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Geometry for (Thioacetaldehyde) 1A' C1

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

M06-2X/3-21G


Point group is Cs
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
C1 0.0000 0.6430 0.0000   0.3625 -0.5311 0.0000
C2 -1.4940 0.7281 0.0000   1.6444 0.2410 0.0000
S3 0.8780 -0.7587 0.0000   -1.1529 0.1316 0.0000
H4 0.5257 1.5979 0.0000   0.4667 -1.6161 0.0000
H5 -1.9458 -0.2648 0.0000   1.4578 1.3157 0.0000
H6 -1.8320 1.2896 0.8816   2.2401 -0.0323 0.8816
H7 -1.8320 1.2896 -0.8816   2.2401 -0.0323 -0.8816
Atom - Atom Distances (Å)
  C1 C2 S3 H4 H5 H6 H7
C1 1.4964 1.6540 1.0900 2.1472 2.1334 2.1334
C2 1.4964 2.7994 2.1991 1.0908 1.0985 1.0985
S3 1.6540 2.7994 2.3828 2.8666 3.5095 3.5095
H4 1.0900 2.1991 2.3828 3.0948 2.5359 2.5359
H5 2.1472 1.0908 2.8666 3.0948 1.7906 1.7906
H6 2.1334 1.0985 3.5095 2.5359 1.7906 1.7631
H7 2.1334 1.0985 3.5095 2.5359 1.7906 1.7631
Maximum atom distance is 3.5095Å 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 125.320
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
C1 C2 H5 111.208 C1 C2 H6 109.647
C1 C2 H7 109.647 C2 C1 H4 115.578
S3 C1 H4 119.102 H5 C2 H6 109.747
H5 C2 H7 109.747 H6 C2 H7 106.741

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