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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

MP2/aug-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 0.8592   0.8592 0.0000 0.0000
C2 0.0000 0.7313 -0.3765   -0.3765 0.0000 0.7313
C3 0.0000 -0.7313 -0.3765   -0.3765 0.0000 -0.7313
H4 0.9196 1.2602 -0.5889   -0.5889 0.9196 1.2602
H5 -0.9196 1.2602 -0.5889   -0.5889 -0.9196 1.2602
H6 -0.9196 -1.2602 -0.5889   -0.5889 -0.9196 -1.2602
H7 0.9196 -1.2602 -0.5889   -0.5889 0.9196 -1.2602
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4358 1.4358 2.1286 2.1286 2.1286 2.1286
C2 1.4358 1.4625 1.0819 1.0819 2.2038 2.2038
C3 1.4358 1.4625 2.2038 2.2038 1.0819 1.0819
H4 2.1286 1.0819 2.2038 1.8391 3.1201 2.5205
H5 2.1286 1.0819 2.2038 1.8391 2.5205 3.1201
H6 2.1286 2.2038 1.0819 3.1201 2.5205 1.8391
H7 2.1286 2.2038 1.0819 2.5205 3.1201 1.8391
Maximum atom distance is 3.1201Å 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 59.382 O1 C3 C2 59.382
C2 O1 C3 61.235
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 114.710 O1 C2 H5 114.710
O1 C3 H6 114.710 O1 C3 H7 114.710
C2 C3 H6 119.271 C2 C3 H7 119.271
C3 C2 H4 119.271 C3 C2 H5 119.271
H4 C2 H5 116.407 H6 C3 H7 116.407

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