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Geometry for C2H4S (Thiirane) 1A1 C2V

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

PBEPBE/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 0.9265   0.9265 0.0000 0.0000
C2 0.0000 0.7470 -0.8644   -0.8644 0.7470 0.0000
C3 0.0000 -0.7470 -0.8644   -0.8644 -0.7470 0.0000
H4 -0.9292 1.2645 -1.1127   -1.1127 1.2645 -0.9292
H5 0.9292 1.2645 -1.1127   -1.1127 1.2645 0.9292
H6 0.9292 -1.2645 -1.1127   -1.1127 -1.2645 0.9292
H7 -0.9292 -1.2645 -1.1127   -1.1127 -1.2645 -0.9292
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9404 1.9404 2.5731 2.5731 2.5731 2.5731
C2 1.9404 1.4939 1.0922 1.0922 2.2296 2.2296
C3 1.9404 1.4939 2.2296 2.2296 1.0922 1.0922
H4 2.5731 1.0922 2.2296 1.8584 3.1384 2.5290
H5 2.5731 1.0922 2.2296 1.8584 2.5290 3.1384
H6 2.5731 2.2296 1.0922 3.1384 2.5290 1.8584
H7 2.5731 2.2296 1.0922 2.5290 3.1384 1.8584
Maximum atom distance is 3.1384Å 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 67.360 S1 C3 C2 67.360
C2 S1 C3 45.280
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.092 S1 C2 H5 113.092
S1 C3 H6 113.092 S1 C3 H7 113.092
C2 C3 H6 118.285 C2 C3 H7 118.285
C3 C2 H4 118.285 C3 C2 H5 118.285
H4 C2 H5 116.588 H6 C3 H7 116.588

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