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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/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 0.8923   0.8923 0.0000 0.0000
C2 0.0000 0.7532 -0.8230   -0.8230 0.7532 0.0000
C3 0.0000 -0.7532 -0.8230   -0.8230 -0.7532 0.0000
H4 -0.9231 1.2657 -1.1002   -1.1002 1.2657 -0.9231
H5 0.9231 1.2657 -1.1002   -1.1002 1.2657 0.9231
H6 0.9231 -1.2657 -1.1002   -1.1002 -1.2657 0.9231
H7 -0.9231 -1.2657 -1.1002   -1.1002 -1.2657 -0.9231
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8735 1.8735 2.5346 2.5346 2.5346 2.5346
C2 1.8735 1.5065 1.0916 1.0916 2.2372 2.2372
C3 1.8735 1.5065 2.2372 2.2372 1.0916 1.0916
H4 2.5346 1.0916 2.2372 1.8462 3.1331 2.5314
H5 2.5346 1.0916 2.2372 1.8462 2.5314 3.1331
H6 2.5346 2.2372 1.0916 3.1331 2.5314 1.8462
H7 2.5346 2.2372 1.0916 2.5314 3.1331 1.8462
Maximum atom distance is 3.1331Å 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 66.293 S1 C3 C2 66.293
C2 S1 C3 47.413
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 114.911 S1 C2 H5 114.911
S1 C3 H6 114.911 S1 C3 H7 114.911
C2 C3 H6 118.000 C2 C3 H7 118.000
C3 C2 H4 118.000 C3 C2 H5 118.000
H4 C2 H5 115.485 H6 C3 H7 115.485

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