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Geometry for C2H4O (Ethylene oxide) 1A1 C2V

1910171554
InChI=1S/C2H4O/c1-2-3-1/h1-2H2 INChIKey=IAYPIBMASNFSPL-UHFFFAOYSA-N

BLYP/6-31G(2df,p)


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8653   0.0000 0.8653 0.0000
C2 0.0000 0.7396 -0.3761   0.7396 -0.3761 0.0000
C3 0.0000 -0.7396 -0.3761   -0.7396 -0.3761 0.0000
H4 0.9257 1.2822 -0.6024   1.2822 -0.6024 0.9257
H5 -0.9257 1.2822 -0.6024   1.2822 -0.6024 -0.9257
H6 -0.9257 -1.2822 -0.6024   -1.2822 -0.6024 -0.9257
H7 0.9257 -1.2822 -0.6024   -1.2822 -0.6024 0.9257
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4450 1.4450 2.1575 2.1575 2.1575 2.1575
C2 1.4450 1.4793 1.0966 1.0966 2.2351 2.2351
C3 1.4450 1.4793 2.2351 2.2351 1.0966 1.0966
H4 2.1575 1.0966 2.2351 1.8514 3.1628 2.5643
H5 2.1575 1.0966 2.2351 1.8514 2.5643 3.1628
H6 2.1575 2.2351 1.0966 3.1628 2.5643 1.8514
H7 2.1575 2.2351 1.0966 2.5643 3.1628 1.8514
Maximum atom distance is 3.1628Å between atoms H4 and H6.
picture of Ethylene oxide
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 C3 59.212 O1 C3 C2 59.212
C2 O1 C3 61.575
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.501 O1 C2 H5 115.501
O1 C3 H6 115.501 O1 C3 H7 115.501
C2 C3 H6 119.652 C2 C3 H7 119.652
C3 C2 H4 119.652 C3 C2 H5 119.652
H4 C2 H5 115.169 H6 C3 H7 115.169

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