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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 Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
S1 0.0000 0.0000 0.9258   0.9258 0.0000 0.0000
C2 0.0000 0.7393 -0.8632   -0.8632 0.7393 0.0000
C3 0.0000 -0.7393 -0.8632   -0.8632 -0.7393 0.0000
H4 -0.9150 1.2620 -1.1136   -1.1136 1.2620 -0.9150
H5 0.9150 1.2620 -1.1136   -1.1136 1.2620 0.9150
H6 0.9150 -1.2620 -1.1136   -1.1136 -1.2620 0.9150
H7 -0.9150 -1.2620 -1.1136   -1.1136 -1.2620 -0.9150
Atom - Atom Distances (Å)
  S1 C2 C3 H4 H5 H6 H7
S1 1.9357 1.9357 2.5669 2.5669 2.5669 2.5669
C2 1.9357 1.4786 1.0831 1.0831 2.2147 2.2147
C3 1.9357 1.4786 2.2147 2.2147 1.0831 1.0831
H4 2.5669 1.0831 2.2147 1.8299 3.1175 2.5240
H5 2.5669 1.0831 2.2147 1.8299 2.5240 3.1175
H6 2.5669 2.2147 1.0831 3.1175 2.5240 1.8299
H7 2.5669 2.2147 1.0831 2.5240 3.1175 1.8299
Maximum atom distance is 3.1175Å 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 67.546 S1 C3 C2 67.546
C2 S1 C3 44.907
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
S1 C2 H4 113.456 S1 C2 H5 113.456
S1 C3 H6 113.456 S1 C3 H7 113.456
C2 C3 H6 118.854 C2 C3 H7 118.854
C3 C2 H4 118.854 C3 C2 H5 118.854
H4 C2 H5 115.295 H6 C3 H7 115.295

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