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Geometry for C2H4S (Thiirane) 1A1 C2V

1910171554
InChI=1S/C2H4S/c1-2-3-1/h1-2H2 INChIKey=VOVUARRWDCVURC-UHFFFAOYSA-N

MP2/CEP-121G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 1.2548   1.2548 0.0000 0.0000
C2 0.0000 0.7549 -0.5416   -0.5416 0.7549 0.0000
C3 0.0000 -0.7549 -0.5416   -0.5416 -0.7549 0.0000
H4 -0.9262 1.2706 -0.7989   -0.7989 1.2706 -0.9262
H5 0.9262 1.2706 -0.7989   -0.7989 1.2706 0.9262
H6 0.9262 -1.2706 -0.7989   -0.7989 -1.2706 0.9262
H7 -0.9262 -1.2706 -0.7989   -0.7989 -1.2706 -0.9262
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9486 1.9486 2.5864 2.5864 2.5864 2.5864
C2 1.9486 1.5098 1.0908 1.0908 2.2420 2.2420
C3 1.9486 1.5098 2.2420 2.2420 1.0908 1.0908
H4 2.5864 1.0908 2.2420 1.8523 3.1447 2.5412
H5 2.5864 1.0908 2.2420 1.8523 2.5412 3.1447
H6 2.5864 2.2420 1.0908 3.1447 2.5412 1.8523
H7 2.5864 2.2420 1.0908 2.5412 3.1447 1.8523
Maximum atom distance is 3.1447Å between atoms H4 and H6.
picture of Thiirane
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 C3 67.206 S1 C3 C2 67.206
C2 S1 C3 45.588
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.613 S1 C2 H5 113.613
S1 C3 H6 113.613 S1 C3 H7 113.613
C2 C3 H6 118.214 C2 C3 H7 118.214
C3 C2 H4 118.214 C3 C2 H5 118.214
H4 C2 H5 116.217 H6 C3 H7 116.217

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