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Geometry for CH3CHS (Thioacetaldehyde) 1A' C1

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

B97D3/6-31G*


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6248 0.0000   -0.3579 0.5122 0.0000
C2 -1.4945 0.7241 0.0000   -1.6398 -0.2625 0.0000
S3 0.8799 -0.7513 0.0000   1.1516 -0.1119 0.0000
H4 0.5195 1.5961 0.0000   -0.4884 1.6059 0.0000
H5 -1.9701 -0.2632 0.0000   -1.4642 -1.3442 0.0000
H6 -1.8301 1.2976 0.8817   -2.2434 0.0154 0.8817
H7 -1.8301 1.2976 -0.8817   -2.2434 0.0154 -0.8817
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4978 1.6334 1.1015 2.1610 2.1400 2.1400
C2 1.4978 2.7955 2.1947 1.0959 1.1041 1.1041
S3 1.6334 2.7955 2.3749 2.8915 3.5100 3.5100
H4 1.1015 2.1947 2.3749 3.1073 2.5274 2.5274
H5 2.1610 1.0959 2.8915 3.1073 1.7981 1.7981
H6 2.1400 1.1041 3.5100 2.5274 1.7981 1.7635
H7 2.1400 1.1041 3.5100 2.5274 1.7981 1.7635
Maximum atom distance is 3.5100Å 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 126.395
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.922 C1 C2 H6 109.741
C1 C2 H7 109.741 C2 C1 H4 114.341
S3 C1 H4 119.264 H5 C2 H6 109.634
H5 C2 H7 109.634 H6 C2 H7 105.994

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