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Geometry for C2H2O (Oxirene) 1A1 C2V

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

MP2/CEP-31G


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.9690   0.9690 0.0000 0.0000
C2 0.0000 0.6678 -0.5043   -0.5043 0.6678 0.0000
C3 0.0000 -0.6678 -0.5043   -0.5043 -0.6678 0.0000
H4 0.0000 1.6957 -0.8503   -0.8503 1.6957 0.0000
H5 0.0000 -1.6957 -0.8503   -0.8503 -1.6957 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.6175 1.6175 2.4870 2.4870
C2 1.6175 1.3357 1.0845 2.3887
C3 1.6175 1.3357 2.3887 1.0845
H4 2.4870 1.0845 2.3887 3.3913
H5 2.4870 2.3887 1.0845 3.3913
Maximum atom distance is 3.3913Å 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 65.614 O1 C3 C2 65.614
C2 O1 C3 48.772
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 132.994 O1 C3 H5 132.994
C2 C3 H5 161.392 C3 C2 H4 161.392

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