.2275 -0.0425 0.8775
H7 -1.8208 1.2838 -0.8775   2.2275 -0.0425 -0.8775
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4888 1.6196 1.0943 2.1480 2.1276 2.1276
C2 1.4888 2.7750 2.1838 1.0903 1.0976 1.0976
S3 1.6196 2.7750 2.3538 2.8705 3.4850 3.4850
H4 1.0943 2.1838 2.3538 3.0903 2.5164 2.5164
H5 2.1480 1.0903 2.8705 3.0903 1.7875 1.7875
H6 2.1276 1.0976 3.4850 2.5164 1.7875 1.7550
H7 2.1276 1.0976 3.4850 2.5164 1.7875 1.7550
Maximum atom distance is 3.4850Å 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 126.394
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.861 C1 C2 H6 109.766
C1 C2 H7 109.766 C2 C1 H4 114.576
S3 C1 H4 119.030 H5 C2 H6 109.568
H5 C2 H7 109.568 H6 C2 H7 106.150

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