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Geometry for C2H4S (Thiirane) 1A1 C2V

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

MP2/3-21G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9365   0.9365 0.0000 0.0000
C2 0.0000 0.7442 -0.8744   -0.8744 0.7442 0.0000
C3 0.0000 -0.7442 -0.8744   -0.8744 -0.7442 0.0000
H4 -0.9201 1.2577 -1.1229   -1.1229 1.2577 -0.9201
H5 0.9201 1.2577 -1.1229   -1.1229 1.2577 0.9201
H6 0.9201 -1.2577 -1.1229   -1.1229 -1.2577 0.9201
H7 -0.9201 -1.2577 -1.1229   -1.1229 -1.2577 -0.9201
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9578 1.9578 2.5825 2.5825 2.5825 2.5825
C2 1.9578 1.4883 1.0826 1.0826 2.2172 2.2172
C3 1.9578 1.4883 2.2172 2.2172 1.0826 1.0826
H4 2.5825 1.0826 2.2172 1.8402 3.1167 2.5154
H5 2.5825 1.0826 2.2172 1.8402 2.5154 3.1167
H6 2.5825 2.2172 1.0826 3.1167 2.5154 1.8402
H7 2.5825 2.2172 1.0826 2.5154 3.1167 1.8402
Maximum atom distance is 3.1167Å 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 67.661 S1 C3 C2 67.661
C2 S1 C3 44.679
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.118 S1 C2 H5 113.118
S1 C3 H6 113.118 S1 C3 H7 113.118
C2 C3 H6 118.318 C2 C3 H7 118.318
C3 C2 H4 118.318 C3 C2 H5 118.318
H4 C2 H5 116.396 H6 C3 H7 116.396

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