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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

CCSD(T)/aug-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 0.8689   0.0000 0.8689 0.0000
C2 0.0000 0.7412 -0.3812   0.7412 -0.3812 0.0000
C3 0.0000 -0.7412 -0.3812   -0.7412 -0.3812 0.0000
H4 0.9321 1.2795 -0.5943   1.2795 -0.5943 0.9321
H5 -0.9321 1.2795 -0.5943   1.2795 -0.5943 -0.9321
H6 -0.9321 -1.2795 -0.5943   -1.2795 -0.5943 -0.9321
H7 0.9321 -1.2795 -0.5943   -1.2795 -0.5943 0.9321
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4533 1.4533 2.1556 2.1556 2.1556 2.1556
C2 1.4533 1.4825 1.0972 1.0972 2.2355 2.2355
C3 1.4533 1.4825 2.2355 2.2355 1.0972 1.0972
H4 2.1556 1.0972 2.2355 1.8641 3.1660 2.5590
H5 2.1556 1.0972 2.2355 1.8641 2.5590 3.1660
H6 2.1556 2.2355 1.0972 3.1660 2.5590 1.8641
H7 2.1556 2.2355 1.0972 2.5590 3.1660 1.8641
Maximum atom distance is 3.1660Å 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 59.334 O1 C3 C2 59.334
C2 O1 C3 61.332
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 114.660 O1 C2 H5 114.660
O1 C3 H6 114.660 O1 C3 H7 114.660
C2 C3 H6 119.378 C2 C3 H7 119.378
C3 C2 H4 119.378 C3 C2 H5 119.378
H4 C2 H5 116.312 H6 C3 H7 116.312

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