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Geometry for C2H2O (Oxirene) 1A1 C2V

1910171554
InChI=1S/C2H2O/c1-2-3-1/h1-2H INChIKey=BJEYNNFDAPPGST-UHFFFAOYSA-N

B1B95/aug-cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8811   0.8811 0.0000 0.0000
C2 0.0000 0.6290 -0.4564   -0.4564 0.6290 0.0000
C3 0.0000 -0.6290 -0.4564   -0.4564 -0.6290 0.0000
H4 0.0000 1.6444 -0.7856   -0.7856 1.6444 0.0000
H5 0.0000 -1.6444 -0.7856   -0.7856 -1.6444 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.4780 1.4780 2.3413 2.3413
C2 1.4780 1.2580 1.0674 2.2971
C3 1.4780 1.2580 2.2971 1.0674
H4 2.3413 1.0674 2.2971 3.2888
H5 2.3413 2.2971 1.0674 3.2888
Maximum atom distance is 3.2888Å between atoms H4 and H5.
picture of Oxirene
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C3 64.813 O1 C3 C2 64.813
C2 O1 C3 50.374
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 133.151 O1 C3 H5 133.151
C2 C3 H5 162.036 C3 C2 H4 162.036

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