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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

CCSD(T)/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 0.8543   0.8543 0.0000 0.0000
C2 0.0000 0.7349 -0.3721   -0.3721 0.0000 0.7349
C3 0.0000 -0.7349 -0.3721   -0.3721 0.0000 -0.7349
H4 0.9207 1.2696 -0.5922   -0.5922 0.9207 1.2696
H5 -0.9207 1.2696 -0.5922   -0.5922 -0.9207 1.2696
H6 -0.9207 -1.2696 -0.5922   -0.5922 -0.9207 -1.2696
H7 0.9207 -1.2696 -0.5922   -0.5922 0.9207 -1.2696
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4298 1.4298 2.1335 2.1335 2.1335 2.1335
C2 1.4298 1.4698 1.0872 1.0872 2.2168 2.2168
C3 1.4298 1.4698 2.2168 2.2168 1.0872 1.0872
H4 2.1335 1.0872 2.2168 1.8414 3.1366 2.5392
H5 2.1335 1.0872 2.2168 1.8414 2.5392 3.1366
H6 2.1335 2.2168 1.0872 3.1366 2.5392 1.8414
H7 2.1335 2.2168 1.0872 2.5392 3.1366 1.8414
Maximum atom distance is 3.1366Å 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 59.069 O1 C3 C2 59.069
C2 O1 C3 61.861
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.242 O1 C2 H5 115.242
O1 C3 H6 115.242 O1 C3 H7 115.242
C2 C3 H6 119.460 C2 C3 H7 119.460
C3 C2 H4 119.460 C3 C2 H5 119.460
H4 C2 H5 115.740 H6 C3 H7 115.740

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