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Geometry for C2H2O (Oxirene) 1A1 C2V

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

B2PLYP=FULLultrafine/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 0.9290   0.9290 0.0000 0.0000
C2 0.0000 0.6490 -0.4696   -0.4696 0.6490 0.0000
C3 0.0000 -0.6490 -0.4696   -0.4696 -0.6490 0.0000
H4 0.0000 1.6522 -0.8981   -0.8981 1.6522 0.0000
H5 0.0000 -1.6522 -0.8981   -0.8981 -1.6522 0.0000
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5
O1 1.5418 1.5418 2.4633 2.4633
C2 1.5418 1.2981 1.0908 2.3408
C3 1.5418 1.2981 2.3408 1.0908
H4 2.4633 1.0908 2.3408 3.3043
H5 2.4633 2.3408 1.0908 3.3043
Maximum atom distance is 3.3043Å 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 65.105 O1 C3 C2 65.105
C2 O1 C3 49.789
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 138.025 O1 C3 H5 138.025
C2 C3 H5 156.870 C3 C2 H4 156.870

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