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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/daug-cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.9093   0.9093 0.0000 0.0000
C2 0.0000 0.6457 -0.4714   -0.4714 0.6457 0.0000
C3 0.0000 -0.6457 -0.4714   -0.4714 -0.6457 0.0000
H4 0.0000 1.6716 -0.8088   -0.8088 1.6716 0.0000
H5 0.0000 -1.6716 -0.8088   -0.8088 -1.6716 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.5242 1.5242 2.3971 2.3971
C2 1.5242 1.2915 1.0800 2.3418
C3 1.5242 1.2915 2.3418 1.0800
H4 2.3971 1.0800 2.3418 3.3433
H5 2.3971 2.3418 1.0800 3.3433
Maximum atom distance is 3.3433Å 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 64.935 O1 C3 C2 64.935
C2 O1 C3 50.130
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 133.268 O1 C3 H5 133.268
C2 C3 H5 161.796 C3 C2 H4 161.796

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