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Geometry for C2H4S (Thiirane) 1A1 C2V

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

PBEPBE/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8735   0.8735 0.0000 0.0000
C2 0.0000 0.7430 -0.8038   -0.8038 0.7430 0.0000
C3 0.0000 -0.7430 -0.8038   -0.8038 -0.7430 0.0000
H4 -0.9208 1.2618 -1.0825   -1.0825 1.2618 -0.9208
H5 0.9208 1.2618 -1.0825   -1.0825 1.2618 0.9208
H6 0.9208 -1.2618 -1.0825   -1.0825 -1.2618 0.9208
H7 -0.9208 -1.2618 -1.0825   -1.0825 -1.2618 -0.9208
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8345 1.8345 2.5032 2.5032 2.5032 2.5032
C2 1.8345 1.4860 1.0930 1.0930 2.2237 2.2237
C3 1.8345 1.4860 2.2237 2.2237 1.0930 1.0930
H4 2.5032 1.0930 2.2237 1.8416 3.1242 2.5237
H5 2.5032 1.0930 2.2237 1.8416 2.5237 3.1242
H6 2.5032 2.2237 1.0930 3.1242 2.5237 1.8416
H7 2.5032 2.2237 1.0930 2.5237 3.1242 1.8416
Maximum atom distance is 3.1242Å 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 66.108 S1 C3 C2 66.108
C2 S1 C3 47.784
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.172 S1 C2 H5 115.172
S1 C3 H6 115.172 S1 C3 H7 115.172
C2 C3 H6 118.339 C2 C3 H7 118.339
C3 C2 H4 118.339 C3 C2 H5 118.339
H4 C2 H5 114.794 H6 C3 H7 114.794

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