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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

QCISD(T)/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 0.8586   0.0000 0.8586 0.0000
C2 0.0000 0.7403 -0.3725   0.7403 -0.3725 0.0000
C3 0.0000 -0.7403 -0.3725   -0.7403 -0.3725 0.0000
H4 0.9309 1.2807 -0.5998   1.2807 -0.5998 0.9309
H5 -0.9309 1.2807 -0.5998   1.2807 -0.5998 -0.9309
H6 -0.9309 -1.2807 -0.5998   -1.2807 -0.5998 -0.9309
H7 0.9309 -1.2807 -0.5998   -1.2807 -0.5998 0.9309
Atom - Atom Distances (Å)
  O1 C2 C3 H4 H5 H6 H7
O1 1.4366 1.4366 2.1526 2.1526 2.1526 2.1526
C2 1.4366 1.4806 1.1001 1.1001 2.2366 2.2366
C3 1.4366 1.4806 2.2366 2.2366 1.1001 1.1001
H4 2.1526 1.1001 2.2366 1.8617 3.1665 2.5613
H5 2.1526 1.1001 2.2366 1.8617 2.5613 3.1665
H6 2.1526 2.2366 1.1001 3.1665 2.5613 1.8617
H7 2.1526 2.2366 1.1001 2.5613 3.1665 1.8617
Maximum atom distance is 3.1665Å 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 58.982 O1 C3 C2 58.982
C2 O1 C3 62.037
Calculated Bond Angles (degrees) (Involving Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
O1 C2 H4 115.481 O1 C2 H5 115.481
O1 C3 H6 115.481 O1 C3 H7 115.481
C2 C3 H6 119.421 C2 C3 H7 119.421
C3 C2 H4 119.421 C3 C2 H5 119.421
H4 C2 H5 115.596 H6 C3 H7 115.596

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