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Geometry for C2H2O (Oxirene) 1A1 C2V

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

PBE1PBE/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 0.8844   0.8844 0.0000 0.0000
C2 0.0000 0.6312 -0.4582   -0.4582 0.6312 0.0000
C3 0.0000 -0.6312 -0.4582   -0.4582 -0.6312 0.0000
H4 0.0000 1.6507 -0.7886   -0.7886 1.6507 0.0000
H5 0.0000 -1.6507 -0.7886   -0.7886 -1.6507 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.4836 1.4836 2.3503 2.3503
C2 1.4836 1.2624 1.0717 2.3057
C3 1.4836 1.2624 2.3057 1.0717
H4 2.3503 1.0717 2.3057 3.3015
H5 2.3503 2.3057 1.0717 3.3015
Maximum atom distance is 3.3015Å 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 64.820 O1 C3 C2 64.820
C2 O1 C3 50.360
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 133.137 O1 C3 H5 133.137
C2 C3 H5 162.043 C3 C2 H4 162.043

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