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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

B2PLYP=FULLultrafine/daug-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 0.8561   0.8561 0.0000 0.0000
C2 0.0000 0.7303 -0.3746   -0.3746 0.0000 0.7303
C3 0.0000 -0.7303 -0.3746   -0.3746 0.0000 -0.7303
H4 0.9172 1.2622 -0.5884   -0.5884 0.9172 1.2622
H5 -0.9172 1.2622 -0.5884   -0.5884 -0.9172 1.2622
H6 -0.9172 -1.2622 -0.5884   -0.5884 -0.9172 -1.2622
H7 0.9172 -1.2622 -0.5884   -0.5884 0.9172 -1.2622
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4311 1.4311 2.1263 2.1263 2.1263 2.1263
C2 1.4311 1.4607 1.0816 1.0816 2.2039 2.2039
C3 1.4311 1.4607 2.2039 2.2039 1.0816 1.0816
H4 2.1263 1.0816 2.2039 1.8344 3.1206 2.5245
H5 2.1263 1.0816 2.2039 1.8344 2.5245 3.1206
H6 2.1263 2.2039 1.0816 3.1206 2.5245 1.8344
H7 2.1263 2.2039 1.0816 2.5245 3.1206 1.8344
Maximum atom distance is 3.1206Å 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 59.314 O1 C3 C2 59.314
C2 O1 C3 61.372
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 114.895 O1 C2 H5 114.895
O1 C3 H6 114.895 O1 C3 H7 114.895
C2 C3 H6 119.458 C2 C3 H7 119.458
C3 C2 H4 119.458 C3 C2 H5 119.458
H4 C2 H5 115.987 H6 C3 H7 115.987

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