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Geometry for C2H2O (Oxirene) 1A1 C2V

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

CID/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8816   0.8816 0.0000 0.0000
C2 0.0000 0.6303 -0.4576   -0.4576 0.6303 0.0000
C3 0.0000 -0.6303 -0.4576   -0.4576 -0.6303 0.0000
H4 0.0000 1.6480 -0.7807   -0.7807 1.6480 0.0000
H5 0.0000 -1.6480 -0.7807   -0.7807 -1.6480 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.4801 1.4801 2.3408 2.3408
C2 1.4801 1.2606 1.0678 2.3012
C3 1.4801 1.2606 2.3012 1.0678
H4 2.3408 1.0678 2.3012 3.2961
H5 2.3408 2.3012 1.0678 3.2961
Maximum atom distance is 3.2961Å 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 64.795 O1 C3 C2 64.795
C2 O1 C3 50.410
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 132.819 O1 C3 H5 132.819
C2 C3 H5 162.386 C3 C2 H4 162.386

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