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Geometry for C2H2O (Oxirene) 1A1 C2V

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

QCISD(T)/cc-pVTZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8967   0.8967 0.0000 0.0000
C2 0.0000 0.6376 -0.4649   -0.4649 0.6376 0.0000
C3 0.0000 -0.6376 -0.4649   -0.4649 -0.6376 0.0000
H4 0.0000 1.6542 -0.7979   -0.7979 1.6542 0.0000
H5 0.0000 -1.6542 -0.7979   -0.7979 -1.6542 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.5035 1.5035 2.3682 2.3682
C2 1.5035 1.2751 1.0698 2.3159
C3 1.5035 1.2751 2.3159 1.0698
H4 2.3682 1.0698 2.3159 3.3085
H5 2.3682 2.3159 1.0698 3.3085
Maximum atom distance is 3.3085Å 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 64.909 O1 C3 C2 64.909
C2 O1 C3 50.183
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 133.227 O1 C3 H5 133.227
C2 C3 H5 161.864 C3 C2 H4 161.864

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