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Geometry for C2H2O (Oxirene) 1A1 C2V

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

B2PLYP=FULLultrafine/daug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.9040   0.9040 0.0000 0.0000
C2 0.0000 0.6390 -0.4688   -0.4688 0.6390 0.0000
C3 0.0000 -0.6390 -0.4688   -0.4688 -0.6390 0.0000
H4 0.0000 1.6619 -0.8034   -0.8034 1.6619 0.0000
H5 0.0000 -1.6619 -0.8034   -0.8034 -1.6619 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.5142 1.5142 2.3826 2.3826
C2 1.5142 1.2780 1.0763 2.3251
C3 1.5142 1.2780 2.3251 1.0763
H4 2.3826 1.0763 2.3251 3.3239
H5 2.3826 2.3251 1.0763 3.3239
Maximum atom distance is 3.3239Å 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 65.039 O1 C3 C2 65.039
C2 O1 C3 49.922
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 133.074 O1 C3 H5 133.074
C2 C3 H5 161.887 C3 C2 H4 161.887

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