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Geometry for C2H4S (Thiirane) 1A1 C2V

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

M06-2X/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 0.8628   0.8628 0.0000 0.0000
C2 0.0000 0.7406 -0.7926   -0.7926 0.7406 0.0000
C3 0.0000 -0.7406 -0.7926   -0.7926 -0.7406 0.0000
H4 -0.9153 1.2521 -1.0732   -1.0732 1.2521 -0.9153
H5 0.9153 1.2521 -1.0732   -1.0732 1.2521 0.9153
H6 0.9153 -1.2521 -1.0732   -1.0732 -1.2521 0.9153
H7 -0.9153 -1.2521 -1.0732   -1.0732 -1.2521 -0.9153
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.8135 1.8135 2.4806 2.4806 2.4806 2.4806
C2 1.8135 1.4811 1.0854 1.0854 2.2107 2.2107
C3 1.8135 1.4811 2.2107 2.2107 1.0854 1.0854
H4 2.4806 1.0854 2.2107 1.8305 3.1019 2.5042
H5 2.4806 1.0854 2.2107 1.8305 2.5042 3.1019
H6 2.4806 2.2107 1.0854 3.1019 2.5042 1.8305
H7 2.4806 2.2107 1.0854 2.5042 3.1019 1.8305
Maximum atom distance is 3.1019Å 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 65.898 S1 C3 C2 65.898
C2 S1 C3 48.205
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 115.367 S1 C2 H5 115.367
S1 C3 H6 115.367 S1 C3 H7 115.367
C2 C3 H6 118.117 C2 C3 H7 118.117
C3 C2 H4 118.117 C3 C2 H5 118.117
H4 C2 H5 114.970 H6 C3 H7 114.970

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