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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

HF/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 0.8326   0.0000 0.8326 0.0000
C2 0.0000 0.7251 -0.3633   0.7251 -0.3633 0.0000
C3 0.0000 -0.7251 -0.3633   -0.7251 -0.3633 0.0000
H4 0.9086 1.2593 -0.5752   1.2593 -0.5752 0.9086
H5 -0.9086 1.2593 -0.5752   1.2593 -0.5752 -0.9086
H6 -0.9086 -1.2593 -0.5752   -1.2593 -0.5752 -0.9086
H7 0.9086 -1.2593 -0.5752   -1.2593 -0.5752 0.9086
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.3986 1.3986 2.0961 2.0961 2.0961 2.0961
C2 1.3986 1.4502 1.0751 1.0751 2.1928 2.1928
C3 1.3986 1.4502 2.1928 2.1928 1.0751 1.0751
H4 2.0961 1.0751 2.1928 1.8172 3.1058 2.5187
H5 2.0961 1.0751 2.1928 1.8172 2.5187 3.1058
H6 2.0961 2.1928 1.0751 3.1058 2.5187 1.8172
H7 2.0961 2.1928 1.0751 2.5187 3.1058 1.8172
Maximum atom distance is 3.1058Å 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 58.772 O1 C3 C2 58.772
C2 O1 C3 62.455
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.224 O1 C2 H5 115.224
O1 C3 H6 115.224 O1 C3 H7 115.224
C2 C3 H6 119.796 C2 C3 H7 119.796
C3 C2 H4 119.796 C3 C2 H5 119.796
H4 C2 H5 115.370 H6 C3 H7 115.370

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