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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

B97D3/cc-pVDZ


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8601   0.0000 0.8601 0.0000
C2 0.0000 0.7366 -0.3726   0.7366 -0.3726 0.0000
C3 0.0000 -0.7366 -0.3726   -0.7366 -0.3726 0.0000
H4 0.9308 1.2796 -0.6023   1.2796 -0.6023 0.9308
H5 -0.9308 1.2796 -0.6023   1.2796 -0.6023 -0.9308
H6 -0.9308 -1.2796 -0.6023   -1.2796 -0.6023 -0.9308
H7 0.9308 -1.2796 -0.6023   -1.2796 -0.6023 0.9308
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4361 1.4361 2.1546 2.1546 2.1546 2.1546
C2 1.4361 1.4733 1.1018 1.1018 2.2325 2.2325
C3 1.4361 1.4733 2.2325 2.2325 1.1018 1.1018
H4 2.1546 1.1018 2.2325 1.8615 3.1645 2.5591
H5 2.1546 1.1018 2.2325 1.8615 2.5591 3.1645
H6 2.1546 2.2325 1.1018 3.1645 2.5591 1.8615
H7 2.1546 2.2325 1.1018 2.5591 3.1645 1.8615
Maximum atom distance is 3.1645Å 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 59.139 O1 C3 C2 59.139
C2 O1 C3 61.721
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.578 O1 C2 H5 115.578
O1 C3 H6 115.578 O1 C3 H7 115.578
C2 C3 H6 119.524 C2 C3 H7 119.524
C3 C2 H4 119.524 C3 C2 H5 119.524
H4 C2 H5 115.303 H6 C3 H7 115.303

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