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Geometry for C2H4S (Thiirane) 1A1 C2V

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

QCISD/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 0.9329   0.9329 0.0000 0.0000
C2 0.0000 0.7454 -0.8687   -0.8687 0.7454 0.0000
C3 0.0000 -0.7454 -0.8687   -0.8687 -0.7454 0.0000
H4 -0.9207 1.2690 -1.1253   -1.1253 1.2690 -0.9207
H5 0.9207 1.2690 -1.1253   -1.1253 1.2690 0.9207
H6 0.9207 -1.2690 -1.1253   -1.1253 -1.2690 0.9207
H7 -0.9207 -1.2690 -1.1253   -1.1253 -1.2690 -0.9207
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9497 1.9497 2.5873 2.5873 2.5873 2.5873
C2 1.9497 1.4909 1.0898 1.0898 2.2297 2.2297
C3 1.9497 1.4909 2.2297 2.2297 1.0898 1.0898
H4 2.5873 1.0898 2.2297 1.8414 3.1356 2.5379
H5 2.5873 1.0898 2.2297 1.8414 2.5379 3.1356
H6 2.5873 2.2297 1.0898 3.1356 2.5379 1.8414
H7 2.5873 2.2297 1.0898 2.5379 3.1356 1.8414
Maximum atom distance is 3.1356Å 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 67.522 S1 C3 C2 67.522
C2 S1 C3 44.957
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.655 S1 C2 H5 113.655
S1 C3 H6 113.655 S1 C3 H7 113.655
C2 C3 H6 118.711 C2 C3 H7 118.711
C3 C2 H4 118.711 C3 C2 H5 118.711
H4 C2 H5 115.314 H6 C3 H7 115.314

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