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Geometry for C2H4S (Thiirane) 1A1 C2V

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

B2PLYP=FULLultrafine/6-31G*


Point group is C2v
Atom Internal
x (Å) y (Å) z (Å)
S1 0.0000 0.0000 0.8710
C2 0.0000 0.7403 -0.8008
C3 0.0000 -0.7403 -0.8008
H4 -0.9135 1.2540 -1.0815
H5 0.9135 1.2540 -1.0815
H6 0.9135 -1.2540 -1.0815
H7 -0.9135 -1.2540 -1.0815
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8284 1.8284 2.4938 2.4938 2.4938 2.4938
C2 1.8284 1.4807 1.0849 1.0849 2.2114 2.2114
C3 1.8284 1.4807 2.2114 2.2114 1.0849 1.0849
H4 2.4938 1.0849 2.2114 1.8269 3.1028 2.5080
H5 2.4938 1.0849 2.2114 1.8269 2.5080 3.1028
H6 2.4938 2.2114 1.0849 3.1028 2.5080 1.8269
H7 2.4938 2.2114 1.0849 2.5080 3.1028 1.8269
Maximum atom distance is 3.1028Å 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 66.115 S1 C3 C2 66.115
C2 S1 C3 47.769
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.356 S1 C2 H5 115.356
S1 C3 H6 115.356 S1 C3 H7 115.356
C2 C3 H6 118.259 C2 C3 H7 118.259
C3 C2 H4 118.259 C3 C2 H5 118.259
H4 C2 H5 114.697 H6 C3 H7 114.697

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