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Geometry for C2H2O (Oxirene) 1A1 C2V

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

M06-2X/STO-3G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.9138   0.9138 0.0000 0.0000
C2 0.0000 0.6427 -0.4623   -0.4623 0.6427 0.0000
C3 0.0000 -0.6427 -0.4623   -0.4623 -0.6427 0.0000
H4 0.0000 1.6466 -0.8813   -0.8813 1.6466 0.0000
H5 0.0000 -1.6466 -0.8813   -0.8813 -1.6466 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.5188 1.5188 2.4359 2.4359
C2 1.5188 1.2855 1.0878 2.3274
C3 1.5188 1.2855 2.3274 1.0878
H4 2.4359 1.0878 2.3274 3.2932
H5 2.4359 2.3274 1.0878 3.2932
Maximum atom distance is 3.2932Å 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 64.963 O1 C3 C2 64.963
C2 O1 C3 50.073
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 137.692 O1 C3 H5 137.692
C2 C3 H5 157.345 C3 C2 H4 157.345

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