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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

PBEPBE/6-311G*


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
O1 0.0000 0.0000 0.8590   0.0000 0.8590 0.0000
C2 0.0000 0.7358 -0.3738   0.7358 -0.3738 0.0000
C3 0.0000 -0.7358 -0.3738   -0.7358 -0.3738 0.0000
H4 0.9277 1.2773 -0.5966   1.2773 -0.5966 0.9277
H5 -0.9277 1.2773 -0.5966   1.2773 -0.5966 -0.9277
H6 -0.9277 -1.2773 -0.5966   -1.2773 -0.5966 -0.9277
H7 0.9277 -1.2773 -0.5966   -1.2773 -0.5966 0.9277
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4358 1.4358 2.1473 2.1473 2.1473 2.1473
C2 1.4358 1.4717 1.0970 1.0970 2.2278 2.2278
C3 1.4358 1.4717 2.2278 2.2278 1.0970 1.0970
H4 2.1473 1.0970 2.2278 1.8553 3.1573 2.5547
H5 2.1473 1.0970 2.2278 1.8553 2.5547 3.1573
H6 2.1473 2.2278 1.0970 3.1573 2.5547 1.8553
H7 2.1473 2.2278 1.0970 2.5547 3.1573 1.8553
Maximum atom distance is 3.1573Å 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 59.169 O1 C3 C2 59.169
C2 O1 C3 61.662
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.298 O1 C2 H5 115.298
O1 C3 H6 115.298 O1 C3 H7 115.298
C2 C3 H6 119.578 C2 C3 H7 119.578
C3 C2 H4 119.578 C3 C2 H5 119.578
H4 C2 H5 115.483 H6 C3 H7 115.483

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