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Geometry for C2H4S (Thiirane) 1A1 C2V

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

BLYP/6-31G**


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.8878   0.8878 0.0000 0.0000
C2 0.0000 0.7451 -0.8191   -0.8191 0.7451 0.0000
C3 0.0000 -0.7451 -0.8191   -0.8191 -0.7451 0.0000
H4 -0.9207 1.2669 -1.0939   -1.0939 1.2669 -0.9207
H5 0.9207 1.2669 -1.0939   -1.0939 1.2669 0.9207
H6 0.9207 -1.2669 -1.0939   -1.0939 -1.2669 0.9207
H7 -0.9207 -1.2669 -1.0939   -1.0939 -1.2669 -0.9207
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8624 1.8624 2.5258 2.5258 2.5258 2.5258
C2 1.8624 1.4903 1.0934 1.0934 2.2297 2.2297
C3 1.8624 1.4903 2.2297 2.2297 1.0934 1.0934
H4 2.5258 1.0934 2.2297 1.8414 3.1322 2.5338
H5 2.5258 1.0934 2.2297 1.8414 2.5338 3.1322
H6 2.5258 2.2297 1.0934 3.1322 2.5338 1.8414
H7 2.5258 2.2297 1.0934 2.5338 3.1322 1.8414
Maximum atom distance is 3.1322Å 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 66.416 S1 C3 C2 66.416
C2 S1 C3 47.168
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 114.915 S1 C2 H5 114.915
S1 C3 H6 114.915 S1 C3 H7 114.915
C2 C3 H6 118.502 C2 C3 H7 118.502
C3 C2 H4 118.502 C3 C2 H5 118.502
H4 C2 H5 114.723 H6 C3 H7 114.723

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