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Geometry for C2H2O (Oxirene) 1A1 C2V

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

CCSD/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8895   0.8895 0.0000 0.0000
C2 0.0000 0.6339 -0.4616   -0.4616 0.6339 0.0000
C3 0.0000 -0.6339 -0.4616   -0.4616 -0.6339 0.0000
H4 0.0000 1.6516 -0.7884   -0.7884 1.6516 0.0000
H5 0.0000 -1.6516 -0.7884   -0.7884 -1.6516 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.4925 1.4925 2.3544 2.3544
C2 1.4925 1.2679 1.0689 2.3088
C3 1.4925 1.2679 2.3088 1.0689
H4 2.3544 1.0689 2.3088 3.3033
H5 2.3544 2.3088 1.0689 3.3033
Maximum atom distance is 3.3033Å 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 64.865 O1 C3 C2 64.865
C2 O1 C3 50.271
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 132.937 O1 C3 H5 132.937
C2 C3 H5 162.199 C3 C2 H4 162.199

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