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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

MP2/6-31+G**


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6242 0.0000   0.3532 -0.5147 0.0000
C2 -1.4930 0.7081 0.0000   1.6317 0.2609 0.0000
S3 0.8780 -0.7390 0.0000   -1.1421 0.1125 0.0000
H4 0.5167 1.5844 0.0000   0.4704 -1.5988 0.0000
H5 -1.9438 -0.2814 0.0000   1.4435 1.3318 0.0000
H6 -1.8316 1.2631 0.8780   2.2249 -0.0051 0.8780
H7 -1.8316 1.2631 -0.8780   2.2249 -0.0051 -0.8780
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4954 1.6215 1.0904 2.1444 2.1293 2.1293
C2 1.4954 2.7778 2.1925 1.0873 1.0925 1.0925
S3 1.6215 2.7778 2.3513 2.8587 3.4816 3.4816
H4 1.0904 2.1925 2.3513 3.0879 2.5276 2.5276
H5 2.1444 1.0873 2.8587 3.0879 1.7801 1.7801
H6 2.1293 1.0925 3.4816 2.5276 1.7801 1.7560
H7 2.1293 1.0925 3.4816 2.5276 1.7801 1.7560
Maximum atom distance is 3.4816Å 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 126.004
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.273 C1 C2 H6 109.753
C1 C2 H7 109.753 C2 C1 H4 115.069
S3 C1 H4 118.926 H5 C2 H6 109.499
H5 C2 H7 109.499 H6 C2 H7 106.965

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