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Geometry for C2H2O (Oxirene) 1A1 C2V

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

BLYP/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 0.9131   0.9131 0.0000 0.0000
C2 0.0000 0.6370 -0.4733   -0.4733 0.6370 0.0000
C3 0.0000 -0.6370 -0.4733   -0.4733 -0.6370 0.0000
H4 0.0000 1.6590 -0.8123   -0.8123 1.6590 0.0000
H5 0.0000 -1.6590 -0.8123   -0.8123 -1.6590 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.5257 1.5257 2.3936 2.3936
C2 1.5257 1.2740 1.0767 2.3209
C3 1.5257 1.2740 2.3209 1.0767
H4 2.3936 1.0767 2.3209 3.3179
H5 2.3936 2.3209 1.0767 3.3179
Maximum atom distance is 3.3179Å 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 65.323 O1 C3 C2 65.323
C2 O1 C3 49.355
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 133.030 O1 C3 H5 133.030
C2 C3 H5 161.647 C3 C2 H4 161.647

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