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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP3=FULL/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8618   0.8618 0.0000 0.0000
C2 0.0000 0.7394 -0.7933   -0.7933 0.7394 0.0000
C3 0.0000 -0.7394 -0.7933   -0.7933 -0.7394 0.0000
H4 -0.9089 1.2416 -1.0672   -1.0672 1.2416 -0.9089
H5 0.9089 1.2416 -1.0672   -1.0672 1.2416 0.9089
H6 0.9089 -1.2416 -1.0672   -1.0672 -1.2416 0.9089
H7 -0.9089 -1.2416 -1.0672   -1.0672 -1.2416 -0.9089
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8128 1.8128 2.4676 2.4676 2.4676 2.4676
C2 1.8128 1.4787 1.0740 1.0740 2.1967 2.1967
C3 1.8128 1.4787 2.1967 2.1967 1.0740 1.0740
H4 2.4676 1.0740 2.1967 1.8178 3.0775 2.4833
H5 2.4676 1.0740 2.1967 1.8178 2.4833 3.0775
H6 2.4676 2.1967 1.0740 3.0775 2.4833 1.8178
H7 2.4676 2.1967 1.0740 2.4833 3.0775 1.8178
Maximum atom distance is 3.0775Å 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 65.929 S1 C3 C2 65.929
C2 S1 C3 48.141
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.061 S1 C2 H5 115.061
S1 C3 H6 115.061 S1 C3 H7 115.061
C2 C3 H6 117.884 C2 C3 H7 117.884
C3 C2 H4 117.884 C3 C2 H5 117.884
H4 C2 H5 115.626 H6 C3 H7 115.626

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