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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP4=FULL/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9428   0.9428 0.0000 0.0000
C2 0.0000 0.7477 -0.8809   -0.8809 0.7477 0.0000
C3 0.0000 -0.7477 -0.8809   -0.8809 -0.7477 0.0000
H4 -0.9235 1.2636 -1.1285   -1.1285 1.2636 -0.9235
H5 0.9235 1.2636 -1.1285   -1.1285 1.2636 0.9235
H6 0.9235 -1.2636 -1.1285   -1.1285 -1.2636 0.9235
H7 -0.9235 -1.2636 -1.1285   -1.1285 -1.2636 -0.9235
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9711 1.9711 2.5962 2.5962 2.5962 2.5962
C2 1.9711 1.4954 1.0864 1.0864 2.2270 2.2270
C3 1.9711 1.4954 2.2270 2.2270 1.0864 1.0864
H4 2.5962 1.0864 2.2270 1.8471 3.1302 2.5271
H5 2.5962 1.0864 2.2270 1.8471 2.5271 3.1302
H6 2.5962 2.2270 1.0864 3.1302 2.5271 1.8471
H7 2.5962 2.2270 1.0864 2.5271 3.1302 1.8471
Maximum atom distance is 3.1302Å 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 67.708 S1 C3 C2 67.708
C2 S1 C3 44.584
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.015 S1 C2 H5 113.015
S1 C3 H6 113.015 S1 C3 H7 113.015
C2 C3 H6 118.348 C2 C3 H7 118.348
C3 C2 H4 118.348 C3 C2 H5 118.348
H4 C2 H5 116.437 H6 C3 H7 116.437

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